Molecule_ID,SMILES,InChI_Key
rxn:4:178751:223199,O=C(c1c(Cl)cccc1-c1cccc(C2CCNC2)c1)C(F)(F)F,AXUKUSFWSITRDH-UHFFFAOYSA-N
rxn:4:181259:226191,Fc1ccc(C2CCCC2)cc1-c1ccc(S(F)(F)(F)(F)F)cc1,YQVNEQRRCTUOBJ-UHFFFAOYSA-N
rxn:4:181706:226146,FC1CC(c2ccc(-c3ccc(SC4CCCC4)cc3)cc2)C1,VJESOBVHASSYQV-UHFFFAOYSA-N
rxn:4:183273:223279,c1cc2c(cc1-c1cnc(C3CCCN3)nc1)OCCOCCOCCOCCOCCOCCO2,RXHWTNUDQYWMJO-UHFFFAOYSA-N
rxn:4:188736:228766,CCc1ccc(-c2cc([N+](=O)[O-])c(OC)cc2OC)c(F)n1,MSCQWFJKKXUNEN-UHFFFAOYSA-N
rxn:4:192583:228722,Cc1c(C#N)cncc1-c1cccc(F)c1C(=O)N1CCC1,HMLMSCBWHHKKDD-UHFFFAOYSA-N
rxn:4:193556:226815,Cc1ccc(C(=O)N2CCOCC2)cc1-c1cnc(-c2ccsc2)nc1Cl,NYKDZZOQGUFFQS-UHFFFAOYSA-N
rxn:4:193905:222405,O=C1NC(=O)C(c2cccc(-c3ccc(N4CCCCC4)cc3C3CC3)c2)N1,ATWWFOLFSYXAQY-UHFFFAOYSA-N
rxn:4:194962:222965,CCCC(=O)NCc1ccc(-c2cccnc2S(=O)[O-])cc1,DMVNTQSIXKFQDA-UHFFFAOYSA-M
rxn:4:195210:225300,Fc1nc(OC2CCOCC2)ccc1-c1ccnc(C(F)(F)F)c1Cl,XXGQHZCBEBEACQ-UHFFFAOYSA-N
rxn:4:195288:222922,CC(=O)n1cccc1-c1ccccc1S(=O)(=O)NC(C)(C)C,CPQZNHFJRPPOQH-UHFFFAOYSA-N
rxn:4:196845:227907,CCC(C)c1cncc(-c2ccc(C3CCSCC3)nc2)c1,WWGRKALGJRUVST-UHFFFAOYSA-N
rxn:4:200698:224424,CCCC1CCC(c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(C(=O)OC)c3)cc2)CC1,CLSISQRGSXVMAP-UHFFFAOYSA-N
rxn:4:201588:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(N(C)CCN(C)C)c3)cc2)CC1,YFVMAOXHXVSNCJ-YHBQERECSA-N
rxn:4:202862:223221,COC(=O)Cn1cc(-c2cccc(CNC(C)=O)c2)cn1,YNEPCQMMHAFRQT-UHFFFAOYSA-N
rxn:4:202978:225332,CCOc1ccc(OC(F)(F)F)cc1-c1cnc(C=C[CH+]C(=O)[O-])nc1,BOTSFLKSELLLJW-UHFFFAOYSA-N
rxn:4:202978:228385,Cc1cc(-c2cnc(C=C[CH+]C(=O)[O-])nc2)ccc1[N+](=O)[O-],KUNAJWMRRQPSTR-UHFFFAOYSA-N
rxn:4:203161:228349,CN(C)C(=O)c1cccc([N+](=O)[O-])c1-c1cnn(C2CCOC2)c1,FNLDHLMKHPIOFK-UHFFFAOYSA-N
rxn:4:206043:228131,C[Si](C)(C)C#Cc1cnc(-c2cc(F)cc(CC#N)c2)cn1,XPDHZUXUVXXAJD-UHFFFAOYSA-N
rxn:4:208033:225191,Fc1cc(OC2CCCCC2)ncc1-c1ncc(C(F)F)[nH]1,SNOUXZFDLFWPMI-UHFFFAOYSA-N
rxn:4:208038:222811,CC(C)(C)OC(=O)Nc1cc(-c2cnc(Cl)cc2C#N)cc(Cl)n1,KGVFTXKCWPCIDT-UHFFFAOYSA-N
rxn:4:208249:225163,CCn1nccc1-c1ccccc1C(=O)N1CCOCC1,FEBHEWUTFAJQOX-UHFFFAOYSA-N
rxn:4:208403:225879,Cc1cnc(-c2ccc(N3CCOCC3)cc2F)cc1[N+](=O)[O-],NBUYSNSVVQWIJR-UHFFFAOYSA-N
rxn:4:210106:223008,N#Cc1cnc2c(F)cc(-c3cc(C4CCNCC4)ccc3F)cc2c1Cl,FLLPCGDLNDBDMZ-UHFFFAOYSA-N
rxn:4:217924:222723,Cn1cnnc1-c1cccc(NS(=O)(=O)N2CCOCC2)c1,JIRZLBDTRFPEQB-UHFFFAOYSA-N
rxn:4:218992:223151,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(C(=O)NCC#N)cc4)cn3)C2)CC1,JLBSUJGMEOKGKW-UHFFFAOYSA-N
rxn:4:221453:223239,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cncc(C5CCCN5)c4)cc3)CC2)n1,SIDHSTZBZNNOKO-UHFFFAOYSA-N
rxn:4:180895:222976,Cc1cc(-c2ccccc2C(=O)F)ccc1C(=O)NC1CC1,VQQREKCCVYHFPN-UHFFFAOYSA-N
rxn:4:181705:226064,FC1CC(c2cccc(-c3ccc(C4CCCCC4)cc3)c2)C1,PJQAOYROQGDZDA-UHFFFAOYSA-N
rxn:4:181705:226069,FC1CC(c2cccc(-c3cccc(C4CCCCC4)c3)c2)C1,CBJQQJSOOQCLRM-UHFFFAOYSA-N
rxn:4:181705:226919,FC1CC(c2cccc(-c3cccc(C4CCCC4)c3)c2)C1,JVIGZAYDSMHKJA-UHFFFAOYSA-N
rxn:4:181706:225433,FC1CC(c2ccc(-c3ccc(CSC4CCCC4)cc3)cc2)C1,HEVSDJAKNRCSHP-UHFFFAOYSA-N
rxn:4:181706:226069,FC1CC(c2ccc(-c3cccc(C4CCCCC4)c3)cc2)C1,LZNFYNNIEOOCMX-UHFFFAOYSA-N
rxn:4:188746:228570,FC1(F)CC1COc1ccc(-c2cncc(C3CC3)c2)nc1,HTDZWBQUFZOLFM-UHFFFAOYSA-N
rxn:4:191857:223270,COC(=O)c1c(-c2ccc(F)cc2NC(C)=O)ccn1C,ONRJBZWZYSFFMJ-UHFFFAOYSA-N
rxn:4:194961:223052,CC(C)NC(=O)c1cccc(-c2cncc(S(=O)[O-])c2)c1F,AOLHKASNWUOWSN-UHFFFAOYSA-M
rxn:4:194962:223071,CCS(=O)(=O)NCc1ccc(-c2cccnc2S(=O)[O-])cc1,YYCPNDIPRRWGCQ-UHFFFAOYSA-M
rxn:4:194962:223092,CN(C)S(=O)(=O)Nc1cccc(-c2cccnc2S(=O)[O-])c1,YNSXMCFWQJXNKY-UHFFFAOYSA-M
rxn:4:195055:223021,COCCNC(=O)c1cccc(-c2cocc2S(N)(=O)=O)c1,WZQGIBRGPLVJSL-UHFFFAOYSA-N
rxn:4:195426:222405,CC(=O)c1ccncc1-c1cccc(C2NC(=O)NC2=O)c1,FDINBDBHPSBYKJ-UHFFFAOYSA-N
rxn:4:195578:222405,NS(=O)(=O)c1ccc(-c2cccc(C3NC(=O)NC3=O)c2)cc1,JSNBVKQFFNNKMU-UHFFFAOYSA-N
rxn:4:195579:226567,COC(=O)C(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1,DFUBRFDMFQIVPU-UHFFFAOYSA-N
rxn:4:195591:226332,CS(=O)(=O)c1ncccc1-c1ccccc1C(=O)N1CCC1,WZOIHDCANIJNBF-UHFFFAOYSA-N
rxn:4:195689:223224,CCNC(=O)c1ccc(-c2cccc(F)c2S(N)(=O)=O)cc1,LBURUSDSBWQKQE-UHFFFAOYSA-N
rxn:4:196314:223308,CCNCc1ccccc1-c1ccccc1N1CCOC1=O,BSMXCJORQKRJRA-UHFFFAOYSA-N
rxn:4:196826:228216,Clc1c(-c2ccc(C3CCCCO3)cn2)cncc1C1CC1,VOZXPFIFZFRWPU-UHFFFAOYSA-N
rxn:4:202989:228974,COC(=O)Cc1nn(C)cc1-c1cnn(S(C)(=O)=O)c1,PEWFYIPTJUFVPN-UHFFFAOYSA-N
rxn:4:208127:223029,CC(C)OC(=O)Nc1ccc(-c2ccncc2[N+](=O)[O-])cc1,BIHSFTFMFLTCMQ-UHFFFAOYSA-N
rxn:4:208250:225163,CCc1n[nH]cc1-c1ccccc1C(=O)N1CCOCC1,YCPQWJPLTUMGRP-UHFFFAOYSA-N
rxn:4:208975:226449,CC1(c2ccccc2-c2nccn2C2CCOC2)OCCO1,KHMOHTRYBZFVPT-UHFFFAOYSA-N
rxn:4:208977:226449,CC1(c2ccccc2-c2nccn2C2CCCO2)OCCO1,NASKUHQKLIAPMK-UHFFFAOYSA-N
rxn:4:209804:223285,Cc1ccnc(N2CCOCC2)c1-c1ccccc1NS(C)(=O)=O,SGNADUCOFZXZES-UHFFFAOYSA-N
rxn:4:210690:223355,CNC(=O)c1ccccc1-c1cnn(C)c1C12COCCC1O2,SVBVYKYOQNIQII-UHFFFAOYSA-N
rxn:4:217938:222682,COc1cccc(-c2c(C)nnn2C)c1NC(=O)OC(C)(C)C,MOSWXZKZBADJOF-UHFFFAOYSA-N
rxn:4:179268:225089,CCCCCOc1ccc(-c2ccc(OC3CC3(F)F)cc2)c(F)c1F,BNQNGFBLNZJLMZ-UHFFFAOYSA-N
rxn:4:179813:223289,CNS(=O)(=O)c1ccccc1-c1ccc(C)c(C)c1C(=O)OC,UJXIWPMABMEUFX-UHFFFAOYSA-N
rxn:4:181239:223225,CCNC(=O)c1ccccc1-c1c(F)ccc(F)c1C(C)=O,NAWKKVGWHHWPIK-UHFFFAOYSA-N
rxn:4:181259:225395,CC(C)(C)c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc(C2CC2)c1,NVVPZYMUDPITLQ-UHFFFAOYSA-N
rxn:4:181259:226145,FS(F)(F)(F)(F)c1ccc(-c2ccc(OC3CCCC3)cc2)cc1,GKGFRUCNQBQVIK-UHFFFAOYSA-N
rxn:4:181357:223200,CC(F)(F)c1ccc(-c2ccc(C3CCNC3)cc2)cc1F,FNQXBWWNRUHLEU-UHFFFAOYSA-N
rxn:4:189821:228755,COc1cncc(-c2c(OC)cccc2C(=O)N2CCCC2)c1C,SCISQPVOYOQXBW-UHFFFAOYSA-N
rxn:4:192573:228734,COc1nccc(C)c1-c1ccc(F)cc1C(=O)N1CCC1,HDCKUDVDFSXPNH-UHFFFAOYSA-N
rxn:4:192580:228755,COc1cncc(-c2cnc(OC3CCSC3)c(F)c2)c1C,XJKUNTUSHPZMMI-UHFFFAOYSA-N
rxn:4:192595:228735,COc1cncc(C)c1-c1c(F)cccc1C(=O)N1CCC1,HCXORDKUZVKJOI-UHFFFAOYSA-N
rxn:4:194940:223075,O=S([O-])c1cccc(-c2ccc(NS(=O)(=O)C3CC3)cc2)n1,UJRPSDKPBUYWRX-UHFFFAOYSA-M
rxn:4:194962:223095,CC(=O)Nc1cccc(-c2cccnc2S(=O)[O-])c1[N+](=O)[O-],OTPJUWAOCGFOEO-UHFFFAOYSA-M
rxn:4:195053:222975,Cc1cc(C(=O)NC2CC2)ccc1-c1ccoc1S(N)(=O)=O,FWHATPSODBBCNP-UHFFFAOYSA-N
rxn:4:195053:223020,N#CCCNC(=O)c1ccc(-c2ccoc2S(N)(=O)=O)cc1,VUFIPJOSEYNIOM-UHFFFAOYSA-N
rxn:4:195580:226553,COC(=O)c1c(OC)cccc1-c1cccc(S(N)(=O)=O)c1,XHOWWPDNPWWQCO-UHFFFAOYSA-N
rxn:4:195584:223156,CCNC(=O)c1ccc(F)c(-c2cnccc2S(C)(=O)=O)c1,JWUQGWBCWOLZOQ-UHFFFAOYSA-N
rxn:4:195591:223177,CS(=O)(=O)NCc1ccc(-c2cccnc2S(C)(=O)=O)cc1,NRQVQGRREFJOBR-UHFFFAOYSA-N
rxn:4:195591:223189,CS(=O)(=O)Nc1ccc(-c2cccnc2S(C)(=O)=O)c(F)c1,XRHVXEDJCAMEGB-UHFFFAOYSA-N
rxn:4:195629:225616,Cc1ccc(F)c(-c2ccccc2C(=O)N2CCCC2)c1[N+](=O)[O-],UMMFALKHYAGUHF-UHFFFAOYSA-N
rxn:4:195689:223223,CCNC(=O)c1cccc(-c2cccc(F)c2S(N)(=O)=O)c1,KTHHWOYVBBUQJZ-UHFFFAOYSA-N
rxn:4:195689:223254,CC(=O)NCc1cncc(-c2cccc(F)c2S(N)(=O)=O)c1,FIPPODZXWAYDNE-UHFFFAOYSA-N
rxn:4:201287:228761,COc1cc(-c2cnc(OCC(C)(F)F)c(C#N)c2)cnc1C,RWSOYTZHMKVQNE-UHFFFAOYSA-N
rxn:4:205386:226332,CCn1ncc(-c2ccccc2C(=O)N2CCC2)c1C(C)=O,XUHZTGUHFKYIEO-UHFFFAOYSA-N
rxn:4:208094:222972,CC(C)(C)C(=O)Nc1ccccc1-c1nccn1C(F)(F)F,HUUUSPAUUMKVHV-UHFFFAOYSA-N
rxn:4:208216:225163,CC(=O)c1[nH]ncc1-c1ccccc1C(=O)N1CCOCC1,IGMNOUKCWLPOEK-UHFFFAOYSA-N
rxn:4:208239:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2c[n+]([O-])ccc2[N+](=O)[O-])cc1,XQGLMXBEQDORED-UHFFFAOYSA-N
rxn:4:208288:225163,Cn1c(C(F)F)cnc1-c1ccccc1C(=O)N1CCOCC1,DTIZXRNUNXVFLU-UHFFFAOYSA-N
rxn:4:208977:226415,c1ccc(N2CCOCC2)c(-c2nccn2C2CCCO2)c1,DCUPVXFXPFMCHU-UHFFFAOYSA-N
rxn:4:209803:223355,CNC(=O)c1ccccc1-c1ccc(N2CCOCC2)nc1C,JFHCCPOQSGYKID-UHFFFAOYSA-N
rxn:4:221940:227902,CCc1cc(-c2cnc(OCC3CCN(Cc4nncn4C)CC3)nc2)ccc1C#N,DGNOALYSMZCPQA-UHFFFAOYSA-N
rxn:4:177293:225089,CCCCCOc1ccc(-c2ccc(F)c(OCC(C)C)c2)c(F)c1F,PIBTZNMZHZNJPF-UHFFFAOYSA-N
rxn:4:177484:225089,CCCCCOc1ccc(-c2ccc(OCC3CC(F)(F)C3)cc2)c(F)c1F,ZQSVUFWCBKEBBS-UHFFFAOYSA-N
rxn:4:181259:224426,FS(F)(F)(F)(F)c1ccc(-c2cc(C3CCCCC3)cc(C3CC3)c2)cc1,PQMBGWHZMHGQSY-UHFFFAOYSA-N
rxn:4:181259:226146,FS(F)(F)(F)(F)c1ccc(-c2ccc(SC3CCCC3)cc2)cc1,ZXSYWPILBHUHLM-UHFFFAOYSA-N
rxn:4:181706:225451,FC1CC(c2ccc(-c3ccc(SC4CCCCC4)cc3)cc2)C1,RLTZOJUUDOEBLG-UHFFFAOYSA-N
rxn:4:191379:223174,CCS(=O)(=O)Nc1ccc(-c2ccccc2C(F)(F)C#N)cc1,HZLORGUESJLIEJ-UHFFFAOYSA-N
rxn:4:192580:228748,COc1cc(C)c(-c2cnc(OC3CCSC3)c(F)c2)cn1,QDNMEBGNCLJMDX-UHFFFAOYSA-N
rxn:4:192583:228750,CC(=O)c1cncc(-c2cccc(F)c2C(=O)N2CCC2)c1,CXRRPEWXBZRDPJ-UHFFFAOYSA-N
rxn:4:192595:228705,CN(C)c1ncccc1-c1c(F)cccc1C(=O)N1CCC1,KZVMMRFELWCESE-UHFFFAOYSA-N
rxn:4:194961:223020,N#CCCNC(=O)c1ccc(-c2cncc(S(=O)[O-])c2)cc1,IQLSTAZQUIIVJV-UHFFFAOYSA-M
rxn:4:194962:222963,CCCNC(=O)Cc1ccc(-c2cccnc2S(=O)[O-])cc1,DBKXRVDBPPBJFI-UHFFFAOYSA-M
rxn:4:195053:223028,CCCNC(=O)c1ccc(F)c(-c2ccoc2S(N)(=O)=O)c1,ZYSRGVTXRJIWRJ-UHFFFAOYSA-N
rxn:4:195572:223115,CC(=O)NCCc1ccc(-c2ccncc2S(C)(=O)=O)cc1,HIBIBLIZONBYJW-UHFFFAOYSA-N
rxn:4:195579:226584,CN(C)C(=O)c1ccc(-c2ccccc2S(N)(=O)=O)c(Cl)c1,FLFWMLUYXBGWMW-UHFFFAOYSA-N
rxn:4:195591:226319,CS(=O)(=O)c1ncccc1-c1ccc(C(=O)N2CCC2)cc1,HKPYYJVJDUFZDL-UHFFFAOYSA-N
rxn:4:195657:225616,Cc1cnc(-c2ccccc2C(=O)N2CCCC2)c(C(F)(F)F)c1,IODDLDSEHPDMSL-UHFFFAOYSA-N
rxn:4:195658:225616,Cc1ccnc(-c2ccccc2C(=O)N2CCCC2)c1C(F)(F)F,GZXKRITXEPXSIJ-UHFFFAOYSA-N
rxn:4:196605:228195,Cc1nn(C(C)(C)C)cc1-c1ccccc1N1CCCC1=O,DCQQRKMYHKZKJA-UHFFFAOYSA-N
rxn:4:196994:228601,CC(=O)c1ccccc1-c1c(C)cccc1N1CCOCC1=O,GZLLUMMEUNQVGV-UHFFFAOYSA-N
rxn:4:197031:227803,Cc1cccc(N2CCCCC2=O)c1-c1ccnn1S(=O)(=O)N(C)C,MEXABZBTJASHKB-UHFFFAOYSA-N
rxn:4:202964:226340,CCCOc1cnc(-c2cc(C#N)cc(C3CC3)c2Cl)nc1,VTNZPFMYDKLHFU-UHFFFAOYSA-N
rxn:4:202978:226089,CCN(CC)Cc1ccccc1-c1cnc(C=C[CH+]C(=O)[O-])nc1,PZNWSUPRPBYUJU-UHFFFAOYSA-N
rxn:4:203046:228247,CC(=O)c1ccc(F)c(-c2cc(COS(C)(=O)=O)nn2C)c1,NTUGSTBXQMYQAT-UHFFFAOYSA-N
rxn:4:203161:227553,COC(=O)c1ccc(-c2c(C(=O)N(C)C)cccc2[N+](=O)[O-])c(Cl)c1,SMLDDIHXHUMCDX-UHFFFAOYSA-N
rxn:4:203161:228387,COc1cc(=O)n(C)cc1-c1c(C(=O)N(C)C)cccc1[N+](=O)[O-],DHUMOHHDIXHWLQ-UHFFFAOYSA-N
rxn:4:208122:223022,COCCNC(=O)c1ccc(-c2ncccc2[N+](=O)[O-])cc1,YHOSMFRVAOHUNG-UHFFFAOYSA-N
rxn:4:208130:223023,CN(C)C(=O)NCc1ccc(-c2cnsc2S(N)(=O)=O)cc1,ZCNIRYUXIXEQCK-UHFFFAOYSA-N
rxn:4:209804:223355,CNC(=O)c1ccccc1-c1c(C)ccnc1N1CCOCC1,JYHMWBOIBPHEFU-UHFFFAOYSA-N
rxn:4:179012:226312,CCOc1cccc(F)c1-c1ccccc1C(=O)OC(C)C,AZBVIJHCJQRTTO-UHFFFAOYSA-N
rxn:4:181147:223000,CSc1ccc(-c2ccc(C3CCCNC3)c(F)c2)c(Cl)c1F,ZNHBXRCVGZOVKM-UHFFFAOYSA-N
rxn:4:181637:227761,Fc1ccc(C2OCCO2)c(-c2ccc(F)cc2C(F)(F)F)c1,KFMHWIGGBWWRRE-UHFFFAOYSA-N
rxn:4:183224:227064,CC(C)(C)Oc1ccccc1-c1cccc2c1OC(C)(C)CC2,GEYXVOXOYQGTBX-UHFFFAOYSA-N
rxn:4:183870:229261,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccnc(Cl)c3)cc2)C1,NRRMYXRFCUVYGP-UHFFFAOYSA-N
rxn:4:185754:225153,COc1ccccc1-c1ncc(-c2cncc(OC(C(F)(F)F)C(F)(F)F)c2)cn1,HOBZVTNYHKKOKO-UHFFFAOYSA-N
rxn:4:186346:224386,CC(C)COc1c(F)cc([N+](=O)[O-])cc1-c1cnc(-c2cccc(C(F)(F)F)c2)nc1,CYZAJBDRRXNWTF-UHFFFAOYSA-N
rxn:4:192580:228207,Fc1cc(-c2cc(C3CC3)cnc2F)cnc1OC1CCSC1,YCGBSVSLYUGXFB-UHFFFAOYSA-N
rxn:4:194940:223021,COCCNC(=O)c1cccc(-c2cccc(S(=O)[O-])n2)c1,UBOYXLQCBDADGM-UHFFFAOYSA-M
rxn:4:195689:223263,CNC(=O)c1ccc(F)c(-c2cccc(F)c2S(N)(=O)=O)c1,VHJHLPDIMXOAFA-UHFFFAOYSA-N
rxn:4:196227:226489,Cc1c(-c2ccc(OCCCF)c(Cl)c2)cncc1C1CC1,KKFSVAUWAUGWSW-UHFFFAOYSA-N
rxn:4:197263:222847,N#Cc1cc(-c2cnc3cc(C(F)(F)F)ccc3c2)cc(C2CCCNC2)c1,MGJIXQVXVUXADA-UHFFFAOYSA-N
rxn:4:201844:223137,CCN1CCN(c2cc(OC(F)(F)F)cc(-c3cncc(C4CCCNC4)c3)c2)CC1,QWCJKUOINAZBSZ-UHFFFAOYSA-N
rxn:4:202965:226340,CCCOc1ccc(-c2cc(C#N)cc(C3CC3)c2Cl)nn1,LMYYTCYBXSWTGN-UHFFFAOYSA-N
rxn:4:204915:222803,CCC1Oc2c(OC)cc(-c3ccc(C4CCNC4)c(C(F)(F)F)c3)cc2C2CC(c3ccc(Cl)cc3)=NN12,CHJFKIWZOAMFPO-UHFFFAOYSA-N
rxn:4:209820:223357,CC(=O)Nc1ccccc1-c1c(C)nn(C2CCCCO2)c1C,GQRADIQGLKBUEX-UHFFFAOYSA-N
rxn:4:212746:223879,CCCc1ccc(-c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)C(C)C4)c(N4CCOCC4)c3)c(F)c2F)cc1,FVSJFMZYYJYOJH-UHFFFAOYSA-N
rxn:4:212748:222980,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(CN4CCNCC4)cc3)c2)CCN1C(=O)OC(C)(C)C,MIDGSXKRZKZMIC-UHFFFAOYSA-N
rxn:4:212748:223597,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)c2)CCN1C(=O)OC(C)(C)C,XBSJIEVWUDKAJO-UHFFFAOYSA-N
rxn:4:212748:223754,CC1CCN(CCCOc2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2Cl)CC1,LMMUKZSDJUNBOV-UHFFFAOYSA-N
rxn:4:212748:224846,CCC1CCC(c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,MQGJWPYATDTSTB-UHFFFAOYSA-N
rxn:4:212748:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1cc(CN2CCCCC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,WCZRBKKOLYUDJC-UHFFFAOYSA-N
rxn:4:212748:225542,CCCCCc1ccc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c(F)c1F,WVAQXWHBGYTTPN-UHFFFAOYSA-N
rxn:4:212839:224600,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)c(-c5ccc(C)cc5)cc4F)ccn23)CC1,BFRGCZCANFTHNX-UHFFFAOYSA-N
rxn:4:213214:225430,CCCCOc1cc(C)c(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(CC)CC3)n2)c(C)c1,WWKJQWZGMYRBLT-UHFFFAOYSA-N
rxn:4:214339:222925,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4cc(-c5ccc(C6CNC6)c(C(F)(F)F)c5)ccc43)C2=O)cc1,XYQWKLMHPWCVSQ-UHFFFAOYSA-N
rxn:4:217274:225201,N#Cc1cnc2[nH]cc(-c3ccc(OC4CCCC4)c(F)c3F)cc1-2,LZCNEHZYRUJLRZ-UHFFFAOYSA-N
rxn:4:225274:212748,COCCOc1c(F)cc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c(C)c1F,OULBUBGTFLSJGA-UHFFFAOYSA-N
rxn:4:173535:222741,c1ccc(COc2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc2OCc2ccccc2)cc1,PUHHZBHKSDYEEG-UHFFFAOYSA-N
rxn:4:173551:222389,CC(C)(C)OC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,RWJLWVKOXUNXNY-UHFFFAOYSA-N
rxn:4:173642:222389,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)(C)C)cc12,CXHTYADPMQBKLF-UHFFFAOYSA-N
rxn:4:173661:222389,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)c3ccccc3C)cc12,XXFAKUMXRJLWKR-UHFFFAOYSA-N
rxn:4:189906:224006,COc1cc(CN2CCCC2)ccc1-c1cc2cc(OC(F)(F)F)ccc2nc1OC,ISSUBKLMKWKGCZ-UHFFFAOYSA-N
rxn:4:194517:223200,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4ccc(C5CCNC5)cc4)cc3)nc2c1,WWXRLGXIXGYKBF-UHFFFAOYSA-N
rxn:4:194579:222959,Cc1cc(-c2ccc(-c3cc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)ccc1C1CCNCC1,APSCQSXWERUTQH-UHFFFAOYSA-N
rxn:4:194579:223166,FS(F)(F)(F)(F)c1ccc2cc(-c3ccc(-c4ccc(N5CCNCC5)nc4)cc3)[nH]c2c1,JNNRCUKJZVORHT-UHFFFAOYSA-N
rxn:4:194582:222405,O=C1NC(=O)C(c2cccc(-c3ccc(-c4cc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)cc3)c2)N1,RZRFGUVRHDHLDL-UHFFFAOYSA-N
rxn:4:194582:223200,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C5CCNC5)cc4)cc3)cc2c1,YFDBFXLRECLMQH-UHFFFAOYSA-N
rxn:4:194582:223240,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C5CCNC5)nc4)cc3)cc2c1,NIXCFGZWIJLPLY-UHFFFAOYSA-N
rxn:4:195542:223062,Cc1cc(-c2cnc(C3CCNCC3)cc2F)ccc1N=C=S,CFRYXYUGWRYNHH-UHFFFAOYSA-N
rxn:4:195600:227299,Cc1cc(N=C=S)c(F)cc1-c1cc(F)cc(CN(C)C)c1,AYNGSOSTDAEMLF-UHFFFAOYSA-N
rxn:4:200283:224390,O=[N+]([O-])c1ccc(OCCN2CCC(F)(F)C2)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)c1,JUECMVOMLARRRQ-UHFFFAOYSA-N
rxn:4:202951:223743,COc1cc([N+](=O)[O-])cc(-c2ccc(C)c(OCCCN3CCC(C)CC3)c2)c1C#N,TVNPLRWBERGPLB-UHFFFAOYSA-N
rxn:4:203190:225861,Cc1cnn(-c2ccc(-c3cnc(OCC4CC(F)(F)C4)nc3)c(Cl)c2)c1,JCRLKMRLPGIMAL-UHFFFAOYSA-N
rxn:4:210394:225923,COc1ccc2c(Cl)ncnc2c1-c1cnc(OC2CCCC2)nc1Cl,NLLZYRUVYFAJCY-UHFFFAOYSA-N
rxn:4:212745:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2)CC1,YJSPFHFUHYRPSG-HBPRZLDLSA-N
rxn:4:212745:224351,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,HAXOQTXZGWCBGJ-UHFFFAOYSA-N
rxn:4:212748:222889,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(F)cc(CN4CCNCC4)c3)c2)CCN1C(=O)OC(C)(C)C,NERJNTBPWAVBLS-UHFFFAOYSA-N
rxn:4:212748:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1cc(CN2CCCCC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,HGVCGRJVWQFPLO-UHFFFAOYSA-N
rxn:4:212751:223753,Cc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1OCCCN1CCN(C)CC1,PWMRPWSDNDIKRI-UHFFFAOYSA-N
rxn:4:212839:222854,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CCCNC5)ccc4OC)ccn23)CC1,HUKFWHBPVXFREZ-UHFFFAOYSA-N
rxn:4:212839:224204,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4c(F)cc(OCc5ccccc5)cc4F)ccn23)CC1,SYVQKVMWQOAEQD-UHFFFAOYSA-N
rxn:4:222389:176005,Clc1c(OCc2ccccc2)ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1C1OCCO1,LVCJANDNRQXDBJ-UHFFFAOYSA-N
rxn:4:222646:212748,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1cc(CN2CCCCC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,LTIIJMUQWDJSQY-UHFFFAOYSA-N
rxn:4:223597:212745,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)c2)CCN1C(=O)OC(C)(C)C,CJNTUXTWLUBSGA-UHFFFAOYSA-N
rxn:4:223668:212748,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(OCc4ccccc4)cc3OC(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,DNJUQFQQQFEBFQ-UHFFFAOYSA-N
rxn:4:183775:222389,Cc1csc(SCc2cc(=O)c(OC(=O)c3cc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)ccc3Cl)co2)n1,UZLOTICHMCFMDD-UHFFFAOYSA-N
rxn:4:185581:226031,O=c1c(-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)F)cc2)coc2cc(OCCN3CCOCC3)ccc12,LMQLYVOEOCHZMW-UHFFFAOYSA-N
rxn:4:186425:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2ccc(OC(F)(F)F)cc2)c(C#N)c1,QOYYJLMJZPARAH-UHFFFAOYSA-N
rxn:4:194517:223240,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4ccc(C5CCNC5)nc4)cc3)nc2c1,RWPLZCKJVYXJHD-UHFFFAOYSA-N
rxn:4:194517:223307,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4ccc5c(c4)CCNC5)cc3)nc2c1,KHIMNZAPAVRYBK-UHFFFAOYSA-N
rxn:4:194517:223312,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4ccc(C5CNC5)cc4)cc3)nc2c1,KHAJWSSHHJFUMC-UHFFFAOYSA-N
rxn:4:194579:223200,FS(F)(F)(F)(F)c1ccc2cc(-c3ccc(-c4ccc(C5CCNC5)cc4)cc3)[nH]c2c1,NAYRMLMUZMPFNS-UHFFFAOYSA-N
rxn:4:194582:222959,Cc1cc(-c2ccc(-c3cc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)ccc1C1CCNCC1,GTAPGAKOSUHTHD-UHFFFAOYSA-N
rxn:4:194582:223306,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc5c(c4)CNCC5)cc3)cc2c1,QAVJLUGQYUIVKS-UHFFFAOYSA-N
rxn:4:195146:225456,CN1CCC(c2ccc(-c3ccc(N=C=S)c(F)c3Cl)cc2)CC1,LSBRKXQDWLSALC-UHFFFAOYSA-N
rxn:4:198814:222925,Fc1cc2c(Cl)nccc2cc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,DOHZPBCWUQNECZ-UHFFFAOYSA-N
rxn:4:205660:226134,Cc1c(-c2cnc(OC3CCSC3)nc2)cc(C#N)cc1C1CC1,DNTLJAHRTSCQEE-UHFFFAOYSA-N
rxn:4:205660:227675,COc1cc(-c2cnc(OC3CCSC3)nc2)c(F)c(F)c1C,VTDCHTKZELSNAW-UHFFFAOYSA-N
rxn:4:206042:228209,Cc1cc(Cl)c(-c2ncc(C#C[Si](C)(C)C)cn2)cc1C#N,MHFRCKDEJZXJAL-UHFFFAOYSA-N
rxn:4:206043:228209,Cc1cc(Cl)c(-c2cnc(C#C[Si](C)(C)C)cn2)cc1C#N,TXFIJQIMJZBZKO-UHFFFAOYSA-N
rxn:4:206867:222699,CN1CCN(C(=O)c2cc(F)cc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)c2)CC1,NQDMJPONBWGTCZ-UHFFFAOYSA-N
rxn:4:207843:222629,CCN1CCN(C2CCCc3cc(-c4cc(C5CCCNC5)nc(C(C)(C)C)c4)ccc32)CC1,BGTIXNSXIGSHNR-UHFFFAOYSA-N
rxn:4:212745:223754,CC1CCN(CCCOc2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2Cl)CC1,UNUFRZNQZKCKTN-UHFFFAOYSA-N
rxn:4:212745:223755,CC1CCN(CCCOc2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2F)CC1,RQTBQWBNKVPVBO-UHFFFAOYSA-N
rxn:4:212745:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,WOWCJGBEKIDHEN-CCZUJOCFSA-N
rxn:4:212745:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1cc(CN2CCOCC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,JYKYTFCVXCKHEW-UHFFFAOYSA-N
rxn:4:212748:225234,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(N4CCCCC4)c(F)c3F)c2)CCN1C(=O)OC(C)(C)C,HGTOGMOXCMZDJL-UHFFFAOYSA-N
rxn:4:212751:224352,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(C4CCCOC4)c(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,FPQHTOUGEFHIHM-UHFFFAOYSA-N
rxn:4:212751:224705,CC1CCN(c2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2F)CC1,NMNAJLNYCNTKNH-UHFFFAOYSA-N
rxn:4:212843:226839,CN1CCN(c2ccc(-c3cc(C(F)(F)F)ncc3C#N)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,OKZNFZXXSKUUED-GDLZYMKVSA-N
rxn:4:221757:224771,Cc1ccc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCCC1,VAQXNULOOAFJCP-UHFFFAOYSA-N
rxn:4:221995:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)c(C)n56)n(C)c4=O)cc3)cc2)CC1,NEUNBBLHGJXIQX-UNWRIRMBSA-N
rxn:4:222190:223497,Cc1nc2nc(N(C)C3CN(c4cnccn4)C3)ccc2c(C)c1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,JXFSCLRVVAQALF-UHFFFAOYSA-N
rxn:4:222389:173496,COC(OC)c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1OCc1ccccc1,WVLREYUOVLGKAA-UHFFFAOYSA-N
rxn:4:222389:174496,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)c1,DXYQAEVUEDZZOO-UHFFFAOYSA-N
rxn:4:223849:212748,CCCCCc1ccc(-c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,PPZREEINOVAFLS-UHFFFAOYSA-N
rxn:4:224006:189912,COc1cc(CN2CCC(F)C2)ccc1-c1cc2cc(OC(F)(F)F)ccc2nc1OC,ZSNIXRFPHSYAIT-UHFFFAOYSA-N
rxn:4:173606:222740,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(C(C)C)nc(C2CCCNC2)c1,PAKZUYWMGGCOQR-UHFFFAOYSA-N
rxn:4:173607:222624,CCOC(=O)c1c(C)oc2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc12,DYDZWPORDOWTCF-UHFFFAOYSA-N
rxn:4:173641:222622,CCC(C)c1cc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)C(C)C)cc(C2CCCNC2)n1,XFRSERSHJPGGSM-UHFFFAOYSA-N
rxn:4:177679:223200,Fc1cc(-c2ccc(C3CCNC3)cc2)ccc1-c1ccc(OC(F)(F)F)cc1,AMKFWSYFLXCXMT-UHFFFAOYSA-N
rxn:4:178073:223240,Cc1cc(-c2ccc(C3CCNC3)nc2)ccc1-c1ccc(OC(F)(F)F)cc1,PRDKGKXBYDDQAF-UHFFFAOYSA-N
rxn:4:178631:223000,Fc1cc(-c2ccc(OC(F)F)cc2Cl)ccc1C1CCCNC1,ADGIJJUWHPCEMP-UHFFFAOYSA-N
rxn:4:181992:225900,Cc1c(-c2cc([N+](=O)[O-])ccc2CN(C)C)ccc(-c2ccc(Cl)cc2)c1F,MKIAIWGZHCRFSJ-UHFFFAOYSA-N
rxn:4:192580:226340,N#Cc1cc(-c2cnc(OC3CCSC3)c(F)c2)c(Cl)c(C2CC2)c1,LZLMKZZCSWFAMJ-UHFFFAOYSA-N
rxn:4:192580:227020,Fc1cc(-c2cncc(C#CC3CC3)c2)cnc1OC1CCSC1,ZRYDTRBDFUQNRC-UHFFFAOYSA-N
rxn:4:194517:222404,O=C1NC(=O)C(c2ccc(-c3ccc(-c4nc5cc(S(F)(F)(F)(F)F)ccc5o4)cc3)cc2)N1,IMKBXVNJFNBRGN-UHFFFAOYSA-N
rxn:4:203190:223014,COC(=O)c1cccc2[nH]c(-c3cnc(OCC4CC(F)(F)C4)nc3)cc12,WDPFWWQESVUEMU-UHFFFAOYSA-N
rxn:4:203190:226340,N#Cc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(Cl)c(C2CC2)c1,VRJIVAFOOQTRRP-UHFFFAOYSA-N
rxn:4:206042:228226,Cc1c(Cl)cc(C#N)cc1-c1ncc(C#C[Si](C)(C)C)cn1,BVZMKQAITDWYRE-UHFFFAOYSA-N
rxn:4:207613:224718,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(OCCN5CCOCC5)nc4)cc3)nc2c1,QOPUQODZDWTVFX-UHFFFAOYSA-N
rxn:4:212737:223743,Cc1ccc(-c2cc(CN3CCOCC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OCCCN1CCC(C)CC1,MVTQVXXCHXVGGT-UHFFFAOYSA-N
rxn:4:212745:223495,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)c4ccccc34)c2)CCN1C(=O)OC(C)(C)C,DWUJPXDLBCSUHE-UHFFFAOYSA-N
rxn:4:212745:223879,CCCc1ccc(-c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2F)cc1,CYWOTFAOTDIHSO-UHFFFAOYSA-N
rxn:4:212745:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,HLYVZRHOVCYFGP-IVCFNLRISA-N
rxn:4:212745:224860,CCCOc1ccc2cc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)ccc2c1,VDANIKHGRFDGCQ-UHFFFAOYSA-N
rxn:4:212748:223723,CCC(CC)Oc1ccc(-c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,QUDJJGIXBNJASC-UHFFFAOYSA-N
rxn:4:212748:223743,Cc1ccc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1OCCCN1CCC(C)CC1,XYWPJHSYKJTUET-UHFFFAOYSA-N
rxn:4:212748:223755,CC1CCN(CCCOc2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2F)CC1,GKVGQIVDMKMMKC-UHFFFAOYSA-N
rxn:4:212751:222889,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(F)cc(CN4CCNCC4)c3)c2)CCN1C(=O)OC(C)(C)C,NTWKMRVBFCIDNI-UHFFFAOYSA-N
rxn:4:212839:224562,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(Oc5ccccc5)cc4OC)ccn23)CC1,BNTXBKLEPJINPN-UHFFFAOYSA-N
rxn:4:212839:224949,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OC)c(CN5CCCC5)c4)ccn23)CC1,SFEOXDLFJIJECC-UHFFFAOYSA-N
rxn:4:217277:222803,N#Cc1c(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cnc2[nH]ccc12,UGMSVNWCOGJYFL-UHFFFAOYSA-N
rxn:4:221757:229134,Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)ccc2F)cc1,JMKGTRQHJYRHPG-UHFFFAOYSA-N
rxn:4:221986:224877,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(COC4CCCCC4)cc3)cc2)CC1,DZUFPQVKPCPIRF-UHFFFAOYSA-N
rxn:4:222387:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCOC(Cn5nnc6ncc(-c7cnn(C)c7)nc65)C4)nc3)c(F)cc2C)CC1,NHCCGZYGEFJYAD-UHFFFAOYSA-N
rxn:4:222389:174419,CC(C)Oc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1OCc1ccccc1,NVCCZXFEHRXPPP-UHFFFAOYSA-N
rxn:4:223861:212745,CCCCOc1ccc(-c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,RLNNBERCHNGVGV-UHFFFAOYSA-N
rxn:4:181922:223200,C[Si](C)(C)c1c(F)c(F)c(-c2ccc(C3CCNC3)cc2)c(F)c1F,DFLLPQYNGSCZSG-UHFFFAOYSA-N
rxn:4:193183:224331,COc1cc(C)c(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)c(C)c1S(N)(=O)=O,HESORWFZEMVFRI-UHFFFAOYSA-N
rxn:4:194517:223169,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4cnc(C5CCNCC5)nc4)cc3)nc2c1,KLASZBWQSIRCDA-UHFFFAOYSA-N
rxn:4:194517:223421,CNC(C)c1ccc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4o3)cc2)s1,AWOSILLMJVWZIG-UHFFFAOYSA-N
rxn:4:194582:223000,Fc1cc(-c2ccc(-c3cc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)ccc1C1CCCNC1,ZDPCQKGJEVUCBJ-UHFFFAOYSA-N
rxn:4:195599:223000,Cc1cc(-c2ccc(C3CCCNC3)c(F)c2)c(Cl)cc1N=C=S,SBLUILYGOOLFOJ-UHFFFAOYSA-N
rxn:4:203190:225134,N#Cc1cccc(-c2ncc(-c3cnc(OCC4CC(F)(F)C4)nc3)cn2)c1,AXZDJFQAELJSHZ-UHFFFAOYSA-N
rxn:4:203190:225579,N#Cc1cc(-n2cccc2)ccc1-c1cnc(OCC2CC(F)(F)C2)nc1,VOBJFRISDLFZRU-UHFFFAOYSA-N
rxn:4:203190:228216,FC1(F)CC(COc2ncc(-c3cncc(C4CC4)c3Cl)cn2)C1,LEIZNECWUWGBBV-UHFFFAOYSA-N
rxn:4:205271:224001,N#Cc1ccc(S(N)(=O)=O)cc1-c1cnc(-c2ccc(C(F)(F)F)cc2)c(Cl)c1,MCQNZVUUHQLMQT-UHFFFAOYSA-N
rxn:4:212745:225089,CCCCCOc1ccc(-c2cc(CN3CCOCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c(F)c1F,KJVQYWSYKXQQAC-UHFFFAOYSA-N
rxn:4:212746:223754,CC1CCN(CCCOc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)C(C)C4)c(N4CCOCC4)c3)cc2Cl)CC1,RLXBFSZMWSSLLG-UHFFFAOYSA-N
rxn:4:212747:223754,CC1CCN(CCCOc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4C)c(N4CCOCC4)c3)cc2Cl)CC1,BUOPEORZQRMFCH-UHFFFAOYSA-N
rxn:4:212747:223879,CCCc1ccc(-c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4C)c(N4CCOCC4)c3)c(F)c2F)cc1,NXOUELKWIKKENL-UHFFFAOYSA-N
rxn:4:212748:223551,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(-c4ccc(OCc5ccccc5)cc4)cc3)c2)CCN1C(=O)OC(C)(C)C,IDXVPEWTXQNXOS-UHFFFAOYSA-N
rxn:4:212751:222892,COc1cc(N2CCNCC2)ccc1-c1cc(CN2CCC(F)(F)CC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,PRCZSNGBHIMPSG-UHFFFAOYSA-N
rxn:4:212751:222901,CCCS(=O)(=O)NCc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1,MFFQVKYVJXUFFC-UHFFFAOYSA-N
rxn:4:212751:223743,Cc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1OCCCN1CCC(C)CC1,FUKNYLAXAGNYKA-UHFFFAOYSA-N
rxn:4:212839:224222,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)c(OCc5ccccc5)c(F)c4)ccn23)CC1,GARHFYNBGSVGPM-UHFFFAOYSA-N
rxn:4:212839:224560,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(SCc5cccc(F)c5)cc4)ccn23)CC1,RPDHJSMGNCTHGO-UHFFFAOYSA-N
rxn:4:212839:225007,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(CN5CCCCC5)c4F)ccn23)CC1,XIDDHJRWGDJECT-UHFFFAOYSA-N
rxn:4:212843:224778,CN1CCN(c2ccc(-c3c(F)cc(OC4CCOCC4)cc3F)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,IEAPLCVQOIMDFC-WJOKGBTCSA-N
rxn:4:221121:223514,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,QJFXZWXUBPOLMA-UHFFFAOYSA-N
rxn:4:221121:223728,CCCCCC1CCC(c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)c2)CC1,INNGOQXRFFKCPS-UHFFFAOYSA-N
rxn:4:221757:224849,Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCCC3)cc(C3CC3)c2)cc1,GCUAGGDOQLAVEK-UHFFFAOYSA-N
rxn:4:221986:224780,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C4CCOC4)c(C(F)(F)F)c3)cc2)CC1,JUWLTWCSAXPEJM-UHFFFAOYSA-N
rxn:4:222126:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(Cn2c(CN3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,CPZNCJVEXXFOJC-UHFFFAOYSA-N
rxn:4:224217:212748,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(OCc4ccccc4)c(F)c3F)c2)CCN1C(=O)OC(C)(C)C,JNNSIINOPCSRQD-UHFFFAOYSA-N
rxn:4:173641:222741,Cc1oc2cc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,MOYVZCYTIGLBLP-UHFFFAOYSA-N
rxn:4:177679:223062,Fc1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1ccc(OC(F)(F)F)cc1,BSBIPYZBFVTSKJ-UHFFFAOYSA-N
rxn:4:194579:222404,O=C1NC(=O)C(c2ccc(-c3ccc(-c4cc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)cc3)cc2)N1,OBQUPRVGCASGLR-UHFFFAOYSA-N
rxn:4:194579:223142,FS(F)(F)(F)(F)c1ccc2cc(-c3ccc(-c4ccc(C5CCCNC5)nc4)cc3)[nH]c2c1,JTCAIGNXNXXYGT-UHFFFAOYSA-N
rxn:4:194579:223147,FS(F)(F)(F)(F)c1ccc2cc(-c3ccc(-c4ccc(C5CNCCO5)cc4)cc3)[nH]c2c1,IFXHSZKFRYWYAO-UHFFFAOYSA-N
rxn:4:202951:225182,COc1cc([N+](=O)[O-])cc(-c2ccnc(OC3CCCCC3)c2Cl)c1C#N,MTXRIPXYZVGUGP-UHFFFAOYSA-N
rxn:4:210106:226480,CCCCOc1ccc(-c2cc(F)c3ncc(C#N)c(Cl)c3c2)c(F)n1,PPELEDJBPQYKMF-UHFFFAOYSA-N
rxn:4:212740:224061,CCCC1CCC(c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,COPJPTKDRORBAH-UHFFFAOYSA-N
rxn:4:212740:224741,COc1cc(C2OCCO2)cc(OC)c1-c1cc(CN2CCCCC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,FBQGYJCBJFHLSG-UHFFFAOYSA-N
rxn:4:212745:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1cc(CN2CCOCC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,LFRHFYCRBVECMZ-UHFFFAOYSA-N
rxn:4:212745:223724,CCCC(C)Oc1ccc(-c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,LFTYLGOMQJQLJN-UHFFFAOYSA-N
rxn:4:212745:224170,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(OCCCN4CCCC4)c(Cl)c3)c2)CCN1C(=O)OC(C)(C)C,WUFJGMPGICEMFM-UHFFFAOYSA-N
rxn:4:212745:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1cc(CN2CCOCC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,TUXVUXXCAARRNB-UHFFFAOYSA-N
rxn:4:212748:222701,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,WOZNFVYJJAEPAJ-UHFFFAOYSA-N
rxn:4:212748:222702,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,AXLSIMOJDBGGSP-UHFFFAOYSA-N
rxn:4:212748:222741,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c2)CCN1C(=O)OC(C)(C)C,JQQMAYMBIORNIS-UHFFFAOYSA-N
rxn:4:212748:223511,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc4c(ccn4-c4ccc(-c5ccccc5)cc4)c3)c2)CCN1C(=O)OC(C)(C)C,QKJMDIYPORKJNY-UHFFFAOYSA-N
rxn:4:212748:223563,COc1cc(COc2c(C)cc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2C)cc(OC)c1,LSTVQRDSDYQYBY-UHFFFAOYSA-N
rxn:4:212748:224411,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(S(=O)(=O)N(C)C)cc3C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,WDKFYPNHXFEGPY-UHFFFAOYSA-N
rxn:4:212748:224793,CC(C)COc1ncc(C(F)(F)F)cc1-c1cc(CN2CCCCC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,UANRVAHWZOHERT-UHFFFAOYSA-N
rxn:4:212748:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,MQGJWPYATDTSTB-IVCFNLRISA-N
rxn:4:212748:224919,Cc1ccc(-c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2)cc1,KWAVDTMDZODBIC-UHFFFAOYSA-N
rxn:4:212751:223786,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(OCCCN4CCN(C)CC4)c(Cl)c3)c2)CCN1C(=O)OC(C)(C)C,MKZJAQMGMMHWDS-UHFFFAOYSA-N
rxn:4:212751:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1cc(CN2CCC(F)(F)CC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,WIZWMBGEMLFQKB-UHFFFAOYSA-N
rxn:4:212761:223557,COC(=O)Cn1c(=NC(=O)c2ccc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)s2)sc2cc(S(N)(=O)=O)ccc21,ZXHQIAJYAUSZHN-UHFFFAOYSA-N
rxn:4:212767:223570,COCCn1c(=NC(=O)c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)s2)sc2cc(S(N)(=O)=O)ccc21,HSEGHZAXZIIDHR-UHFFFAOYSA-N
rxn:4:212839:225770,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4c(F)cc(OCC5CC5)cc4F)ccn23)CC1,FRNYRXLOOZIDEM-UHFFFAOYSA-N
rxn:4:212843:225387,CN1CCN(c2ccc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3F)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,YWZGQQZWJVTXPZ-HHHXNRCGSA-N
rxn:4:214388:223743,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C)c(OCCCN5CCC(C)CC5)c4)c(OC)cc12)CC3,LXUCKTRWGWJBIJ-UHFFFAOYSA-N
rxn:4:221786:224015,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCOCC5)c(C)cc4F)cc3)c(=O)n2C)cc1C,GFLVIQXFDXLXEX-UHFFFAOYSA-N
rxn:4:222389:174494,COc1ccc(C(=O)Oc2cc(C(C)C)c(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2C)cc1,XCTLMXGCZQSXJG-UHFFFAOYSA-N
rxn:4:226057:212748,CCCCCCc1ccc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1,YEAWMLRSHRXWPV-UHFFFAOYSA-N
rxn:4:177679:223142,Fc1cc(-c2ccc(C3CCCNC3)nc2)ccc1-c1ccc(OC(F)(F)F)cc1,QEEAZDKVOKDNFS-UHFFFAOYSA-N
rxn:4:194582:223239,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4cncc(C5CCCN5)c4)cc3)cc2c1,MYBDFJQQRNOSDZ-UHFFFAOYSA-N
rxn:4:195598:223002,Cc1c(N=C=S)ccc(-c2ccc(C3CCNCC3)cc2F)c1Cl,FPWZTGDUKIUTKF-UHFFFAOYSA-N
rxn:4:203190:226155,CC(=O)c1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc(C2CC2)c1,MSACZJVSGJKPML-UHFFFAOYSA-N
rxn:4:203190:228209,Cc1cc(Cl)c(-c2cnc(OCC3CC(F)(F)C3)nc2)cc1C#N,BFYVFDSLHNQRKA-UHFFFAOYSA-N
rxn:4:205280:225201,N#Cc1cc(F)c(S(N)(=O)=O)cc1-c1ccc(OC2CCCC2)c(F)c1F,BIILBTXFGJFNDW-UHFFFAOYSA-N
rxn:4:207613:223240,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C5CCNC5)nc4)cc3)nc2c1,ASRFRNLLQWHNGE-UHFFFAOYSA-N
rxn:4:212737:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,DDXILZGMRIIKDR-UNWRIRMBSA-N
rxn:4:212740:223597,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)c2)CC1,HEVPMIPIZXWMRQ-UHFFFAOYSA-N
rxn:4:212740:223754,CC1CCN(CCCOc2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)CC1,AWWKKARTNCYLKD-UHFFFAOYSA-N
rxn:4:212745:222462,CC1CN(c2cc(CN3CCOCC3)cc(-c3c(F)cc4nc(NC(=O)OC(C)(C)C)sc4c3F)c2)CCN1C(=O)OC(C)(C)C,IQMZENRRPXIBDC-UHFFFAOYSA-N
rxn:4:212745:222888,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(CN4CCNCC4)c(Cl)c3)c2)CCN1C(=O)OC(C)(C)C,SWCOBSLOQYQNRP-UHFFFAOYSA-N
rxn:4:212745:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2)CC1,KDMIUYLIOGBPAI-CCZUJOCFSA-N
rxn:4:212745:224702,Cc1c(-c2cc(CN3CCOCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc(F)c(OC2CCCC2)c1F,TXWNTRCVTQNNGU-UHFFFAOYSA-N
rxn:4:212748:223598,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c2)CCN1C(=O)OC(C)(C)C,UADSSEIFBCOGBL-UHFFFAOYSA-N
rxn:4:212748:224351,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,GDWKALUGVNXFGO-UHFFFAOYSA-N
rxn:4:212751:222502,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(CNC(=O)c4cc(F)ccc4F)cc3)c2)CCN1C(=O)OC(C)(C)C,NQBQCEZOPGRSLS-UHFFFAOYSA-N
rxn:4:212751:222705,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C4CCNCC4)cc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,VOYPYDSCAKOWPS-UHFFFAOYSA-N
rxn:4:212751:222720,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(N4CCNCC4)cc3C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,JXJMGIXSPACOLW-UHFFFAOYSA-N
rxn:4:212751:222888,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(CN4CCNCC4)c(Cl)c3)c2)CCN1C(=O)OC(C)(C)C,CZQLFZIMPHSSJH-UHFFFAOYSA-N
rxn:4:212751:222997,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(Cl)cc3C3CCCNC3)c2)CCN1C(=O)OC(C)(C)C,KXFNHPLSNNUCKK-UHFFFAOYSA-N
rxn:4:212751:223661,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C(=O)OCc4ccccc4)cc([N+](=O)[O-])c3)c2)CCN1C(=O)OC(C)(C)C,WUQVPUMKCZSLPM-UHFFFAOYSA-N
rxn:4:212751:223841,Cc1cc(F)c(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1S(=O)(=O)N1CCN(C)CC1,VDMVJQDNPHNVDH-UHFFFAOYSA-N
rxn:4:212751:224782,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)c2)CCN1C(=O)OC(C)(C)C,CGRFESTZPDOZLD-UHFFFAOYSA-N
rxn:4:212751:225274,COCCOc1c(F)cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c(C)c1F,IQMPYAIPOPWXRL-UHFFFAOYSA-N
rxn:4:212751:225656,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cncc(N4CCCCC4C)c3)c2)CCN1C(=O)OC(C)(C)C,MIAAYJIKSZKZAK-UHFFFAOYSA-N
rxn:4:212759:223570,COCCn1c(=NC(=O)c2ccc(C#N)cc2)sc2cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)ccc21,UOCQVTWUWQHLPO-UHFFFAOYSA-N
rxn:4:212839:224511,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OCc5ccccc5)cc4F)ccn23)CC1,YUTZRHKQIGDWFO-UHFFFAOYSA-N
rxn:4:222126:224352,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C4CCCOC4)c(C(F)(F)F)c3)cc2)CC1,BARAZYWTKWFIBN-UHFFFAOYSA-N
rxn:4:225275:212748,COCCOc1c(F)c(C)cc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c1F,BWWZUOSSWQQZFA-UHFFFAOYSA-N
rxn:4:203190:226221,Cc1c(Cl)c(-c2cnc(OCC3CC(F)(F)C3)nc2)cc2cccnc12,XULPQCBXIUJQIA-UHFFFAOYSA-N
rxn:4:203190:226337,N#Cc1cc(C2CC2)cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c1Cl,PVVOFHZCQCHMHM-UHFFFAOYSA-N
rxn:4:212737:223510,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c2)CC1,LNUWRWFVJRBRBJ-UHFFFAOYSA-N
rxn:4:212737:223598,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c2)CC1,JILMVWAGADBWFK-UHFFFAOYSA-N
rxn:4:212741:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)c(N2CCCC2)c1,YJKBHNNOXLLINB-UHFFFAOYSA-N
rxn:4:212742:222758,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCC3)c2)ccc1NC(=O)OC(C)(C)C,GNEOIBGHDAIHIZ-UHFFFAOYSA-N
rxn:4:212742:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2C)c(N2CCCC2)c1,GJDHKPQUHSRUCY-UHFFFAOYSA-N
rxn:4:212744:223597,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)c2)CC1,BDFQJRQSNGZZFM-UHFFFAOYSA-N
rxn:4:212744:223995,CN1CCN(c2cc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc(C(F)(F)F)c2)CC1,KXMXXHKIWPDNFX-UHFFFAOYSA-N
rxn:4:212746:223497,CC(c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c(N3CCOCC3)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,MBAHXSKSXGQJFG-UHFFFAOYSA-N
rxn:4:212747:223497,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1N1CCOCC1,ILOOBTMXTJQSKN-UHFFFAOYSA-N
rxn:4:212747:223570,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1N1CCOCC1,QFNQBWQCFFRWII-UHFFFAOYSA-N
rxn:4:212748:222706,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(C4CCNCC4)ccc3C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,GWAVZILHCXNXEZ-UHFFFAOYSA-N
rxn:4:212750:224238,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(F)c(OCc3ccccc3)c2F)cc1N1CCCCC1,OINVLHUJEARWDZ-UHFFFAOYSA-N
rxn:4:212751:222621,CC(C)Cc1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc(C2CCCNC2)n1,RYJVYCBKTBMIGR-UHFFFAOYSA-N
rxn:4:212751:222622,CCC(C)c1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc(C2CCCNC2)n1,LQPWQABTTLSJHG-UHFFFAOYSA-N
rxn:4:212751:222848,CCc1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc(C2CCCNC2)n1,BAVZOQAGAXEDQN-UHFFFAOYSA-N
rxn:4:212767:224283,COCCn1c(=NC(=O)c2ccc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)s2)sc2cc(S(N)(=O)=O)ccc21,CWVQCYXBYDCFNP-UHFFFAOYSA-N
rxn:4:212767:224662,COCCn1c(=NC(=O)c2ccc(-c3cc(F)ccc3CN3CCN(C)CC3)s2)sc2cc(S(N)(=O)=O)ccc21,OPGKELKXYYELNY-UHFFFAOYSA-N
rxn:4:212832:224192,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3cc(F)ccc3CN3CCN(CC)CC3)cc1)SCC2,BSAYRRGAOYUOFP-UHFFFAOYSA-N
rxn:4:212832:224193,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3ccc(F)c(CN4CCN(CC)CC4)c3)cc1)SCC2,GZVRKARTIOXURA-UHFFFAOYSA-N
rxn:4:213480:222741,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(C5CC5)nc(C5CCCNC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,KTBMKLWXECHRBS-MNTGJPJFSA-N
rxn:4:222110:223538,CC#CCn1c(-c2ccnc3c2cc(C(F)F)n3S(=O)(=O)c2ccccc2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,BGCREGMPRRFDCY-UHFFFAOYSA-N
rxn:4:222126:223497,CC(c1ccc(-c2ccc(Cn3c(CN4CCN(C)CC4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,MLMNJJSMCILAHZ-UHFFFAOYSA-N
rxn:4:222126:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(Cn4c(CN5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)ncc21,QTZVCPZCUDLKGB-UHFFFAOYSA-N
rxn:4:222130:223542,CCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)ccc3OC)nnc12,IEFGJLJURMMRQU-UHFFFAOYSA-N
rxn:4:222130:223600,CCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cn(S(=O)(=O)c5ccc(C)cc5)c5ncc(Cl)cc45)ccc3OC)nnc12,ANIUNSSFXHYKKG-UHFFFAOYSA-N
rxn:4:222132:223603,COc1ccc(-c2cc(OCc3cccnc3)c(OC(F)(F)F)cc2Cl)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,CCMRGHORFVYAQE-UHFFFAOYSA-N
rxn:4:222135:223537,COc1ccc(-c2cc3cc(OC(F)(F)F)ccc3n2C(=O)OC(C)(C)C)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,OYLZLAQDQIHFFZ-UHFFFAOYSA-N
rxn:4:222138:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCN5CCOCC5)c(=O)n4C)cc3)c(F)ncc21,KTPDNMZAEGFKFF-UHFFFAOYSA-N
rxn:4:222143:223541,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,FZFTVNFLRAYJQU-UHFFFAOYSA-N
rxn:4:222143:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCN5CCCCC5)c(=O)n4C)cc3)cc2C)c1,RZWCGTOATSQFBL-UHFFFAOYSA-N
rxn:4:222144:223588,Cc1cc(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,UUMSCNRSFDEEJL-UHFFFAOYSA-N
rxn:4:222202:228827,Cc1cc(F)c(F)cc1-c1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1,MHEBTZWDCNGUQP-UHFFFAOYSA-N
rxn:4:173563:222389,COC(=O)c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(-c2ccc(F)cc2F)cc1OCc1ccccc1,WOULHUFNACKVIO-UHFFFAOYSA-N
rxn:4:173608:222389,COc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc2cc(C(=O)OCC(=O)c3ccc(Cl)cc3)c(=O)oc12,NTTPAYZSXMKGMK-UHFFFAOYSA-N
rxn:4:173641:222389,Cc1oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,DZLHWPZTTCGGSC-UHFFFAOYSA-N
rxn:4:173675:222630,Cc1oc2cc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,RWCJUXXFHKGNEL-UHFFFAOYSA-N
rxn:4:173675:222740,Cc1oc2cc(-c3cc(C(C)C)nc(C4CCCNC4)c3)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,IATVGUKMSKMCTH-UHFFFAOYSA-N
rxn:4:194167:225201,COC(=O)c1c(F)cc(-c2ccc(OC3CCCC3)c(F)c2F)c2[nH]ccc12,SSOQTLJOGJSKMV-UHFFFAOYSA-N
rxn:4:206043:228226,Cc1c(Cl)cc(C#N)cc1-c1cnc(C#C[Si](C)(C)C)cn1,SBFNPKAGMNTVHW-UHFFFAOYSA-N
rxn:4:212734:224670,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(-c3cc(CN4CCN(C)CC4)ccc3F)c2)SC1=S,WMCSPNCUJNYKJB-UHFFFAOYSA-N
rxn:4:212738:223553,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)cc3)cc2N2CCOCC2)CC1,MUDQZINOFJHLOR-UHFFFAOYSA-N
rxn:4:212741:224667,CC1CN(Cc2ccc(-c3ccc(Cl)c(CN4CCN(C)CC4)c3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,TUYKRDKOJWNJFD-UHFFFAOYSA-N
rxn:4:212741:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)c(N2CCCC2)c1,YGPMRVCZHZVDBP-UHFFFAOYSA-N
rxn:4:212744:223495,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)c4ccccc34)c2)CC1,HMTQBXMGAGPEFJ-UHFFFAOYSA-N
rxn:4:212744:223510,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c2)CC1,JMAJIUJHOOAQDU-UHFFFAOYSA-N
rxn:4:212745:222705,CC1CN(c2cc(CN3CCOCC3)cc(-c3cc(C4CCNCC4)cc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,QCEBKRGJEMQEFD-UHFFFAOYSA-N
rxn:4:212745:223723,CCC(CC)Oc1ccc(-c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,KDUDZYZOBPZNBO-UHFFFAOYSA-N
rxn:4:212745:224242,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(OCc4ccc(Cl)cc4)cc3F)c2)CCN1C(=O)OC(C)(C)C,OMZFYCCWQUTDHD-UHFFFAOYSA-N
rxn:4:212748:222524,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)c2)CCN1C(=O)OC(C)(C)C,QFWFTGKZAQDLDD-UHFFFAOYSA-N
rxn:4:212748:222719,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,VWTBMECUSDBSLA-UHFFFAOYSA-N
rxn:4:212748:222721,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(C4CCNCC4)nc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,TVPQUPBWZHHFGI-UHFFFAOYSA-N
rxn:4:212748:224227,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(F)c(OCc4ccccc4)cc3F)c2)CCN1C(=O)OC(C)(C)C,RMZAIPJCHSSVLC-UHFFFAOYSA-N
rxn:4:212751:222742,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C4CCNCC4)nc(C4CC4)c3)c2)CCN1C(=O)OC(C)(C)C,UNCRSYIKVTXAHY-UHFFFAOYSA-N
rxn:4:212751:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc(CN2CCC(F)(F)CC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,DBEVZJXHYSQIHR-UHFFFAOYSA-N
rxn:4:212751:224860,CCCOc1ccc2cc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)ccc2c1,RNAMSCWUYHPTQX-UHFFFAOYSA-N
rxn:4:212761:222623,CCC(C)c1cc(-c2ccc(C(=O)N=c3sc4cc(S(N)(=O)=O)ccc4n3CC(=O)OC)s2)cc(C2CCNCC2)n1,GFLVLFRGTPLZOX-UHFFFAOYSA-N
rxn:4:212839:222621,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(CC(C)C)nc(C5CCCNC5)c4)ccn23)CC1,BXIGZZZCKDOKNO-UHFFFAOYSA-N
rxn:4:212846:222741,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(C6CC6)nc(C6CCCNC6)c5)cc4)n(Cc4ccco4)c(=O)c23)C1,CXRZDAGQYGQGKH-UHFFFAOYSA-N
rxn:4:213425:222741,O=C(CCn1ccc2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc21)N1CCC(c2noc3cc(F)ccc23)CC1,CWXYNBRNHLFPDG-UHFFFAOYSA-N
rxn:4:213481:222741,COC12CC(COC(=O)c3cncc(-c4cc(C5CC5)nc(C5CCCNC5)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,QBMZMJSGAOHKOZ-UHFFFAOYSA-N
rxn:4:221786:223699,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C(F)(F)F)cc3)c(=O)n2C)cc1C,KGRVWYDMTSQRML-UHFFFAOYSA-N
rxn:4:222110:223570,CC#CCn1c(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,HXLJONGJDIUALZ-UHFFFAOYSA-N
rxn:4:222126:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1ccc(Cn2c(CN3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,LBHAFCGPLJBACC-UHFFFAOYSA-N
rxn:4:222130:223570,CCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)ccc3OC)nnc12,ALHIZHSXCSFUDZ-UHFFFAOYSA-N
rxn:4:222135:223599,COc1ccc(-c2cc3cc(C(F)(F)F)ccc3n2C(=O)OC(C)(C)C)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,IQOBKVPTFSGBQG-UHFFFAOYSA-N
rxn:4:222138:223541,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,XBTFWJHKQBEPRF-UHFFFAOYSA-N
rxn:4:222142:223527,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,QLRZAEQAJWKQMZ-UHFFFAOYSA-N
rxn:4:222142:223604,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1,KOHXEOXQOIPJLQ-UHFFFAOYSA-N
rxn:4:222387:223676,Cn1cc(-c2cnc3nnn(CC4CN(c5ncc(-c6cc(OCc7ccccc7)cc(C(F)(F)F)c6F)cn5)CCO4)c3n2)cn1,LQTINXAAZPFGST-UHFFFAOYSA-N
rxn:4:173600:222389,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)CC)cc12,WNONKGVJMCZFEE-UHFFFAOYSA-N
rxn:4:173600:222622,CCOC(=O)c1c(C)oc2cc(-c3cc(C(C)CC)nc(C4CCCNC4)c3)c(OC(=O)CC)cc12,BEQHONHEBIPDQN-UHFFFAOYSA-N
rxn:4:173639:222389,O=C(COc1ccc(Cl)cc1)Oc1cc(-c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)c2oc(=O)sc2c1,NFIYFRNWSZPGQR-UHFFFAOYSA-N
rxn:4:174386:222389,COc1cc(OCc2ccccc2)c(C(C)=O)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,OBRSCDAARCJVCR-UHFFFAOYSA-N
rxn:4:174524:222389,COc1cc(C=Cc2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2C)c(C(F)(F)F)cc1C1OCCO1,QIYIPBXEEJHAAN-UHFFFAOYSA-N
rxn:4:174607:222389,COC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)c3ccccc3C)cc12,XCDCDWPIOOIHFL-UHFFFAOYSA-N
rxn:4:205271:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1cc(S(N)(=O)=O)ccc1C#N,ITPLKYNANNZGCU-UHFFFAOYSA-N
rxn:4:212734:223589,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3C)c2)SC1=S,ZCTKZHPUQIVSLN-UHFFFAOYSA-N
rxn:4:212734:224669,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(-c3ccc(CN4CCN(C)CC4)cc3F)c2)SC1=S,UJKVHUMINFDPQC-UHFFFAOYSA-N
rxn:4:212742:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2C)c(N2CCCC2)c1,JHOUOBVHSZSKID-UHFFFAOYSA-N
rxn:4:212744:223996,CN1CCN(c2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(C(F)(F)F)c2)CC1,OYVUDLXQSSCASK-UHFFFAOYSA-N
rxn:4:212744:224667,CN1CCN(Cc2cc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2Cl)CC1,GDGOSXDUHXWEOG-UHFFFAOYSA-N
rxn:4:212745:222701,CC1CN(c2cc(CN3CCOCC3)cc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,QHXXINADUMGLIZ-UHFFFAOYSA-N
rxn:4:212745:222719,CC1CN(c2cc(CN3CCOCC3)cc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,YSLOVXQJGBGTNE-UHFFFAOYSA-N
rxn:4:212745:224782,CC1CN(c2cc(CN3CCOCC3)cc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)c2)CCN1C(=O)OC(C)(C)C,NHIASEFTSUQIPY-UHFFFAOYSA-N
rxn:4:212748:223503,CC1CN(c2cc(CN3CCCCC3)cc(-c3c(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)c2)CCN1C(=O)OC(C)(C)C,KHTYJORHIMQNCC-UHFFFAOYSA-N
rxn:4:212748:223995,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(N4CCN(C)CC4)cc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,QYELOYODFGLFAT-UHFFFAOYSA-N
rxn:4:212750:222702,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cc(C3CCCNC3)ccc2C(F)(F)F)cc1N1CCCCC1,FOWRFZZOVFTLBM-UHFFFAOYSA-N
rxn:4:212751:222741,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c2)CCN1C(=O)OC(C)(C)C,YXIRNKNLEQVTFT-UHFFFAOYSA-N
rxn:4:212751:222890,COc1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc(C2CCCNC2)n1,ZYTREHKIOGBCBC-UHFFFAOYSA-N
rxn:4:212767:224698,COCCn1c(=NC(=O)c2ccc(-c3cnc(Cl)c(-c4ccccc4OC)c3)s2)sc2cc(S(N)(=O)=O)ccc21,GRJJEJWHPZCKDP-UHFFFAOYSA-N
rxn:4:212790:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)sc(=NC(=O)c3cc5cc([N+](=O)[O-])ccc5s3)n4CCOC)c2)CC1,UIXPGKIZXMSMCJ-UHFFFAOYSA-N
rxn:4:212790:224198,CCN1CCN(Cc2ccc(-c3ccc4c(c3)sc(=NC(=O)c3cc5cc([N+](=O)[O-])ccc5s3)n4CCOC)c(F)c2)CC1,HRGGURHHVUOYEZ-UHFFFAOYSA-N
rxn:4:212808:223527,CCCCN1C(=O)C(=Cc2c(Oc3ccc(-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc3ccccn3c2=O)SC1=S,LZZOEIKBKLWDEA-UHFFFAOYSA-N
rxn:4:212839:222741,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CC5)nc(C5CCCNC5)c4)ccn23)CC1,UHVBXIUGTUGMIT-UHFFFAOYSA-N
rxn:4:212843:222647,Cc1cc(-c2ccc(N3CCN(C)CC3)c3c2CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C3)c(C)cc1NC(=O)OC(C)(C)C,NHOLRJZEPAXWPN-UUWRZZSWSA-N
rxn:4:213445:222741,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(C7CC7)nc(C7CCCNC7)c6)c(OC)ccc5c4)nc23)cc1OC,PWALJIQBPYWEGE-UHFFFAOYSA-N
rxn:4:221786:222776,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(CN5CCC(O)CC5)cc4F)cc3)c(=O)n2C)cc1C,YMPFEOCXRHWSHN-UHFFFAOYSA-N
rxn:4:222126:223597,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cc2)CC1,RGFLEFXFVYVACX-UHFFFAOYSA-N
rxn:4:222142:223530,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,AANFWRYZECBHDV-UHFFFAOYSA-N
rxn:4:222142:223570,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,HKTALZKQMIGJKB-UHFFFAOYSA-N
rxn:4:222144:223527,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,XTBJZKFVFQGNMZ-UHFFFAOYSA-N
rxn:4:222144:223541,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,VZHQAGAXUKMTOB-UHFFFAOYSA-N
rxn:4:173607:222466,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc12,PVUJOPNZGNANMY-UHFFFAOYSA-N
rxn:4:173607:222740,CCOC(=O)c1c(C)oc2cc(-c3cc(C(C)C)nc(C4CCCNC4)c3)c(OC(=O)C(C)C)cc12,IAZMGTMUKMTGJZ-UHFFFAOYSA-N
rxn:4:173641:222538,Cc1oc2cc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,JFLHXYQPYHBBND-UHFFFAOYSA-N
rxn:4:173675:222628,Cc1oc2cc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,FGKZBRHBUHPNDR-UHFFFAOYSA-N
rxn:4:194579:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2cc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1,OUGWKXGZCGSRFC-UHFFFAOYSA-N
rxn:4:194582:223280,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4cnc(C5CCNC5)nc4)cc3)cc2c1,ZLWRFXYAPFTBMY-UHFFFAOYSA-N
rxn:4:201187:223688,CCCOc1cccc(C2c3c(oc4ccc(-c5cc(S(=O)(=O)N6CCN(CC)CC6)ccc5OC)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,BDURYNSFUAMRMD-UHFFFAOYSA-N
rxn:4:206032:226340,N#Cc1cc(-c2ccc(OC3CCCC3)nn2)c(Cl)c(C2CC2)c1,PLPNQGIHZYHJBM-UHFFFAOYSA-N
rxn:4:206043:228224,Cc1cc(C#N)cc(-c2cnc(C#C[Si](C)(C)C)cn2)c1Cl,XIBVCGHXKBVAKC-UHFFFAOYSA-N
rxn:4:212737:223728,CCCCCC1CCC(c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,DDXILZGMRIIKDR-UHFFFAOYSA-N
rxn:4:212741:222776,CC1CN(Cc2ccc(-c3ccc(CN4CCC(O)CC4)cc3F)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,ICUGZXAQZVBGSG-UHFFFAOYSA-N
rxn:4:212741:223587,COc1cc(COc2ccc(F)c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)C(C)C4)c(N4CCCC4)c3)c2F)cc(OC)c1,SDZABFOHIWMYJG-UHFFFAOYSA-N
rxn:4:212742:222780,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cc(F)cc(C(=O)NCCN(C)C)c2)cc1N1CCCC1,IQOXNGLCAODDDM-UHFFFAOYSA-N
rxn:4:212742:224666,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(F)c(CN3CCN(C)CC3)c2)cc1N1CCCC1,YKZPDSPFYBNCRJ-UHFFFAOYSA-N
rxn:4:212744:222700,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)c2)CC1,YVFGDADOJAGXHW-UHFFFAOYSA-N
rxn:4:212744:222740,CC(C)c1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C2CCCNC2)n1,YIDUTSPQAYENTD-UHFFFAOYSA-N
rxn:4:212745:222699,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,MMYSZEYDOGJNOP-UHFFFAOYSA-N
rxn:4:212745:222742,CC1CN(c2cc(CN3CCOCC3)cc(-c3cc(C4CCNCC4)nc(C4CC4)c3)c2)CCN1C(=O)OC(C)(C)C,KMWOPKACMKCMEW-UHFFFAOYSA-N
rxn:4:212746:223587,COc1cc(COc2ccc(F)c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)C(C)C4)c(N4CCOCC4)c3)c2F)cc(OC)c1,SXTKCOVWIWVOJO-UHFFFAOYSA-N
rxn:4:212746:223592,CC1CN(Cc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3Cl)cc2N2CCOCC2)CCN1C(=O)OC(C)(C)C,MNPIGDODRQDYJC-UHFFFAOYSA-N
rxn:4:212748:222888,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(CN4CCNCC4)c(Cl)c3)c2)CCN1C(=O)OC(C)(C)C,JYFFXUOMRWFAHQ-UHFFFAOYSA-N
rxn:4:212748:223824,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(C(F)(F)F)cnc3OCc3ccccc3)c2)CCN1C(=O)OC(C)(C)C,QRXRVFMNNRUKFX-UHFFFAOYSA-N
rxn:4:212748:224232,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(Cl)c(OCc4ccccc4)cc3F)c2)CCN1C(=O)OC(C)(C)C,DICJIABHOZHOIL-UHFFFAOYSA-N
rxn:4:212748:224306,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(C(F)(F)F)cc3OC3CCCC3)c2)CCN1C(=O)OC(C)(C)C,ZYTBZSYCZVBUBM-UHFFFAOYSA-N
rxn:4:212751:222847,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C#N)cc(C4CCCNC4)c3)c2)CCN1C(=O)OC(C)(C)C,LOBIJUDOKNLRQW-UHFFFAOYSA-N
rxn:4:212751:222998,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(F)cc(C4CCCNC4)c3)c2)CCN1C(=O)OC(C)(C)C,FARKGTIACUBASZ-UHFFFAOYSA-N
rxn:4:212751:224577,Cc1cn(-c2cc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc(C3CC3)c2)cn1,XDDUECTUSNNPAA-UHFFFAOYSA-N
rxn:4:212751:224580,Cc1nccn1-c1ccc(C2CC2)c(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c1,BKCBVRIRSJYJEZ-UHFFFAOYSA-N
rxn:4:212751:224603,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cccc4c3cnn4C3CCCCO3)c2)CCN1C(=O)OC(C)(C)C,OBYXFDBTOICBBW-UHFFFAOYSA-N
rxn:4:213450:222741,Cc1nc2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,QUUMOXKLGYOKOR-UHFFFAOYSA-N
rxn:4:213475:222741,COc1cc(-c2cc(C3CC3)nc(C3CCCNC3)c2)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,FJZWFECRUSMHNT-IITVOJQDSA-N
rxn:4:219197:223597,COc1ccccc1C1=NN(c2nc(-c3ccccc3)c3cc(C)ccc3n2)C(c2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cc2)C1,LJUPIUQLLMKTOQ-UHFFFAOYSA-N
rxn:4:221563:223570,CC(C)CCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)n(C)c1=O,JGMZUSBLIKTINU-UHFFFAOYSA-N
rxn:4:222126:222803,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C4CCNC4)c(C(F)(F)F)c3)cc2)CC1,LIYYCPKDXFFQLG-UHFFFAOYSA-N
rxn:4:222126:223491,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)cc2)CC1,JDDHRSKVKYAEGR-UHFFFAOYSA-N
rxn:4:222126:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,GGTOZFSRDVTLQH-FBSWEULCSA-N
rxn:4:222134:223570,COc1ccc(-c2nnc3n(Cc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,NSSFSKHMRPDJFR-UHFFFAOYSA-N
rxn:4:222143:223527,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,BXMYZAUGXPULTG-UHFFFAOYSA-N
rxn:4:222363:223597,Cc1cc(CN2CCN(c3c(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WYPYLZXIFFLRIZ-UHFFFAOYSA-N
rxn:4:173604:222389,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)c3ccco3)cc12,SXEJVUIUDQPJQV-UHFFFAOYSA-N
rxn:4:201187:223834,CCCOc1cccc(C2c3c(oc4ccc(-c5cc(C)c(S(=O)(=O)N6CCN(C)CC6)c(C)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,JYJVAMRAZWTJME-UHFFFAOYSA-N
rxn:4:212734:223523,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(-c3ccc(S(=O)(=O)N4CCN(CC)CC4)c4ccccc34)c2)SC1=S,TZKAYRXBGLFAAL-UHFFFAOYSA-N
rxn:4:212742:222586,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(C(=O)NCCc3ccc(F)cc3)s2)cc1N1CCCC1,DJEKSNXUFQWHAA-UHFFFAOYSA-N
rxn:4:212742:224667,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(Cl)c(CN3CCN(C)CC3)c2)cc1N1CCCC1,ALXZWDDGOZRYNG-UHFFFAOYSA-N
rxn:4:212744:224668,CCN1CCN(c2cc(F)cc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,IKCFHLKHYKTLKP-UHFFFAOYSA-N
rxn:4:212744:224669,CN1CCN(Cc2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,VDFMYIXSOCPFRA-UHFFFAOYSA-N
rxn:4:212746:222701,CC1CN(Cc2ccc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)cc2N2CCOCC2)CCN1C(=O)OC(C)(C)C,WTXFFTOPNJMRSV-UHFFFAOYSA-N
rxn:4:212746:222702,CC1CN(Cc2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2N2CCOCC2)CCN1C(=O)OC(C)(C)C,LWNSCBNPMGJREC-UHFFFAOYSA-N
rxn:4:212746:223723,CCC(CC)Oc1ccc(-c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)C(C)C4)c(N4CCOCC4)c3)cc2)cc1,XHUWBESPZUXIPG-UHFFFAOYSA-N
rxn:4:212746:223728,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)C(C)C4)c(N4CCOCC4)c3)c(F)c2)CC1,VDPSQFJRKFRCEP-UHFFFAOYSA-N
rxn:4:212748:224219,CC1CN(c2cc(CN3CCCCC3)cc(-c3c(F)ccc(OCc4ccccc4)c3Cl)c2)CCN1C(=O)OC(C)(C)C,XMDCWGHGBCFJNM-UHFFFAOYSA-N
rxn:4:212748:224860,CCCOc1ccc2cc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)ccc2c1,GPTVQBBYINQNRB-UHFFFAOYSA-N
rxn:4:212748:225212,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(F)cc(N4CCN(C)CC4)c3)c2)CCN1C(=O)OC(C)(C)C,XGKJNYIPNIUPBA-UHFFFAOYSA-N
rxn:4:212748:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(CN2CCCCC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,PNIKCTKQVGVBIQ-UHFFFAOYSA-N
rxn:4:212751:222706,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C4CCNCC4)ccc3C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,NEBKTBKFNCIVQG-UHFFFAOYSA-N
rxn:4:212751:223747,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c2)CCN1C(=O)OC(C)(C)C,HOERNDGNRMDZSR-UHFFFAOYSA-N
rxn:4:212751:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(CN2CCC(F)(F)CC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,ZWROOMCCEUOXBG-UHFFFAOYSA-N
rxn:4:212761:223527,COC(=O)Cn1c(=NC(=O)c2ccc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)s2)sc2cc(S(N)(=O)=O)ccc21,NPPCXSPAADBAHB-UHFFFAOYSA-N
rxn:4:212767:223532,COCCn1c(=NC(=O)c2ccc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)s2)sc2cc(S(N)(=O)=O)ccc21,DTROPRICIUUTNY-UHFFFAOYSA-N
rxn:4:212839:222537,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)ccn23)CC1,UFNJBWULIGEJIM-UHFFFAOYSA-N
rxn:4:212839:222628,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CCC5)nc(C5CCCNC5)c4)ccn23)CC1,JNKGSVKGEMJXNJ-UHFFFAOYSA-N
rxn:4:212846:224193,CCN1CCN(Cc2cc(-c3ccc(CSc4nc5sc6c(c5c(=O)n4Cc4ccco4)CCN(C(C)=O)C6)cc3)ccc2F)CC1,OBSOMHYZEIOYMX-UHFFFAOYSA-N
rxn:4:213445:222537,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(C7CCCC7)nc(C7CCCNC7)c6)c(OC)ccc5c4)nc23)cc1OC,USJLXISFDUMGAN-UHFFFAOYSA-N
rxn:4:218700:223570,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)CC2c2ccc(F)cc2)C(=O)C1=O,HUXFRFAOVALNAY-UHFFFAOYSA-N
rxn:4:219622:223570,CC(=O)Cn1c(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)nc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2C,NSCJQBAZHCBXLS-UHFFFAOYSA-N
rxn:4:220453:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnc4[nH]c(-c5ccc([N+](=O)[O-])cc5)nc4c3)c(F)ncc21,UXBZBGYTASDGSA-UHFFFAOYSA-N
rxn:4:221786:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(C)c(C)c3)n(C)c2=O)cc1,LFDRBUHBTNCWGL-UHFFFAOYSA-N
rxn:4:222126:222531,Cc1ccc(NC(=O)c2ccc(-c3ccc(Cn4c(CN5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)c(C)c1,SNPBUCXFZOKJJQ-UHFFFAOYSA-N
rxn:4:222126:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4c(CN5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)cc2C)CC1,XACSWXMHZFDPJV-UHFFFAOYSA-N
rxn:4:222126:223816,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc4c(Cl)ccnc4n3COCC[Si](C)(C)C)cc2)CC1,YVYSUNXEAJTJPR-UHFFFAOYSA-N
rxn:4:222134:223534,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(OC6CCN(C(=O)OC(C)(C)C)CC6)ncc5F)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,YFWOFYVLIIPLMA-UHFFFAOYSA-N
rxn:4:222143:223591,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)cc1,HUWSMXJHAMJTAD-UHFFFAOYSA-N
rxn:4:222195:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(Cn4c(N5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)c3)c(F)ncc21,SKCWDCGNVVWAIW-UHFFFAOYSA-N
rxn:4:222198:223570,COc1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1-c1nnc2n(C(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,LBWIANDFGGNJSD-UHFFFAOYSA-N
rxn:4:224705:212745,CC1CCN(c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2F)CC1,LFBULRNWYIKXLQ-UHFFFAOYSA-N
rxn:4:201187:223689,CCCOc1cccc(C2c3c(oc4ccc(-c5ccc(OC)c(S(=O)(=O)N6CCN(CC)CC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,LTZUWZHSBGONOO-UHFFFAOYSA-N
rxn:4:212740:222700,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)c2)CC1,VYVLJPOOONRGGL-UHFFFAOYSA-N
rxn:4:212740:223598,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c2)CC1,STUQGWOMYPUGPT-UHFFFAOYSA-N
rxn:4:212745:222704,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(C4CCNCC4)c(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,SLPKSPASLSLBFL-UHFFFAOYSA-N
rxn:4:212745:224464,CCc1ccc(-c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2)cc1,AUQAZLKIULRKBG-UHFFFAOYSA-N
rxn:4:212748:223570,CC1CN(c2cc(CN3CCCCC3)cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c2)CCN1C(=O)OC(C)(C)C,TZZKGHSQXNJOEF-UHFFFAOYSA-N
rxn:4:212748:223691,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(OCc4cccnc4)c(C(F)(F)F)cc3Cl)c2)CCN1C(=O)OC(C)(C)C,YXERPJKULDWVQY-UHFFFAOYSA-N
rxn:4:212749:222661,CC1CN(Cc2ccc(-c3cc(C(=O)Nc4ccccc4)ccc3F)cc2N2CCCCC2)CCN1C(=O)OC(C)(C)C,KQMUDVIJXRNPIX-UHFFFAOYSA-N
rxn:4:212750:222655,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)cc1N1CCCCC1,XVCQOUGALCEJTE-UHFFFAOYSA-N
rxn:4:212750:222824,Cc1cc(F)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCCC3)c2)cc1S(=O)(=O)NC(C)C,URZDKJXTZHEUIF-UHFFFAOYSA-N
rxn:4:212751:222580,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(S(=O)(=O)NC4CC4)c4ccccc34)c2)CCN1C(=O)OC(C)(C)C,XUGGSJCEGZFKFU-UHFFFAOYSA-N
rxn:4:212751:222702,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,XZKVXUZKJANVQN-UHFFFAOYSA-N
rxn:4:212751:222850,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C4CCNCC4)ccc3C#N)c2)CCN1C(=O)OC(C)(C)C,DDRLSNIGIUPHOS-UHFFFAOYSA-N
rxn:4:212754:223557,COC(=O)Cn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)ccc21,WGGBASWPCKSJPK-UHFFFAOYSA-N
rxn:4:212756:224283,COCCn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)ccc21,OSSABBUBAUBAFD-UHFFFAOYSA-N
rxn:4:212820:222621,COCCn1c(=NC(=O)c2cc(-c3cccs3)nc3ccccc23)sc2cc(-c3cc(CC(C)C)nc(C4CCCNC4)c3)ccc21,KQWFMJBBKTUEOO-UHFFFAOYSA-N
rxn:4:212832:224196,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3cc(F)cc(CN4CCN(CC)CC4)c3)cc1)SCC2,CRYILLFEWBNOKY-UHFFFAOYSA-N
rxn:4:212839:222729,CCCc1cc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc(C2CCCNC2)n1,XNKZETORKXXDCV-UHFFFAOYSA-N
rxn:4:212839:222730,CCCc1cc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc(C2CCNCC2)n1,GLEZDJUIHBWXLX-UHFFFAOYSA-N
rxn:4:212839:223542,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)ccn23)CC1,SEHWQNPGHDNYJG-UHFFFAOYSA-N
rxn:4:212846:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(CSc4nc5sc6c(c5c(=O)n4Cc4ccco4)CCN(C(C)=O)C6)cc3)c2)CC1,HFDPYERKHSLDJE-UHFFFAOYSA-N
rxn:4:213445:222630,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(C7CCC7)nc(C7CCNCC7)c6)c(OC)ccc5c4)nc23)cc1OC,HDMUXQAEACDKQZ-UHFFFAOYSA-N
rxn:4:213445:222848,CCc1cc(-c2c(OC)ccc3cc(-c4nc5c(-c6ccc(OC)c(OC)c6)cnn5cc4C)ccc23)cc(C2CCCNC2)n1,GNWVMPKLOIJLEK-UHFFFAOYSA-N
rxn:4:213445:222890,COc1cc(-c2c(OC)ccc3cc(-c4nc5c(-c6ccc(OC)c(OC)c6)cnn5cc4C)ccc23)cc(C2CCCNC2)n1,YXUXZSABTBDMLK-UHFFFAOYSA-N
rxn:4:219155:223570,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)c2)C3)nc1,GLPSCGVTVBECFI-UHFFFAOYSA-N
rxn:4:219740:223570,Cc1ccccc1-n1c(=O)c2sccc2n(Cc2nc(-c3cccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)c3)no2)c1=O,JWCQLBIDUDPCSP-UHFFFAOYSA-N
rxn:4:221970:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(-c4noc(CSc5nc6[nH]ncc6c(=O)n5-c5ccccc5)n4)ccc3F)c(F)ncc21,KENWPHGMVHGITD-UHFFFAOYSA-N
rxn:4:221987:223570,COCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)ccc3OC)nnc12,QYMKSCVZPYVQEE-UHFFFAOYSA-N
rxn:4:221990:223570,COc1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,HVFAAIMDZBABSD-UHFFFAOYSA-N
rxn:4:222126:223605,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)cc2)CC1,HRUBIYIEGCMEJV-UHFFFAOYSA-N
rxn:4:222132:223534,COc1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,OOBIQODRCFKUFU-UHFFFAOYSA-N
rxn:4:222132:223598,COc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,VZPHPILYKDNIAN-UHFFFAOYSA-N
rxn:4:222138:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCN5CCOCC5)c(=O)n4C)cc3)cnc21,LQCYBVUCYLQJCP-UHFFFAOYSA-N
rxn:4:222144:223530,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,SPBCYUFLWCMHKY-UHFFFAOYSA-N
rxn:4:222363:223497,Cc1cc(CN2CCN(c3c(-c4ccc(C(C)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GBABWMDOUKQDDB-UHFFFAOYSA-N
rxn:4:173583:222423,COc1cc(S(=O)(=O)Oc2ccc(C(C)C)c(C)c2)c(OC)cc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,VHMVIMCQIFOTOH-UHFFFAOYSA-N
rxn:4:185611:226029,CCOc1c(F)c(F)c(-c2ccc(-c3c(C)oc4cc(OCCN5CCOCC5)ccc4c3=O)cc2)c(F)c1F,SHRUYRCPYGGXTK-UHFFFAOYSA-N
rxn:4:212740:224281,COc1cc(OC)c2cc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(OC)nc2c1,FQIXGTGLHVZQFL-UHFFFAOYSA-N
rxn:4:212742:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2C)c(N2CCCC2)c1,UCBVLRBRQKXMGB-UHFFFAOYSA-N
rxn:4:212744:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1cc(CN2CCC(F)(F)CC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,JUHSGYXXXDFAKA-UHFFFAOYSA-N
rxn:4:212745:222700,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)c2)CCN1C(=O)OC(C)(C)C,DTBJTHFSDCPXJT-UHFFFAOYSA-N
rxn:4:212748:222423,COc1c(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LKMKSUDJXSFUPX-UHFFFAOYSA-N
rxn:4:212748:222848,CCc1cc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc(C2CCCNC2)n1,IRBJZBGICBVSFH-UHFFFAOYSA-N
rxn:4:212749:222597,CC1CN(Cc2ccc(-c3ccc(F)c(C(=O)Nc4ccccc4Cl)c3)cc2N2CCCCC2)CCN1C(=O)OC(C)(C)C,IURMTJZEAPVESC-UHFFFAOYSA-N
rxn:4:212750:222662,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(C(=O)Nc3ccccc3)c(F)c2)cc1N1CCCCC1,KEYAWCZEJLWYNP-UHFFFAOYSA-N
rxn:4:212751:222542,Cc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1OCCCN1CCNCC1,RHGKSMTWQUSMLA-UHFFFAOYSA-N
rxn:4:212751:223691,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(OCc4cccnc4)c(C(F)(F)F)cc3Cl)c2)CCN1C(=O)OC(C)(C)C,RNUXDBMAMPZXQT-UHFFFAOYSA-N
rxn:4:212751:224286,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)c2)CCN1C(=O)OC(C)(C)C,XCZQDWGVWKWJCE-UHFFFAOYSA-N
rxn:4:212754:222622,CCC(C)c1cc(-c2ccc3c(c2)sc(=NC(=O)c2ccc([N+](=O)[O-])s2)n3CC(=O)OC)cc(C2CCCNC2)n1,SWINNHNYFIQLRW-UHFFFAOYSA-N
rxn:4:212754:223603,COC(=O)Cn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3cc(OCc4cccnc4)c(OC(F)(F)F)cc3Cl)ccc21,IICBPSMKDHOBOO-UHFFFAOYSA-N
rxn:4:212839:222389,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)ccn23)CC1,WWJPXFWSBAJORF-UHFFFAOYSA-N
rxn:4:212839:222624,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(CC(C)C)nc(C5CCNCC5)c4)ccn23)CC1,XODYWHOILIOAAN-UHFFFAOYSA-N
rxn:4:212839:222630,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CCC5)nc(C5CCNCC5)c4)ccn23)CC1,JJNFUROOOVRSIP-UHFFFAOYSA-N
rxn:4:212839:223890,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc5ncn(Cc6ccccc6)c5cc4F)ccn23)CC1,YZLVCTPWDSMDAS-UHFFFAOYSA-N
rxn:4:212839:223994,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(S(=O)(=O)N5CCN(C)CC5)ccc4C)ccn23)CC1,OXJDOWHFCNDIQL-UHFFFAOYSA-N
rxn:4:212839:223997,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C)c(S(=O)(=O)N5CCOCC5)c(C)c4)ccn23)CC1,UGJMUAMVODXBAZ-UHFFFAOYSA-N
rxn:4:212845:222628,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5cc(C6CCC6)nc(C6CCCNC6)c5)c4)n(Cc4ccco4)c(=O)c23)C1,AKMOKLKOXDWVLK-UHFFFAOYSA-N
rxn:4:213398:222621,CC(C)Cc1cc(-c2ccc(-c3nc(=S)c4c(n3CCCN(C)C)CCCC4)cc2)cc(C2CCCNC2)n1,ZAVCGHSNKYEYKY-UHFFFAOYSA-N
rxn:4:213445:222628,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(C7CCC7)nc(C7CCCNC7)c6)c(OC)ccc5c4)nc23)cc1OC,PYDVCLQYQXWTDJ-UHFFFAOYSA-N
rxn:4:213445:222742,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(C7CCNCC7)nc(C7CC7)c6)c(OC)ccc5c4)nc23)cc1OC,ZBIJUFFJPUYKOE-UHFFFAOYSA-N
rxn:4:219685:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(-c4noc(Cn5c(=O)n(-c6ccc(F)cc6)c(=O)c6sccc65)n4)cc3)c(F)ncc21,FFXZEMYIFBBKCO-UHFFFAOYSA-N
rxn:4:221569:223570,COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)c(=O)n2C)cc1,JZVQHKWYBOEOGZ-UHFFFAOYSA-N
rxn:4:221570:223570,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)c(=O)n2C)c1,AGZNUXSYSPHXTO-UHFFFAOYSA-N
rxn:4:221768:223570,Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)c(=O)n2C)cc1C,KOVMZQGCAYWOJP-UHFFFAOYSA-N
rxn:4:221786:223845,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)cc1C,ICVBGRVLGBDBPI-UHFFFAOYSA-N
rxn:4:222126:223641,CCc1cc2c(cc1F)cc(-c1ccc(Cn3c(CN4CCN(C)CC4)nc4c3c(=O)n(C)c(=O)n4C)cc1)n2C(=O)OC(C)(C)C,WSMVJHYHKQTCFD-UHFFFAOYSA-N
rxn:4:222126:224076,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)cc2)CC1,TUWRWJDRVNXVHT-UHFFFAOYSA-N
rxn:4:212740:222586,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccc(C(=O)NCCc4ccc(F)cc4)s3)c2)CC1,UCMJVOLSNMKRCP-UHFFFAOYSA-N
rxn:4:212740:223474,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccc(OCc4ccccc4)c(C45CC6CC(CC(C6)C4)C5)c3)c2)CC1,XHDJFELZKQGUIO-UHFFFAOYSA-N
rxn:4:212741:223479,CC1CN(Cc2ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,PMKIDIKRAYLYBH-UHFFFAOYSA-N
rxn:4:212741:224670,CC1CN(Cc2ccc(-c3cc(CN4CCN(C)CC4)ccc3F)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,BFXVVBKEGZMULX-UHFFFAOYSA-N
rxn:4:212747:223587,COc1cc(COc2ccc(F)c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4C)c(N4CCOCC4)c3)c2F)cc(OC)c1,GZYDSAAWYKLQON-UHFFFAOYSA-N
rxn:4:212750:222599,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3)c(F)c2)cc1N1CCCCC1,JPCJCJMDPSNCGJ-UHFFFAOYSA-N
rxn:4:212751:222701,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,YEAIUVFJNYMXMD-UHFFFAOYSA-N
rxn:4:212751:223798,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(COc4cccc(C(F)(F)F)c4)cc3)c2)CCN1C(=O)OC(C)(C)C,KQJAOVHGAKGMFZ-UHFFFAOYSA-N
rxn:4:212751:224122,COc1ccc(CSc2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,OACLUKVXFJCHRZ-UHFFFAOYSA-N
rxn:4:212786:222700,COCCn1c(=NC(=O)c2cccc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)c2)sc2cc(S(N)(=O)=O)ccc21,UGHGRRRAQRGKPT-UHFFFAOYSA-N
rxn:4:212832:222622,CCC(C)c1cc(-c2ccc(-n3c(SCC(=O)N4CCCCC4CC)nc4c(c3=O)SCC4)cc2)cc(C2CCCNC2)n1,FYUTZDBZBBADER-UHFFFAOYSA-N
rxn:4:212839:222742,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CCNCC5)nc(C5CC5)c4)ccn23)CC1,WJEZZJGWGYWHCF-UHFFFAOYSA-N
rxn:4:212839:223814,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(CN5CCC6(CC5)OCCO6)cc4F)ccn23)CC1,MUWHPGFIVIYWHG-UHFFFAOYSA-N
rxn:4:212839:224264,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)c(-c5cccc(Cl)c5)cc4OC)ccn23)CC1,LMGYGLOLHAGDMN-UHFFFAOYSA-N
rxn:4:212839:224501,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OCC5CCCCN5C)cc4)ccn23)CC1,NUGZVTGIHGRPSB-UHFFFAOYSA-N
rxn:4:212839:224590,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(CN5CCC(C)CC5)cc4F)ccn23)CC1,GJDPQSPBXIDYIA-UHFFFAOYSA-N
rxn:4:212839:224883,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C(C)N5CCCCC5)cc4)ccn23)CC1,WMIAWBMOXKXBDE-UHFFFAOYSA-N
rxn:4:213447:222628,CCC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)CC1c1ccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc1,MMOLBHWZWAZJDL-UHFFFAOYSA-N
rxn:4:221252:223597,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cc1,PFNQUVVMMNIHJE-UHFFFAOYSA-N
rxn:4:221540:223542,Cc1ccc(C)c(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)cc3)CC2)c1,GRDRMZJUMCRTFG-UHFFFAOYSA-N
rxn:4:221575:223527,CC1CN(c2ccc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,QMUAWQBRTDGQGI-UHFFFAOYSA-N
rxn:4:221986:223491,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)cc2)CC1,DEZPPQQYKSWXQY-UHFFFAOYSA-N
rxn:4:222126:222429,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(CNC(=O)c4ccc(F)cc4C(F)(F)F)cc3)cc2)CC1,YHGKLQHTZNDAAT-UHFFFAOYSA-N
rxn:4:222126:223542,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2)CC1,AMAQKTWMKDRALG-UHFFFAOYSA-N
rxn:4:222126:223599,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc4cc(C(F)(F)F)ccc4n3C(=O)OC(C)(C)C)cc2)CC1,XEAJAMHOHBKWNX-UHFFFAOYSA-N
rxn:4:222132:223845,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,TYXZPMWYGOSUNI-UHFFFAOYSA-N
rxn:4:222135:223606,COc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,HIKINXJLRMLESN-UHFFFAOYSA-N
rxn:4:222135:223841,COc1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,JAUWFUZSJTVBKO-UHFFFAOYSA-N
rxn:4:222138:223802,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)cc1,JLQLQVMWGSCRNY-UHFFFAOYSA-N
rxn:4:222138:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1,IYXBZXNGIXJLFU-UHFFFAOYSA-N
rxn:4:222142:223536,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,XOCWLZPKUWTODU-UHFFFAOYSA-N
rxn:4:222143:223604,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1,HKQPFUJJXHCNKG-UHFFFAOYSA-N
rxn:4:222144:223845,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1,XKRXWTKTSPLVOO-UHFFFAOYSA-N
rxn:4:222144:225594,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(F)cc2CN2CCCC2)cc1,CBDWPPMFYPAPCE-UHFFFAOYSA-N
rxn:4:222250:223845,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4)c(=O)n(C)c3nc2n1CCCn1ccnc1,YJBKHHSQVZNOAI-UHFFFAOYSA-N
rxn:4:222363:222537,Cc1cc(CN2CCN(c3c(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DRHFIPDBJBTMOP-UHFFFAOYSA-N
rxn:4:222363:223901,Cc1cc(CN2CCN(c3c(-c4ccc(OCCN5CCC(C)CC5)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RHHFXJCKIILJAS-UHFFFAOYSA-N
rxn:4:222363:224667,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(CN5CCN(C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GMLIBAYJIPLRGO-UHFFFAOYSA-N
rxn:4:212737:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1cc(CN2CCOCC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,PSXHJQPHAMDSML-UHFFFAOYSA-N
rxn:4:212748:222699,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,REKDEGQSMWAQRN-UHFFFAOYSA-N
rxn:4:212839:223993,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(S(=O)(=O)N5CCN(C)CC5)c(C)c4)ccn23)CC1,CZZFUARMVMDTOL-UHFFFAOYSA-N
rxn:4:213451:224286,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OCCN6CCOCC6)c(Cl)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,UCPDQSYIGGCLBJ-UHFFFAOYSA-N
rxn:4:218785:223570,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc1-2,OYACXPZCFULIJY-UHFFFAOYSA-N
rxn:4:219621:223570,CC(=O)Cn1c(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C,BUCXZUYJVUIAPW-UHFFFAOYSA-N
rxn:4:219775:223570,Cc1ccc(C(=O)N2CCN(c3nc(-c4ccccc4)c4cc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)ccc4n3)CC2)cc1,HVMBZRWZXMFFRT-UHFFFAOYSA-N
rxn:4:221769:223570,Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)c(=O)n2C)c1,YYRYLVWMLCFXHB-UHFFFAOYSA-N
rxn:4:221786:224011,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)c(F)c4)cc3)c(=O)n2C)cc1C,ZADZGPRLSBHTEW-UHFFFAOYSA-N
rxn:4:221786:224376,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cccc(S(=O)(=O)N5CCN(C)CC5)c4)cc3)c(=O)n2C)cc1C,RBQXFQWSTHMSMP-UHFFFAOYSA-N
rxn:4:221787:223845,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)c1,FHLQLQCXSZJPDP-UHFFFAOYSA-N
rxn:4:221961:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cncc(C(=O)N4CCC(Oc5ncc(-c6cnn(C)c6)cn5)CC4)c3)c(F)ncc21,WLHWANPPKUVWEU-UHFFFAOYSA-N
rxn:4:222126:223537,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc4cc(OC(F)(F)F)ccc4n3C(=O)OC(C)(C)C)cc2)CC1,QPWCKNNWJWRITR-UHFFFAOYSA-N
rxn:4:222131:223659,CC(C)CCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(-c4cnn(CC5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)nnc12,QJZMBXRWYDZDOO-UHFFFAOYSA-N
rxn:4:222134:223845,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,CYUGSJGCQUNQIY-UHFFFAOYSA-N
rxn:4:222135:223598,COc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,JSLKXRBOKIVLOQ-UHFFFAOYSA-N
rxn:4:222138:223796,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cccc(COc3cccc(C(F)(F)F)c3)c2)cc1,WPKYYXUYUAYWTO-UHFFFAOYSA-N
rxn:4:222142:223841,Cc1cc(F)c(-c2ccc(-n3c(C)cn4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cc1S(=O)(=O)N1CCN(C)CC1,LPLHNILZSPGABC-UHFFFAOYSA-N
rxn:4:222232:223570,CC1=NN(Cc2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1,LNZZZFNHMNHCIF-UHFFFAOYSA-N
rxn:4:222362:222524,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(F)cc6S(=O)(=O)N6CCC(O)CC6)cc6[nH]ncc56)nn4)cn3c2)CC1,IZAXLSHRGAUEKX-UHFFFAOYSA-N
rxn:4:222362:223828,CCN1CCN(c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc(C(F)(F)F)c2)CC1,YUUYOYJITWCLDP-UHFFFAOYSA-N
rxn:4:222363:222423,COc1c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RYFRFYFUTDGTAX-UHFFFAOYSA-N
rxn:4:222363:222462,Cc1cc(CN2CCN(c3c(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,FTBNRFNARLOEQU-UHFFFAOYSA-N
rxn:4:222363:222518,Cc1cc(CN2CCN(c3c(-c4ccc(F)c5sc(NC(=O)OC(C)(C)C)nc45)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YRDHUVHLLMNXTP-UHFFFAOYSA-N
rxn:4:222363:222600,Cc1cc(CN2CCN(c3c(-c4ccc5nc(NC(=O)OC(C)(C)C)sc5c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OIWHNRSGCIOPQT-UHFFFAOYSA-N
rxn:4:222363:222621,Cc1cc(CN2CCN(c3c(-c4cc(CC(C)C)nc(C5CCCNC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DGVNKSJXIDZOKJ-UHFFFAOYSA-N
rxn:4:222363:222624,Cc1cc(CN2CCN(c3c(-c4cc(CC(C)C)nc(C5CCNCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SASSCWWRAVLRNZ-UHFFFAOYSA-N
rxn:4:222363:222751,Cc1cc(CN2CCN(c3c(-c4ccc(C)c(NC(=O)OC(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DDWLESYJIJMLHJ-UHFFFAOYSA-N
rxn:4:222363:222949,Cc1cc(CN2CCN(c3c(-c4cc5[nH]ncc5cc4OC(F)(F)F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZYHIZZLOSARRED-UHFFFAOYSA-N
rxn:4:222363:223491,Cc1cc(CN2CCN(c3c(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)cc(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XPCMZEIKUFXELU-UHFFFAOYSA-N
rxn:4:222363:223527,Cc1cc(CN2CCN(c3c(-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OCTVKHRBRJDPOJ-UHFFFAOYSA-N
rxn:4:222363:223579,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5C)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,MXCPSLPAFXCLEU-UHFFFAOYSA-N
rxn:4:222363:223815,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(CN5CCC6(CC5)OCCO6)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SNJPADQXQKYRAI-UHFFFAOYSA-N
rxn:4:222363:223902,Cc1cc(CN2CCN(c3c(-c4ccc(OCCN5CCC(C)CC5)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YAXZJPNPVHAWQH-UHFFFAOYSA-N
rxn:4:222363:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,VFZKCCOCPKLOPO-UHFFFAOYSA-N
rxn:4:222363:224349,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCCCC5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VSQYKOAONAVIGL-UHFFFAOYSA-N
rxn:4:212745:222628,CC1CN(c2cc(CN3CCOCC3)cc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)c2)CCN1C(=O)OC(C)(C)C,IKIRAMQICJQAFQ-UHFFFAOYSA-N
rxn:4:212748:224713,CCCCOc1ccc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c(C(F)(F)F)c1,UEEGLVMCVRLVGX-UHFFFAOYSA-N
rxn:4:221575:223530,CC1CN(c2ccc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,DZZYNOZLMUKGOV-UHFFFAOYSA-N
rxn:4:221782:223845,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)c(C)c1,PXAJSOZVOFEOKZ-UHFFFAOYSA-N
rxn:4:221786:223999,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCC(C)CC5)ccc4F)cc3)c(=O)n2C)cc1C,YATYEJKGQWCYHD-UHFFFAOYSA-N
rxn:4:221786:224405,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCCC4)cc3)c(=O)n2C)cc1C,UAOHMDPBYDBWGN-UHFFFAOYSA-N
rxn:4:222125:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(-c4cc(N5CCCN(C(=O)c6ccc7[nH]cnc7c6)CC5)[nH]n4)cc3)c(F)ncc21,WSFPNLAFSZEOCE-UHFFFAOYSA-N
rxn:4:222135:222389,COc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,OSGHELGYEQVEJJ-UHFFFAOYSA-N
rxn:4:222135:223578,COc1ccc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,QUBCHPJISVEGIJ-UHFFFAOYSA-N
rxn:4:222137:223527,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,FYVBACOENGOOJP-UHFFFAOYSA-N
rxn:4:222143:223536,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,DXPSCNKMTGNLKA-UHFFFAOYSA-N
rxn:4:222143:223596,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1,IWZWHRNXYHOUQH-UHFFFAOYSA-N
rxn:4:222144:223864,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(OCc3ccccc3)cc2C(C)C)cc1,HXNSYSKECFGTER-UHFFFAOYSA-N
rxn:4:222362:222493,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)cc(NC(=O)OCc7ccccc7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,ZXKHXEUFFCGNTR-UHFFFAOYSA-N
rxn:4:222362:222533,Cc1ccc(C)c(NC(=O)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)c1,MDGZLFCSKPZIHR-UHFFFAOYSA-N
rxn:4:222362:223499,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(Cl)c(C(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,RXVXNKFYUMDHBZ-UHFFFAOYSA-N
rxn:4:222362:223506,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(S(=O)(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,IYXIOZQKOUFGOY-UHFFFAOYSA-N
rxn:4:222363:222390,Cc1cc(CN2CCN(c3c(-c4cccc(NC(=O)Nc5cccc(F)c5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZEXZGUAFFLWFPF-UHFFFAOYSA-N
rxn:4:222363:222465,Cc1cc(CN2CCN(c3c(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OZKQVDSUYNZISQ-UHFFFAOYSA-N
rxn:4:222363:222466,Cc1cc(CN2CCN(c3c(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HCSHNJRULDIFGY-UHFFFAOYSA-N
rxn:4:222363:222468,Cc1cc(CN2CCN(c3c(-c4ccc5cc(NC(=O)OC(C)(C)C)ccc5c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GPDRZSPEVVRHSC-UHFFFAOYSA-N
rxn:4:222363:222538,Cc1cc(CN2CCN(c3c(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BGYQPEOCZDYTDS-UHFFFAOYSA-N
rxn:4:222363:222705,Cc1cc(CN2CCN(c3c(-c4cc(C5CCNCC5)cc(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GZPBPRDDBJWPMB-UHFFFAOYSA-N
rxn:4:222363:223479,Cc1cc(CN2CCN(c3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GSLGEGFNOYQKAT-UHFFFAOYSA-N
rxn:4:222363:223503,Cc1cc(CN2CCN(c3c(-c4c(F)cc(OC5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UAOYKAJSIWPYLS-UHFFFAOYSA-N
rxn:4:222363:223578,Cc1cc(CN2CCN(c3c(-c4cnc(N5CCCCC5)nc4OCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UAAPKEKSUXFSLK-UHFFFAOYSA-N
rxn:4:222363:223602,Cc1cc(CN2CCN(c3c(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OAPNJGDZPHHYBD-UHFFFAOYSA-N
rxn:4:222363:223660,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YSWKJFXHIVJTAW-UHFFFAOYSA-N
rxn:4:222363:223676,Cc1cc(CN2CCN(c3c(-c4cc(OCc5ccccc5)cc(C(F)(F)F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,MGNMIEVDSKOFQI-UHFFFAOYSA-N
rxn:4:222363:223818,Cc1cc(CN2CCN(c3c(-c4c(F)cc(F)c5c4ccn5C(=O)OC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UOBZGCQEXPNJFW-UHFFFAOYSA-N
rxn:4:222363:223923,Cc1cc(CN2CCN(c3c(-c4ccc(F)c(C(=O)N(C)C5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AKCMKLVBPFRJAT-UHFFFAOYSA-N
rxn:4:222363:223963,Cc1cc(CN2CCN(c3c(-c4c(F)ccc(OCc5ccccc5Cl)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DWBVHBFIKBCNMN-UHFFFAOYSA-N
rxn:4:222363:224101,Cc1cc(CN2CCN(c3c(-c4cccc(OCCN5CCC(C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NLNCSCYEGASAJN-UHFFFAOYSA-N
rxn:4:222363:224155,Cc1cc(CN2CCN(c3c(-c4cc(C5CC5)cc(N5CCN(C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,MVKRTEHUOKGNFS-UHFFFAOYSA-N
rxn:4:222363:224162,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CC5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HALYDDQUNFAQLX-UHFFFAOYSA-N
rxn:4:222363:224231,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(Cl)c4OCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VFRICMUJQLGYBZ-UHFFFAOYSA-N
rxn:4:222363:224364,Cc1cc(CN2CCN(c3c(-c4cc(OCC(C)C)cc(OC(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VLHVBPZJSYRGRI-UHFFFAOYSA-N
rxn:4:222363:224398,Cc1cc(CN2CCN(c3c(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CFZNDBFQSDRAHY-UHFFFAOYSA-N
rxn:4:222363:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,OUIVDUCVXVHDEA-UHFFFAOYSA-N
rxn:4:173609:222389,CCOC(=O)c1c(-c2ccccc2)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(C)=O)cc12,FUJXHKXVDJUIJX-UHFFFAOYSA-N
rxn:4:212734:222389,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)SC1=S,CYIKUODQBGKSFQ-UHFFFAOYSA-N
rxn:4:212737:224194,CCN1CCN(Cc2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)CC1,BLJLVELHTKSPDA-UHFFFAOYSA-N
rxn:4:212744:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1cc(CN2CCC(F)(F)CC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,RYNADANLBLAAFS-UHFFFAOYSA-N
rxn:4:212744:224163,Cc1c(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc2c1cnn2C1CCCCO1,ZOQSUXXCZAALRK-UHFFFAOYSA-N
rxn:4:212750:223479,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1N1CCCCC1,PDJOAYBDFBMJOS-UHFFFAOYSA-N
rxn:4:212839:222718,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)ccn23)CC1,ZYINBAXGDWHJDS-UHFFFAOYSA-N
rxn:4:212839:224153,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(N5CCCC5)cc(N5CCCC5)c4)ccn23)CC1,DEWLSDLBNSUDMO-UHFFFAOYSA-N
rxn:4:212843:224193,CCN1CCN(Cc2cc(-c3ccc(N4CCN(C)CC4)c4c3CC[C@@H](N(Cc3ccccc3)Cc3ccccc3)C4)ccc2F)CC1,WSVUCAWNEUINSD-DIPNUNPCSA-N
rxn:4:212851:224300,CCOc1cc2nc3c4cc(-c5ccc(C(=O)N6CCSCC6)cc5OC)ccc4n(CC(C)C)c3nc2cc1OCC,MNQJXHXYYPVKBG-UHFFFAOYSA-N
rxn:4:213445:223841,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(S(=O)(=O)N7CCN(C)CC7)c(C)cc6F)c(OC)ccc5c4)nc23)cc1OC,MCSMZLSPHQTERO-UHFFFAOYSA-N
rxn:4:221273:222537,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,XVYSATADVOKEKE-UHFFFAOYSA-N
rxn:4:221786:223842,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(C)CC4)cc3)c(=O)n2C)cc1C,WPVNMXXRMNDNOB-UHFFFAOYSA-N
rxn:4:222346:222423,COc1c(-c2cncc(C(=O)N3CC4CN(c5ccc6nncn6n5)CC4C3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,AAGUIGSMUVWVRR-UHFFFAOYSA-N
rxn:4:222362:222423,COc1c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IHIRAMGUOKPGTA-UHFFFAOYSA-N
rxn:4:222362:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cc(-c5cn(Cc6cn7cc(CN8CCC(C)(C)CC8)ccc7n6)nn5)c5cn[nH]c5c4)c3)cccc12,YSIOSLGKVIQEKC-UHFFFAOYSA-N
rxn:4:222362:222461,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6c(F)cc(F)c7sc(NC(=O)OC(C)(C)C)nc67)cc6[nH]ncc56)nn4)cn3c2)CC1,GXMXTKJJRGNYHI-UHFFFAOYSA-N
rxn:4:222362:223528,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(F)c(CN7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,OJWOVQIQYFZYDR-UHFFFAOYSA-N
rxn:4:222363:222389,Cc1cc(CN2CCN(c3c(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DWGRGDLFKXQLSO-UHFFFAOYSA-N
rxn:4:222363:222461,Cc1cc(CN2CCN(c3c(-c4c(F)cc(F)c5sc(NC(=O)OC(C)(C)C)nc45)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XYCJCXBOKLHDSF-UHFFFAOYSA-N
rxn:4:222363:222475,Cc1ccc(CNC(=O)c2cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)ccc2F)cc1,DYVBIFSPWOYTQF-UHFFFAOYSA-N
rxn:4:222363:222628,Cc1cc(CN2CCN(c3c(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LUAZWPAPAFZIKH-UHFFFAOYSA-N
rxn:4:222363:222630,Cc1cc(CN2CCN(c3c(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YQKORXGJJZIXRH-UHFFFAOYSA-N
rxn:4:222363:222740,Cc1cc(CN2CCN(c3c(-c4cc(C(C)C)nc(C5CCCNC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NRDKUMBAUCWDNO-UHFFFAOYSA-N
rxn:4:222363:222741,Cc1cc(CN2CCN(c3c(-c4cc(C5CC5)nc(C5CCCNC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PJKPSBCGXQIFBO-UHFFFAOYSA-N
rxn:4:222363:223480,Cc1cc(CN2CCN(c3c(-c4cc(C)c(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GTQIXAPEXAHGQC-UHFFFAOYSA-N
rxn:4:222363:223502,Cc1cc(CN2CCN(c3c(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VXRFJSDLJKGGGX-UHFFFAOYSA-N
rxn:4:222363:223541,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC5(CC4)OCCO5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LEMXKURUEOCVRW-UHFFFAOYSA-N
rxn:4:222363:223562,Cc1cc(CN2CCN(c3c(-c4ccc(CC5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ULZIAVSVTWZSDU-UHFFFAOYSA-N
rxn:4:222363:223675,Cc1cc(CN2CCN(c3c(-c4cc(OCc5ccccc5)c(C(F)(F)F)cc4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SXCGDWIPKHDBJO-UHFFFAOYSA-N
rxn:4:222363:223918,Cc1cc(CN2CCN(c3c(-c4cc(C(=O)N(C)C5CCCCC5)ccc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QBTYWSICVPUHPZ-UHFFFAOYSA-N
rxn:4:222363:223924,COc1cccc(Cl)c1-c1cccc(OC)c1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,DRRRLSIGJJKJQU-UHFFFAOYSA-N
rxn:4:222363:224357,COc1nc2ccc(C(F)(F)F)cc2cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,DUQQLDUDMKXRQV-UHFFFAOYSA-N
rxn:4:222363:224702,Cc1cc(CN2CCN(c3c(-c4cc(F)c(OC5CCCC5)c(F)c4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GRNNLMXMFPHWHU-UHFFFAOYSA-N
rxn:4:222363:224704,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)c(N5CCC(C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,TVLJDVLGQHBPSK-UHFFFAOYSA-N
rxn:4:222363:225116,CCCCOc1c(F)c(C)cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1F,XTUSXTDUARXGIB-UHFFFAOYSA-N
rxn:4:222363:225201,Cc1cc(CN2CCN(c3c(-c4ccc(OC5CCCC5)c(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NGFWMYQJQSINLC-UHFFFAOYSA-N
rxn:4:222363:227369,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OC4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HRKGHTHTUYCAQV-UHFFFAOYSA-N
rxn:4:221252:222389,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,AEOKMYRCBQGNOH-UHFFFAOYSA-N
rxn:4:221262:222537,COCCn1c(C)cn2c3c(=O)n(Cc4ccc(-c5cc(C6CCCC6)nc(C6CCCNC6)c5)cc4)c(=O)n(C)c3nc12,ZXRMEFHSMOMNDV-UHFFFAOYSA-N
rxn:4:221277:222389,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,BPANYRWELAPRAM-UHFFFAOYSA-N
rxn:4:221786:223992,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(C)c(S(=O)(=O)N5CCN(C)CC5)c4)cc3)c(=O)n2C)cc1C,UZGHPDDQAGZWEL-UHFFFAOYSA-N
rxn:4:222123:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)cc2)CC1,BFZLCAVMTPLMPP-UHFFFAOYSA-N
rxn:4:222132:222389,COc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,MKCKYPCKZFNXJM-UHFFFAOYSA-N
rxn:4:222133:223841,Cc1cc(F)c(-c2ccc(-c3nnc4n(CCc5ccccc5)c5c(=O)n(C)c(=O)n(C)c5n34)cc2)cc1S(=O)(=O)N1CCN(C)CC1,IRNWSIKXOAUFEQ-UHFFFAOYSA-N
rxn:4:222134:223597,COc1ccc(-c2nnc3n(Cc4ccc(-c5ccc(OCCN6CCC7(CC6)OCCO7)c(Cl)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,NFBNJIWMBXGYSP-UHFFFAOYSA-N
rxn:4:222144:222461,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)cc(F)c3sc(NC(=O)OC(C)(C)C)nc23)cc1,JKKVWCLOJHXRJH-UHFFFAOYSA-N
rxn:4:222362:222434,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C(=O)Nc7cccc(OC(F)(F)F)c7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,HXUPKKYVNPYGFB-UHFFFAOYSA-N
rxn:4:222362:222494,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(NC(=O)OCc7ccccc7)cc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,MTFIEMQYGNBBJL-UHFFFAOYSA-N
rxn:4:222362:223500,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(F)c(C(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,OLYNBBHMUKIMKM-UHFFFAOYSA-N
rxn:4:222362:223542,CN1CCN(S(=O)(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2OC(F)(F)F)CC1,KEHFOUDADNVGER-UHFFFAOYSA-N
rxn:4:222362:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)CC1,ZUSGIYHRFZBPHK-UHFFFAOYSA-N
rxn:4:222363:222481,Cc1ccc(C)c(NC(=O)c2cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)ccc2F)c1,ZKFZFPXUEKTVBR-UHFFFAOYSA-N
rxn:4:222363:222699,Cc1cc(CN2CCN(c3c(-c4ccc(C5CCCNC5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BRINKPSDEPMWLM-UHFFFAOYSA-N
rxn:4:222363:222700,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)cc4C4CCCNC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UIEJSUZLVSTXQP-UHFFFAOYSA-N
rxn:4:222363:222742,Cc1cc(CN2CCN(c3c(-c4cc(C5CCNCC5)nc(C5CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GXCXNTGSFZWUKB-UHFFFAOYSA-N
rxn:4:222363:223498,Cc1cc(CN2CCN(c3c(-c4ccc(C(=O)N5CCCN(C(=O)OC(C)(C)C)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VDVFRAYNVHHNSF-UHFFFAOYSA-N
rxn:4:222363:223520,Cc1cc(CN2CCN(c3c(-c4ccc(C(C)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PPVVOGIPVMWJJY-UHFFFAOYSA-N
rxn:4:222363:223528,Cc1cc(CN2CCN(c3c(-c4ccc(F)c(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,MHFGVVASUBVUFT-UHFFFAOYSA-N
rxn:4:222363:223577,Cc1cc(CN2CCN(c3c(-c4ccc(OC5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LQUFZEKBXQLLAD-UHFFFAOYSA-N
rxn:4:222363:223588,Cc1cc(CN2CCN(c3c(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RCUUBFYOKAEIII-UHFFFAOYSA-N
rxn:4:222363:223590,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YOXJOYVMFNUQNG-UHFFFAOYSA-N
rxn:4:222363:223707,Cc1cc(CN2CCN(c3c(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,MMQPLWQUQXANPO-UHFFFAOYSA-N
rxn:4:222363:223845,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DCBOOSYJSTXLKB-UHFFFAOYSA-N
rxn:4:222363:224256,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(C(=O)N5CCCCC5C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SZEAUEZEODESCP-UHFFFAOYSA-N
rxn:4:222363:224281,COc1cc(OC)c2cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c(OC)nc2c1,QSVJVPGVJPVRGF-UHFFFAOYSA-N
rxn:4:222363:224303,Cc1cc(CN2CCN(c3c(-c4ccc(O[Si](C)(C)C(C)(C)C)c(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XITJAMKCDOZVDR-UHFFFAOYSA-N
rxn:4:222363:224664,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(CN5CCN(C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,APRLSNSQTCKLEL-UHFFFAOYSA-N
rxn:4:222363:224736,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)cc4OCC(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DTZCXMJIXFKGQG-UHFFFAOYSA-N
rxn:4:222363:225601,Cc1cc(CN2CCN(c3c(-c4ccc(C5(C#N)CCC5)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LTIJENGUBUKGGO-UHFFFAOYSA-N
rxn:4:222363:225967,Cc1cc(CN2CCN(c3c(-c4cnc(-n5ccnc5C)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NUMVOZRSOURILI-UHFFFAOYSA-N
rxn:4:222363:227155,Cc1cc(CN2CCN(c3c(-c4cc(C)c5cnn(C)c5c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KLCWKNYGYINWPH-UHFFFAOYSA-N
rxn:4:173609:223841,CCOC(=O)c1c(-c2ccccc2)oc2cc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)c(OC(C)=O)cc12,DTIAOEQJFNHETQ-UHFFFAOYSA-N
rxn:4:212832:224290,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc1)SCC2,JRGBMGILTNYXDZ-UHFFFAOYSA-N
rxn:4:213448:222742,COc1ccc(C2CC(c3c(C)nc4ccc(-c5cc(C6CCNCC6)nc(C6CC6)c5)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,RVCNELWQUTXKMM-UHFFFAOYSA-N
rxn:4:221555:223603,Cc1c(C)n2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3cccnc3)c(OC(F)(F)F)cc2Cl)cc1,FBYYHIIHEVCDKV-UHFFFAOYSA-N
rxn:4:221782:222628,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c(C)c1,MFQVRSPVONTWQS-UHFFFAOYSA-N
rxn:4:221786:223698,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCCC5)c4)cc3)c(=O)n2C)cc1C,AZIUAHFWWQMHEU-UHFFFAOYSA-N
rxn:4:222137:223806,COc1ccc(COc2c(F)ccc(-c3ccc(-n4c(C)cn5c6c(=O)n(CCN7CCOCC7)c(=O)n(C)c6nc45)cc3)c2F)cc1,ORIHNRBURVQCPX-UHFFFAOYSA-N
rxn:4:222138:223600,Cc1ccc(S(=O)(=O)n2cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCN5CCOCC5)c(=O)n4C)cc3)c3cc(Cl)cnc32)cc1,HJBVPALMCFFANR-UHFFFAOYSA-N
rxn:4:222138:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCOCC4)c(=O)n3C)cc2)CC1,DCVVOXBHIZDSTC-UHFFFAOYSA-N
rxn:4:222272:222389,Cc1ccc(Cn2nnc3c(=O)n(Cc4nc(-c5ccc(F)c(-c6cc(C7CCNCC7)nc(C7CCNCC7)c6)c5)no4)cnc32)cc1,SUCBOLFLFFGVIK-UHFFFAOYSA-N
rxn:4:222353:222461,CCc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6c(F)cc(F)c7sc(NC(=O)OC(C)(C)C)nc67)cc5)c(C)nn43)c2=O)[nH]1,ZHIAEFXDYMQOBG-UHFFFAOYSA-N
rxn:4:222362:223480,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,BKEYYLYUJCWKKB-UHFFFAOYSA-N
rxn:4:222362:223492,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LXSBSCHKCQWIOG-UHFFFAOYSA-N
rxn:4:222362:223530,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)ccc6CN6CCN(C(=O)OC(C)(C)C)CC6)cc6[nH]ncc56)nn4)cn3c2)CC1,DOFUEQMHHSLRNF-UHFFFAOYSA-N
rxn:4:222362:223541,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(F)cc6S(=O)(=O)N6CCC7(CC6)OCCO7)cc6[nH]ncc56)nn4)cn3c2)CC1,XRCVZXLXDQUXED-UHFFFAOYSA-N
rxn:4:222362:223573,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,FDHQSCKWTFYWFV-UHFFFAOYSA-N
rxn:4:222362:223574,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(CN7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,SIZGCQCXRUJQKV-UHFFFAOYSA-N
rxn:4:222362:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)CC1,MBKHOVQGKUUYGO-UHFFFAOYSA-N
rxn:4:222363:222426,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)C4(CCN(C(=O)OC(C)(C)C)CC4)C(=O)N5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YWUWDWUMJVOBGI-UHFFFAOYSA-N
rxn:4:222363:222458,Cc1cc(CN2CCN(c3c(-c4cc(C(=O)Nc5cccc([N+](=O)[O-])c5)ccc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,URWSOVCOQJMEPN-UHFFFAOYSA-N
rxn:4:222363:222622,CCC(C)c1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc(C2CCCNC2)n1,FYQOHHYQYKJEAE-UHFFFAOYSA-N
rxn:4:222363:222785,Cc1cc(CN2CCN(c3c(-c4ccc(F)c(NC(=O)OC(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PPIASCWEXAVMTL-UHFFFAOYSA-N
rxn:4:222363:223492,Cc1cc(CN2CCN(c3c(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CBMWRMQNQJJOCO-UHFFFAOYSA-N
rxn:4:222363:223521,Cc1cc(CN2CCN(c3c(-c4cccc(C(C)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YDJIRUBZLNATRM-UHFFFAOYSA-N
rxn:4:222363:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c3ccccc23)CC1,XSCXNHAEAKSPMC-UHFFFAOYSA-N
rxn:4:222363:223536,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PHPCBWABBIAZJP-UHFFFAOYSA-N
rxn:4:222363:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,CDSBLIJMCCHENI-UHFFFAOYSA-N
rxn:4:222363:223975,Cc1cc(CN2CCN(c3c(-c4cn(C(=O)OC(C)(C)C)c5ccc(Cl)nc45)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UYKAPBAMQAJWRA-UHFFFAOYSA-N
rxn:4:222363:224205,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(F)c4OCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UNRRPZSZVIJXID-UHFFFAOYSA-N
rxn:4:222363:224212,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OCc4ccccc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,FOXPRIQJLXARTM-UHFFFAOYSA-N
rxn:4:222363:224238,Cc1cc(CN2CCN(c3c(-c4ccc(F)c(OCc5ccccc5)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QCRUMDLEJIGZKD-UHFFFAOYSA-N
rxn:4:222363:224705,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCC(C)CC5)c(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VXXHDRLQFKCAAE-UHFFFAOYSA-N
rxn:4:222363:224780,Cc1cc(CN2CCN(c3c(-c4ccc(C5CCOC5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YZLSJKJOYKAREC-UHFFFAOYSA-N
rxn:4:222363:225273,CCCOc1cc(C(F)(F)F)ccc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,SRJHPTKLDQONCQ-UHFFFAOYSA-N
rxn:4:222363:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,JMJYNHCQXAZJJC-UHFFFAOYSA-N
rxn:4:222363:227463,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)c5ccoc45)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UTITWDUPTUJGTP-UHFFFAOYSA-N
rxn:4:212839:222695,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C)c(S(=O)(=O)NC5CCCC5)c4)ccn23)CC1,YYQOHJQPSKQRGL-UHFFFAOYSA-N
rxn:4:212839:224187,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OCCN5CCCCC5)cc4F)ccn23)CC1,CJRMWBOGRUOIBQ-UHFFFAOYSA-N
rxn:4:219163:222389,CC(C)Cc1nc(SCc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)c2c(=O)n(C)c(=O)n(C)c2n1,PCEALGRUUQXMEA-UHFFFAOYSA-N
rxn:4:221273:222538,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,BNVKSEAVJDXPTD-UHFFFAOYSA-N
rxn:4:221563:224195,CCN1CCN(Cc2cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCC(C)C)c(=O)n4C)cc3)ccc2Cl)CC1,FNGXQSXMUVXHEV-UHFFFAOYSA-N
rxn:4:221988:222389,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)ccc3OC)nnc12,RTQNVZJPMPSRMZ-UHFFFAOYSA-N
rxn:4:222144:224018,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)cc1,LXSUHGXHHNOAKM-UHFFFAOYSA-N
rxn:4:222246:222389,CCOc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5cccc(-c6cc(C7CCNCC7)nc(C7CCNCC7)c6)c5)no4)cnc32)cc1,GPSREJLXVLKNKK-UHFFFAOYSA-N
rxn:4:222250:223699,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(S(=O)(=O)N6CCOCC6)cc5C(F)(F)F)cc4)c(=O)n(C)c3nc2n1CCCn1ccnc1,GQVFWEBBJZSHHW-UHFFFAOYSA-N
rxn:4:222349:223522,Cn1cnc2c(N3CC4CN(C(=O)c5cncc(-c6cc(F)cc(N7CCC(O[Si](C)(C)C(C)(C)C)CC7)c6)c5)CC4C3)ncnc21,BBTZAVJIVCDCKA-UHFFFAOYSA-N
rxn:4:222362:222460,COc1cc(NS(=O)(=O)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)ccc1F,QLZUNRPYRKAXRK-UHFFFAOYSA-N
rxn:4:222362:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c3ccccc23)CC1,LUXPTHQVZSEKRN-UHFFFAOYSA-N
rxn:4:222362:223606,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(S(=O)(=O)N7CCC8(CC7)OCCO8)c(F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,CDDSWBLOKAAXOP-UHFFFAOYSA-N
rxn:4:222362:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(F)cc2C)CC1,GNSPMPUAHQZAHH-UHFFFAOYSA-N
rxn:4:222362:223992,Cc1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1S(=O)(=O)N1CCN(C)CC1,OQOHEOHNTTURFS-UHFFFAOYSA-N
rxn:4:222362:226138,Cc1cc(C#N)cc(C2CC2)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,USWQNFAUGMTCLO-UHFFFAOYSA-N
rxn:4:222363:222438,Cc1cc(CN2CCN(c3c(-c4cc(C(=O)Nc5cc([N+](=O)[O-])ccc5F)ccc4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KIEJFTWKWOUUQX-UHFFFAOYSA-N
rxn:4:222363:222715,Cc1cc(CN2CCN(c3c(-c4cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,TYAXXARJJNPZJV-UHFFFAOYSA-N
rxn:4:222363:223007,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(C5CCNCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GSYAQXLFGDCIKC-UHFFFAOYSA-N
rxn:4:222363:223478,Cc1cc(CN2CCN(c3c(-c4cccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XLIVBNCCCMSGLG-UHFFFAOYSA-N
rxn:4:222363:223493,Cc1cc(CN2CCN(c3c(-c4cc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)ccc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DCHVOBPACFZPLM-UHFFFAOYSA-N
rxn:4:222363:223505,Cc1cc(CN2CCN(c3c(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CMUKQKYBXYGJFN-UHFFFAOYSA-N
rxn:4:222363:223531,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YIPUAXMEAJYNNJ-UHFFFAOYSA-N
rxn:4:222363:223589,Cc1cc(CN2CCN(c3c(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VVKRMVYKONWRHD-UHFFFAOYSA-N
rxn:4:222363:223593,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,FPMBEMJZRAOYJJ-UHFFFAOYSA-N
rxn:4:222363:223687,Cc1cc(CN2CCN(c3c(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LDXWDEWGVWCOJS-UHFFFAOYSA-N
rxn:4:222363:223908,COc1ccc(COc2cc(Cl)ccc2-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc1,QDUZBTXWASWUSS-UHFFFAOYSA-N
rxn:4:222363:223960,CCN1CCN(C(=O)c2cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)ccc2F)CC1,WWIJZIPOHCPTAS-UHFFFAOYSA-N
rxn:4:222363:224065,Cc1cc(CN2CCN(c3c(-c4cc(C5CC5)cc(N5CCC(C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KOLHGTMGKKPEMB-UHFFFAOYSA-N
rxn:4:222363:224280,Cc1cc(CN2CCN(c3c(-c4cc5c(s4)CCN(C(=O)OC(C)(C)C)C5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YLWZOWANTLVNPS-UHFFFAOYSA-N
rxn:4:222363:224581,Cc1ccn(-c2ccc(C3CC3)c(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2)n1,SFBFGYXHTNBPPI-UHFFFAOYSA-N
rxn:4:222363:225408,Cc1cc(CN2CCN(c3c(-c4cc5c6c(c4)CCCN6CCC5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JHPDYHSAMUSPOC-UHFFFAOYSA-N
rxn:4:222363:226768,CSc1ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc1C(F)(F)F,SMTQGFAIKQDLIH-UHFFFAOYSA-N
rxn:4:219680:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(CSc4nc(-c5ccco5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)ncc21,MJAUJOPEFNKDTH-UHFFFAOYSA-N
rxn:4:221270:223845,CCOCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)n(C)c1=O,PLMILIIJVNUJHV-UHFFFAOYSA-N
rxn:4:222144:224015,Cc1cc(F)c(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cc1S(=O)(=O)N1CCOCC1,RDGKNQPJZYCAJX-UHFFFAOYSA-N
rxn:4:222362:222621,CC(C)Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C2CCCNC2)n1,HQFFSIFAEDPXHT-UHFFFAOYSA-N
rxn:4:222362:222997,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(Cl)cc6C6CCCNC6)cc6[nH]ncc56)nn4)cn3c2)CC1,XPYFGFNOFULDOG-UHFFFAOYSA-N
rxn:4:222362:223245,COc1c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc2[nH]ncc12,GTUCFQHEFZVAOB-UHFFFAOYSA-N
rxn:4:222362:223529,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)c(F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,NBFJNZQBYNHWNW-UHFFFAOYSA-N
rxn:4:222362:223532,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)cc(CN7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,PVGHTDAPSIWARI-UHFFFAOYSA-N
rxn:4:222362:223591,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(N7CCN(C(=O)OC(C)(C)C)CC7)ccc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,JMQUIQGWZVVFIJ-UHFFFAOYSA-N
rxn:4:222362:223594,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(Cl)cc(N7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,VZCFZCFAYSULEY-UHFFFAOYSA-N
rxn:4:222362:223642,Cc1ccc(S(=O)(=O)n2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c3ccccc32)cc1,FVKVHSIVGLUIOO-UHFFFAOYSA-N
rxn:4:222362:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2C)CC1,NKTOMNCZTGKYJJ-UHFFFAOYSA-N
rxn:4:222362:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,TXZFSTPXQWRKBI-UHFFFAOYSA-N
rxn:4:222362:223734,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OCc7ccc(C(C)(C)C)cc7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,PNSITCRNGFHWTM-UHFFFAOYSA-N
rxn:4:222362:223749,COc1ccc(Cn2cnc3cc(-c4cc(-c5cn(Cc6cn7cc(CN8CCC(C)(C)CC8)ccc7n6)nn5)c5cn[nH]c5c4)ccc32)cc1,DYBRXGCVVMUVOX-UHFFFAOYSA-N
rxn:4:222362:223814,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CN7CCC8(CC7)OCCO8)cc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,VUNXGQLGNOQPIJ-UHFFFAOYSA-N
rxn:4:222362:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)CC1,OBHJGBWQLNTHRT-UHFFFAOYSA-N
rxn:4:222362:223841,Cc1cc(F)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1S(=O)(=O)N1CCN(C)CC1,RNBQRHVMXORZRG-UHFFFAOYSA-N
rxn:4:222362:223883,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc7c(c6)CCCN7C(=O)OC(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,YUDBMQIJWDWMDS-UHFFFAOYSA-N
rxn:4:222362:224115,COc1cc(OCc2ccccc2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,HKMMVGNSNAUQHW-UHFFFAOYSA-N
rxn:4:222362:224192,CCN1CCN(Cc2ccc(F)cc2-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)CC1,RENHOZORFKXHOP-UHFFFAOYSA-N
rxn:4:222362:224195,CCN1CCN(Cc2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2Cl)CC1,LAMMGPDORIMPDV-UHFFFAOYSA-N
rxn:4:222362:224668,CCN1CCN(c2cc(F)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,NKWZRPMIAHQUSS-UHFFFAOYSA-N
rxn:4:222363:222532,Cc1ccc(C)c(NC(=O)c2cccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2)c1,RZFGEBJRUBDTSW-UHFFFAOYSA-N
rxn:4:222363:223533,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XDYLHTZJHXHUKG-UHFFFAOYSA-N
rxn:4:222363:223534,Cc1cc(CN2CCN(c3c(-c4cc(OC5CCN(C(=O)OC(C)(C)C)CC5)ncc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XGABEXUTHXZDCC-UHFFFAOYSA-N
rxn:4:222363:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c(F)cc2C)CC1,KUWOAVPYTYYNAK-UHFFFAOYSA-N
rxn:4:222363:223814,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCC6(CC5)OCCO6)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SGJQBVBNWWKDQN-UHFFFAOYSA-N
rxn:4:222363:223878,Cc1cc(CN2CCN(c3c(-c4cc(C)c(OCc5ccc(Cl)cc5)c(C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PMOBFYJQBSDXHW-UHFFFAOYSA-N
rxn:4:222363:224208,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OCc4cccc(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,FKDNTQRVNFPDCU-UHFFFAOYSA-N
rxn:4:222363:224218,Cc1cc(CN2CCN(c3c(-c4c(F)ccc(OCc5ccccc5)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NROWJZIEXXGPID-UHFFFAOYSA-N
rxn:4:222363:224221,Cc1cc(CN2CCN(c3c(-c4c(OCc5ccccc5)ccc(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BKXUVLGLTRCKJA-UHFFFAOYSA-N
rxn:4:222363:224661,COc1ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c(-n2nc(C)cc2C)c1,RGSFOTIKNWWKGP-UHFFFAOYSA-N
rxn:4:222363:224730,Cc1cc(CN2CCN(c3c(-c4cc(C(F)(F)F)ccc4OCC(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CVRVGQOAQBPSMC-UHFFFAOYSA-N
rxn:4:222363:225056,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCCC(C)C5)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JUTVAEVJSFHNQI-UHFFFAOYSA-N
rxn:4:222363:225547,CCCCOc1cc(F)c(C)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,ASJLZAHXWDYFES-UHFFFAOYSA-N
rxn:4:222363:227777,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)cc4[N+](=O)[O-])cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JDSKVWNWUGYJHW-UHFFFAOYSA-N
rxn:4:212845:222700,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5ccc(C(F)(F)F)cc5C5CCCNC5)c4)n(Cc4ccco4)c(=O)c23)C1,ISHXJRPSIVTLNQ-UHFFFAOYSA-N
rxn:4:221735:222389,Cn1c(=O)c2c(nc(N3CCCCC3)n2Cc2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)n(C)c1=O,ZUZBUVJEAVPEJO-UHFFFAOYSA-N
rxn:4:221995:224916,Cc1cc(N2CCCC(C)C2)ccc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,MDSKDPFGVZOZQR-UHFFFAOYSA-N
rxn:4:222126:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,SHLREPMZEWHDBP-KWQFAZJVSA-N
rxn:4:222132:223578,COc1ccc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,LEVUWBSLNXALAE-UHFFFAOYSA-N
rxn:4:222195:222389,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)CC1,FPWKQKGZIGVJAE-UHFFFAOYSA-N
rxn:4:222250:222423,COc1c(-c2ccc(Cn3c(=O)c4c(nc5n(CCCn6ccnc6)c(C)cn45)n(C)c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,AUGDBGGCMBOSTR-UHFFFAOYSA-N
rxn:4:222352:223570,CSc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6c(F)ncc7c6ccn7[Si](C(C)C)(C(C)C)C(C)C)cc5)c(C)nn43)c2=O)[nH]1,HUGWPBCKDVTZFB-UHFFFAOYSA-N
rxn:4:222353:223953,CCc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6cc(F)cc(N7CCN(CCOC)CC7)c6)cc5)c(C)nn43)c2=O)[nH]1,RLMRDZWPHQBJRG-UHFFFAOYSA-N
rxn:4:222362:222848,CCc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C2CCCNC2)n1,KOYFMBMJTAUEGV-UHFFFAOYSA-N
rxn:4:222362:223495,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(-c7ccc(-c8ccccc8)cc7)c7ccccc67)cc6[nH]ncc56)nn4)cn3c2)CC1,WWBMZIYVAPHVRO-UHFFFAOYSA-N
rxn:4:222362:223505,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(S(=O)(=O)N7CCN(C(=O)OC(C)(C)C)CC7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,XOKHJWBGIVIYRF-UHFFFAOYSA-N
rxn:4:222362:223521,CC(c1cccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,ZHRKARONHYWPNU-UHFFFAOYSA-N
rxn:4:222362:223536,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(F)c(N7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,PWCJCANEBZUCOH-UHFFFAOYSA-N
rxn:4:222362:223636,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C7CCCN(C(=O)OC(C)(C)C)C7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,GIMOWUCCBIKPEU-UHFFFAOYSA-N
rxn:4:222362:223643,Cc1ccc(S(=O)(=O)n2c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc3ccccc32)cc1,IOWGGLGRILKWEG-UHFFFAOYSA-N
rxn:4:222362:223733,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(OCc7ccc(C(C)(C)C)cc7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,WPQYDWFIMUSPPI-UHFFFAOYSA-N
rxn:4:222362:223808,COc1ccc(COc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(F)c2F)cc1,FSNOGWCWTZIMAS-UHFFFAOYSA-N
rxn:4:222362:223924,COc1cccc(Cl)c1-c1cccc(OC)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,BBUPQXVSSVIEJA-UHFFFAOYSA-N
rxn:4:222362:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,RKFRGDHGQFZFQQ-UHFFFAOYSA-N
rxn:4:222362:224071,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(-c7ccc([Si](C)(C)C)cc7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,HUJYSLKPODUYQY-UHFFFAOYSA-N
rxn:4:222362:224196,CCN1CCN(Cc2cc(F)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,ISQDXFHMGLEZLP-UHFFFAOYSA-N
rxn:4:222362:224596,COc1cc(N2CCCCC2C)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,GAXYCUTVKMJJEX-UHFFFAOYSA-N
rxn:4:222362:224628,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(Cl)cnc6OCc6ccccc6)cc6[nH]ncc56)nn4)cn3c2)CC1,OUNQCTUKVPLNLD-UHFFFAOYSA-N
rxn:4:222363:222445,COc1cccc(CNC(=O)c2cccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2F)c1,PVUPTZBCUJQQMF-UHFFFAOYSA-N
rxn:4:222363:222452,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)c(NC(=O)OCc5ccccc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CLRNHAHXTGCKAW-UHFFFAOYSA-N
rxn:4:222363:223068,Cc1cc(CN2CCN(c3c(-c4ccc5[nH]c(C(F)(F)F)cc5c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XEZLWJISVLBCEM-UHFFFAOYSA-N
rxn:4:222363:223809,Cc1cc(CN2CCN(c3c(-c4cc(N5CCOCC5)cc(N5CCOCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CCPLCJKMMUGANP-UHFFFAOYSA-N
rxn:4:222363:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)CC1,JALJQQIEBVLGGP-UHFFFAOYSA-N
rxn:4:222363:223917,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(C(=O)N(C)C5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IYJHNYPNPVKZCR-UHFFFAOYSA-N
rxn:4:222363:224007,Cc1cc(CN2CCN(c3c(-c4cc(OC(F)(F)F)cc(OCC(C)C)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WPGAJTWIGGKABP-UHFFFAOYSA-N
rxn:4:222363:224064,Cc1cc(CN2CCN(c3c(-c4cc(C5CC5)cc(N5CCCCC5C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LHORCDTWZQWVPA-UHFFFAOYSA-N
rxn:4:222363:224235,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)cc4OCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QDQUETWEZJXNAY-UHFFFAOYSA-N
rxn:4:222363:224307,Cc1cc(CN2CCN(c3c(-c4c(F)cc(O[Si](C)(C)C(C)(C)C)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JNUKBJVILMLJTE-UHFFFAOYSA-N
rxn:4:222363:225053,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCCCC5C)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VHZHGMANOGKJRI-UHFFFAOYSA-N
rxn:4:222363:225602,Cc1cc(CN2CCN(c3c(-c4cc(C5(C#N)CCC5)ccc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,MMMOHBGYHHJYTD-UHFFFAOYSA-N
rxn:4:222363:225666,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(N5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AWHPNRJIMOKCFO-UHFFFAOYSA-N
rxn:4:173639:222423,COc1c(-c2ccc(-c3cc(OC(=O)COc4ccc(Cl)cc4)cc4sc(=O)oc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YKJBEJCQHOSFLM-UHFFFAOYSA-N
rxn:4:213371:222389,CCCc1cnc2c(c1SCc1ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc1)c(=O)n(C)c(=O)n2C,QVYMKDDGVQODHA-UHFFFAOYSA-N
rxn:4:221761:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4c(F)cccc4Cl)c(=O)n3C)cc2)CC1,XHKYDNYGPZSLCZ-UHFFFAOYSA-N
rxn:4:221987:223491,COCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)cc(C(F)(F)F)c4)ccc3OC)nnc12,YALOMKDIWQQYEO-UHFFFAOYSA-N
rxn:4:222137:223824,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(C(F)(F)F)cnc2OCc2ccccc2)cc1,ARXNNFLKMXXHDH-UHFFFAOYSA-N
rxn:4:222138:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCOCC4)c(=O)n3C)cc2)CC1,SPTSGNMBDDZLJV-UHFFFAOYSA-N
rxn:4:222144:223835,Cc1cc(F)c(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cc1S(=O)(=O)N1CCC(C)CC1,COELQUIMCCRTTM-UHFFFAOYSA-N
rxn:4:222144:223894,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cccc(OCCCN3CCN(C)CC3)c2)cc1,YOKZGDFROVFEAC-UHFFFAOYSA-N
rxn:4:222195:222630,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c2)CC1,QMWBRLDCUCRXLV-UHFFFAOYSA-N
rxn:4:222362:222426,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc7c(c6)C6(CCN(C(=O)OC(C)(C)C)CC6)C(=O)N7)cc6[nH]ncc56)nn4)cn3c2)CC1,MLYIGADCUNOOBV-UHFFFAOYSA-N
rxn:4:222362:222538,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C7CCCC7)nc(C7CCNCC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,LVSWWLLYLAEZSE-UHFFFAOYSA-N
rxn:4:222362:223520,CC(c1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,RQTQBMXJDMHMFE-UHFFFAOYSA-N
rxn:4:222362:223659,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cnn(CC7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,HUSQGQCXEJVUMK-UHFFFAOYSA-N
rxn:4:222362:223660,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)s6)cc6[nH]ncc56)nn4)cn3c2)CC1,DATNIEXLPVKVBG-UHFFFAOYSA-N
rxn:4:222362:223730,Cc1ccc(C(C)C)c(OCc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)c1,XBOFETUCZXAPOU-UHFFFAOYSA-N
rxn:4:222362:223812,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)cc(CN7CCC8(CC7)OCCO8)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,GKFKSBJNAGSZAE-UHFFFAOYSA-N
rxn:4:222362:223835,Cc1cc(F)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1S(=O)(=O)N1CCC(C)CC1,WFLQPVVYLWOJKQ-UHFFFAOYSA-N
rxn:4:222362:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,MUOMGLCKIRQJHX-UHFFFAOYSA-N
rxn:4:222362:224015,Cc1cc(F)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1S(=O)(=O)N1CCOCC1,IIIVUWRJDVFDEV-UHFFFAOYSA-N
rxn:4:222362:224194,CCN1CCN(Cc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2Cl)CC1,ACIIWCLCHUAGBM-UHFFFAOYSA-N
rxn:4:222362:224290,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(Cl)cc6OCCN6CCOCC6)cc6[nH]ncc56)nn4)cn3c2)CC1,GXONLKOUUXSDRT-UHFFFAOYSA-N
rxn:4:222362:224316,CN1CCN(C(=O)c2cc(F)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,IKJFBZVKTJLIEC-UHFFFAOYSA-N
rxn:4:222362:224398,Cc1cc(F)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1S(=O)(=O)N1CCCC1,LZCUFFYVBTYSKG-UHFFFAOYSA-N
rxn:4:222362:224741,COc1cc(C2OCCO2)cc(OC)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,IOBLARJAJSGXSW-UHFFFAOYSA-N
rxn:4:222362:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,LIGBPOLPKDWAAY-UHFFFAOYSA-N
rxn:4:222362:226044,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,KPAOUUBQWNZFHT-UHFFFAOYSA-N
rxn:4:222362:226783,COc1cc(F)c(F)c(OC)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,RSNYKPCDXMIOLU-UHFFFAOYSA-N
rxn:4:222363:222411,CNC(=S)Nc1ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc1,DOTSFQOWFPHDMR-UHFFFAOYSA-N
rxn:4:222363:222602,Cc1cc(CN2CCN(c3c(-c4cc(CC(C)C)sc4S(=O)(=O)NC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OVQGAXLCZQGUJM-UHFFFAOYSA-N
rxn:4:222363:223529,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NUGXQTBZOBCLBK-UHFFFAOYSA-N
rxn:4:222363:223532,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GYKAWJCMGRVAJQ-UHFFFAOYSA-N
rxn:4:222363:224213,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OCc4cccc(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GKSGCHJHFKOPAT-UHFFFAOYSA-N
rxn:4:222363:224229,Cc1cc(CN2CCN(c3c(-c4cc(F)c(OCc5ccccc5)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DSUINYCJFYMTNR-UHFFFAOYSA-N
rxn:4:222363:224305,Cc1cc(CN2CCN(c3c(-c4ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YRVCZKVLKNVVPT-UHFFFAOYSA-N
rxn:4:222363:224337,Cc1cc(CN2CCN(c3c(-c4cnc(C(F)(F)F)c(C5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DIZOBNRHZMRGTM-UHFFFAOYSA-N
rxn:4:222363:224557,Cc1cc(CN2CCN(c3c(-c4ccccc4OCc4ccccc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WNMLWQRWLKOUHJ-UHFFFAOYSA-N
rxn:4:222363:224775,Cc1cc(CN2CCN(c3c(-c4cnc(C(F)(F)F)c(C5CCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HJXOLJSOIVVBOY-UHFFFAOYSA-N
rxn:4:222363:225328,CCCSc1ncc(C(F)(F)F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,FGARWJGHBRPWJP-UHFFFAOYSA-N
rxn:4:222363:227661,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,STAJOKOVXDHANS-UHFFFAOYSA-N
rxn:4:200021:222389,CCCCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,FXHXESZHWSJSMX-UHFFFAOYSA-N
rxn:4:201186:222389,CCCOc1ccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,XSBYIWJVLAGCMU-UHFFFAOYSA-N
rxn:4:219527:222389,O=C(c1cncc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1,RUJOCEQUZBHLGF-UHFFFAOYSA-N
rxn:4:221252:222628,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc1,XPCPSDHCFVVBBC-UHFFFAOYSA-N
rxn:4:221530:222389,Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(-c6cc(C7CCNCC7)nc(C7CCNCC7)c6)c5)no4)ccn3n2)cc1C,PRGHLNBMNUNGNX-UHFFFAOYSA-N
rxn:4:221531:222389,Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(F)c(-c6cc(C7CCNCC7)nc(C7CCNCC7)c6)c5)no4)ccn3n2)cc1C,BNABLHBWVXPXIF-UHFFFAOYSA-N
rxn:4:221538:222537,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1,CERRIZNKLAIRTF-UHFFFAOYSA-N
rxn:4:221574:222389,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)cc1,KIGJLOHEHYIRLX-UHFFFAOYSA-N
rxn:4:221766:223845,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)cc1,PDXFLQGLOHQFIG-UHFFFAOYSA-N
rxn:4:221929:222423,COc1c(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,AHDOVEZDUVFNQX-UHFFFAOYSA-N
rxn:4:222138:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1,WGWBPCGLQGLJFP-UHFFFAOYSA-N
rxn:4:222144:224765,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(C(F)(F)F)ccc2N2CCCC2)cc1,DICWNDNLULGCPM-UHFFFAOYSA-N
rxn:4:222144:225273,CCCOc1cc(C(F)(F)F)ccc1-c1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1,FAELDHNPXYCMCY-UHFFFAOYSA-N
rxn:4:222362:222452,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(F)c(NC(=O)OCc7ccccc7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,MRNVUQMZBIFSRB-UHFFFAOYSA-N
rxn:4:222362:222462,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6c(F)cc7nc(NC(=O)OC(C)(C)C)sc7c6F)cc6[nH]ncc56)nn4)cn3c2)CC1,PMNPILXRFXBKAE-UHFFFAOYSA-N
rxn:4:222362:223534,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(OC7CCN(C(=O)OC(C)(C)C)CC7)ncc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,LYDIESCWYVVLRA-UHFFFAOYSA-N
rxn:4:222362:223736,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OCc7ccccc7)c(C(C)(C)C)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,BZJRULNCDMJSJN-UHFFFAOYSA-N
rxn:4:222362:223891,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6c(F)ccc7c6ccn7[Si](C)(C)C(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,OYEFAMSHBBJOSW-UHFFFAOYSA-N
rxn:4:222362:223997,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C)c1S(=O)(=O)N1CCOCC1,WHPUJWAGMAXYHN-UHFFFAOYSA-N
rxn:4:222362:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2F)CC1,HZTZAWDBFSPMIW-UHFFFAOYSA-N
rxn:4:222362:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)CC1,FHHLRQRSPUHUQX-OZIXAUCHSA-N
rxn:4:222362:224303,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(O[Si](C)(C)C(C)(C)C)c(F)c6F)cc6[nH]ncc56)nn4)cn3c2)CC1,LIYOQEMETLZVNK-UHFFFAOYSA-N
rxn:4:222363:222482,Cc1ccc(NC(=O)c2ccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)cc2F)c(C)c1,GXQADGXDDZRMQW-UHFFFAOYSA-N
rxn:4:222363:222483,Cc1ccc(NC(=O)c2ccc(F)c(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2)c(C)c1,XDHYRLBEJZPVMM-UHFFFAOYSA-N
rxn:4:222363:222704,Cc1cc(CN2CCN(c3c(-c4ccc(C5CCNCC5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SAYFCEMLUDIYFX-UHFFFAOYSA-N
rxn:4:222363:222783,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(NC(=O)OC(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GQITWYJRFJODOB-UHFFFAOYSA-N
rxn:4:222363:223009,Cc1cc(CN2CCN(c3c(-c4cc(Cl)cc(C5CCNCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZHOAPEQSBXBYCX-UHFFFAOYSA-N
rxn:4:222363:223067,CC(=O)Nc1nc2ccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)cc2s1,QWQKHICXFARKAY-UHFFFAOYSA-N
rxn:4:222363:223640,CCOC12C(=O)c3cc(F)cc(-c4cnc5nc(-c6ccc(N7CCN(C)CC7)cc6)[nH]c5c4N4CCN(Cc5cc(C)on5)CC4)c3C(=O)C1C2(C)C,BEQZIEMEXVSXLS-UHFFFAOYSA-N
rxn:4:222363:224227,Cc1cc(CN2CCN(c3c(-c4cc(F)c(OCc5ccccc5)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CNGCFBUSBVRHMM-UHFFFAOYSA-N
rxn:4:222363:224306,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)cc4OC4CCCC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OXCVFWHPWICXDV-UHFFFAOYSA-N
rxn:4:222363:224842,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SAEOXGDVLFYHSO-UHFFFAOYSA-N
rxn:4:222363:225821,Cc1cc(CN2CCN(c3c(-c4ccc(C5CC5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BWFBUWRWAIJILG-UHFFFAOYSA-N
rxn:4:212846:222730,CCCc1cc(-c2ccc(CSc3nc4sc5c(c4c(=O)n3Cc3ccco3)CCN(C(C)=O)C5)cc2)cc(C2CCNCC2)n1,AMGPTPPFIXBKOL-UHFFFAOYSA-N
rxn:4:213450:222389,Cc1nc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,FNELQHJURPTBEM-UHFFFAOYSA-N
rxn:4:221252:223841,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)cc1,DZPPVRYWCHNHRH-UHFFFAOYSA-N
rxn:4:221776:223845,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,DXFZHSVUQMYOBU-UHFFFAOYSA-N
rxn:4:221794:222622,CCC(C)c1cc(-c2ccc3nc(SCc4cc(=O)n5cc(Cl)ccc5n4)n4c5ccccc5nc4c3c2)cc(C2CCCNC2)n1,PAHIVCOOAFVSKN-UHFFFAOYSA-N
rxn:4:221986:223597,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cc2)CC1,VLPFTGHQDJGIDP-UHFFFAOYSA-N
rxn:4:221988:222423,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)ccc3OC)nnc12,CVKYADFEOSUUSE-UHFFFAOYSA-N
rxn:4:221995:222423,COc1c(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IVYVGHOEVJRETN-UHFFFAOYSA-N
rxn:4:222110:222423,CC#CCn1c(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,HAKUKRQPQYIVBO-UHFFFAOYSA-N
rxn:4:222132:222423,COc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,BKSARWOOIGPXLI-UHFFFAOYSA-N
rxn:4:222142:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(-n3c(C)cn4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)CC1,HMPXUIJSFAEXNZ-UHFFFAOYSA-N
rxn:4:222195:222628,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)c2)CC1,KLMZUAIVFKXILC-UHFFFAOYSA-N
rxn:4:222199:222423,COc1c(-c2ccc(-c3nnc4n(Cc5ccccc5)c5c(=O)n(C)c(=O)n(C)c5n34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,UDEDWTRVTDDVOA-UHFFFAOYSA-N
rxn:4:222362:222477,Cc1ccc(CNC(=O)c2cccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2F)cc1,XTVGQPGDPMIUOO-UHFFFAOYSA-N
rxn:4:222362:222492,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(NC(=O)OCc7ccccc7)c(F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,AFBFVOMEFUQZNB-UHFFFAOYSA-N
rxn:4:222362:222498,Cc1ccc(S(=O)(=O)NCc2ccccc2)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,QBMPJERJZFEPNH-UHFFFAOYSA-N
rxn:4:222362:223502,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c(F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,NFUCFSPIMUMREF-UHFFFAOYSA-N
rxn:4:222362:223533,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)cc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,ZXRROQLQGPQCQR-UHFFFAOYSA-N
rxn:4:222362:223588,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,WKZSECRPGCRUHP-UHFFFAOYSA-N
rxn:4:222362:223598,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OCCN7CCC8(CC7)OCCO8)c(F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,DVEKDMFUXVNTJC-UHFFFAOYSA-N
rxn:4:222362:223824,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(F)(F)F)cnc6OCc6ccccc6)cc6[nH]ncc56)nn4)cn3c2)CC1,SLGUMCQDTHPHRB-UHFFFAOYSA-N
rxn:4:222362:224441,CCOc1ccc(-c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)cc1,QYJAHBPXXKORBC-UHFFFAOYSA-N
rxn:4:222362:225274,COCCOc1c(F)cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(C)c1F,TVGABLCEMXLQOG-UHFFFAOYSA-N
rxn:4:222362:226778,COc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(F)c(F)c1OC,BSCVQSUFCQOMJP-UHFFFAOYSA-N
rxn:4:222363:222803,Cc1cc(CN2CCN(c3c(-c4ccc(C5CCNC5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DWPBERNCYXLCLZ-UHFFFAOYSA-N
rxn:4:222363:223962,Cc1cc(CN2CCN(c3c(-c4c(F)ccc(OCc5ccccc5F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KPKRERSEIMOBRD-UHFFFAOYSA-N
rxn:4:222363:224163,Cc1cc(CN2CCN(c3c(-c4ccc5c(cnn5C5CCCCO5)c4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZKZNQHKTDWCAJP-UHFFFAOYSA-N
rxn:4:222363:224301,Cc1cc(CN2CCN(c3c(-c4cc(O[Si](C)(C)C(C)(C)C)cc(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BNQYOJUWRZTGTI-UHFFFAOYSA-N
rxn:4:222363:224572,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCCC(C)C5)cc4C#N)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PLAXAECKUAXLJN-UHFFFAOYSA-N
rxn:4:222363:225127,Cc1cc(CN2CCN(c3c(-c4cc(C)c(F)c(OCC(C)C)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZBBMTUGDAURIDK-UHFFFAOYSA-N
rxn:4:222363:226440,Cc1cc(CN2CCN(c3c(-c4cc(F)nc(C5CCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SDGPOYVHFMDZAE-UHFFFAOYSA-N
rxn:4:213451:222389,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,HOTCQYWIDDGTNI-UHFFFAOYSA-N
rxn:4:216352:222389,Cc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc23)cc1,NYIUWIPXVOZSEI-UHFFFAOYSA-N
rxn:4:218755:222423,COc1c(-c2cc3c(s2)c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n3CC#N)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BQNOPVMGVLFEQT-UHFFFAOYSA-N
rxn:4:218785:222423,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc1-2,QUDRRSWEWIAEQZ-UHFFFAOYSA-N
rxn:4:219188:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(-c2ccccc2)nn2cc(CCN3CCOCC3)c(-c3ccc(F)cc3)nc12,WPSZFKQNWTUWCW-UHFFFAOYSA-N
rxn:4:219590:222423,CC=CCn1c(=O)c2c(nc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)n2CC(C)=O)n(C)c1=O,BEBWWRXUWDXDEA-UHFFFAOYSA-N
rxn:4:219746:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3cccc(C)c3)c(=O)n2C)n1Cc1ccccc1Cl,CRIMMPGXHIVZEL-UHFFFAOYSA-N
rxn:4:219764:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(Cl)cc2c(N3CC4CCC(C3)N4C(=O)OC(C)(C)C)nc(F)nc2c1F,GNTQNYDLKJZGPS-UHFFFAOYSA-N
rxn:4:220239:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c2c(nn1Cc1ccccc1)C(=O)N([C@H]1COc3ccccc3N(C)C1=O)CC2,UIJBWJJBIZKTGP-DHUJRADRSA-N
rxn:4:221219:222423,COc1cc2ncnc(N3CC(Cn4cc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cn4)C3)c2cc1OC,KBLADJDEVSBJIN-UHFFFAOYSA-N
rxn:4:221539:223828,CCN1CCN(c2cc(-c3ccc(Cn4c(CN5CC(C)OC(C)C5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc(C(F)(F)F)c2)CC1,QVGQVCSIPWEFBT-UHFFFAOYSA-N
rxn:4:221562:222389,Cn1c(=O)c2c(nc3n2CCN3c2cccc(OCc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)c2)n(C)c1=O,HUAOIGCVHYCZKN-UHFFFAOYSA-N
rxn:4:221772:223845,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1,PPPFZFIDYRVHME-UHFFFAOYSA-N
rxn:4:221986:222628,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc2)CC1,OCPCWUKWRHEHNP-UHFFFAOYSA-N
rxn:4:222136:222423,CCN1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4)nnn3c3ccccc23)CC1,HNPGWJNCZVEKFA-UHFFFAOYSA-N
rxn:4:222137:223684,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3cccnc3)ccc2OC(F)(F)F)cc1,VGBXMJCKCWNVNH-UHFFFAOYSA-N
rxn:4:222138:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCOCC4)c(=O)n3C)cc2)CC1,SSOHJLYOWADBPM-UHFFFAOYSA-N
rxn:4:222202:222423,COc1c(-c2ccc(-n3c(-c4cccc([N+](=O)[O-])c4)cn4c5c(=O)n(C)c(=O)n(C)c5nc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YDLSHGCPAYAILS-UHFFFAOYSA-N
rxn:4:222362:222482,Cc1ccc(NC(=O)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2F)c(C)c1,CDJTZPWXKBDNDI-UHFFFAOYSA-N
rxn:4:222362:222603,COc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(Cl)cc1NC(=O)OC(C)(C)C,UIERWPAQSOQDCB-UHFFFAOYSA-N
rxn:4:222362:223577,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OC7CCN(C(=O)OC(C)(C)C)CC7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,ZAGHLVHSHRVMGH-UHFFFAOYSA-N
rxn:4:222362:223735,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccccc6OCc6ccc(C(C)(C)C)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,ZQTCCQXCVCMTIV-UHFFFAOYSA-N
rxn:4:222362:223746,COC(=O)c1ccc(C#Cc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)cc1,MYEFJYNUXUKFEB-UHFFFAOYSA-N
rxn:4:222362:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,QHNQABRZCRKIDW-UHFFFAOYSA-N
rxn:4:222362:224573,CC1CCCCN1c1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(C#N)c1,HVWDMWXEWINSMT-UHFFFAOYSA-N
rxn:4:222362:224588,CC1CCN(Cc2cc(F)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,VFENHDNPPIMLRO-UHFFFAOYSA-N
rxn:4:222362:224595,COc1cc(N2CCCC(C)C2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,FNVFIJGIBVZHMM-UHFFFAOYSA-N
rxn:4:222363:222429,Cc1cc(CN2CCN(c3c(-c4ccc(CNC(=O)c5ccc(F)cc5C(F)(F)F)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WCRZHXRYYYAINK-UHFFFAOYSA-N
rxn:4:222363:223504,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c([N+](=O)[O-])c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HMLLTOBNDPZJKA-UHFFFAOYSA-N
rxn:4:222363:223591,Cc1cc(CN2CCN(c3c(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)ccc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WIYVGBRLRYWUQG-UHFFFAOYSA-N
rxn:4:222363:223625,Cc1cc(CN2CCN(c3c(-c4ccc(COc5ccc(C(C)(C)C)cc5C)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BELRMKDXDHCACZ-UHFFFAOYSA-N
rxn:4:222363:223748,Cc1cc(CN2CCN(c3c(-c4cc(N5CCCCC5)cc(N5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DJWPSDNLHOMBEA-UHFFFAOYSA-N
rxn:4:222363:223801,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)cc4OCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LRZAGDKPDNVSRW-UHFFFAOYSA-N
rxn:4:222363:224206,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OCc4ccc(F)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IGKRNWGEFWQQNF-UHFFFAOYSA-N
rxn:4:222363:224395,Cc1cc(CN2CCN(c3c(-c4cc(N5CCOCC5)cc(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AXMVXQPUKHFZAQ-UHFFFAOYSA-N
rxn:4:222363:226737,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)c(C#N)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NPUZTMUJKCKKMC-UHFFFAOYSA-N
rxn:4:215188:222423,COc1c(-c2ccc(N3C(=O)N(c4ccc([N+](=O)[O-])cc4)C4CS(=O)(=O)CC43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JYHSIBPWWMPYGT-UHFFFAOYSA-N
rxn:4:219088:222423,CCCCn1c(=O)c2c(nc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)n2CC(C)=O)n(C)c1=O,NARWCNFWVYHKBG-UHFFFAOYSA-N
rxn:4:219146:222423,COc1c(-c2ccc(-n3ccn4c(SCC(=O)c5ccc(C)cc5C)nnc4c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JUNQCEDVYUCSRR-UHFFFAOYSA-N
rxn:4:219206:222423,COc1cc2ncc3c(-c4cccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)c4)nn(-c4cccc([N+](=O)[O-])c4)c3c2cc1OC,BXFOZERGSBEBGA-UHFFFAOYSA-N
rxn:4:219751:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc(F)nc2c1F,CRXBYRGIPFJKJH-IBGZPJMESA-N
rxn:4:221485:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(C)n(S(=O)(=O)c2ncn(S(=O)(=O)N(C)C)n2)c2cc(F)ccc12,OIIUQFZTSHVXIX-UHFFFAOYSA-N
rxn:4:221545:222423,COc1c(-c2ccc(Cn3c(=O)c4c(nc5n(CCO)c(C)cn45)n(C)c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZSQHCJOBCLKALX-UHFFFAOYSA-N
rxn:4:221772:223570,CC1CN(c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1,NYYMVYZVYDRZQC-UHFFFAOYSA-N
rxn:4:221777:223845,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,KTMURLAEQNMXEB-UHFFFAOYSA-N
rxn:4:221793:223845,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1,YHFHXSFZDYULNK-UHFFFAOYSA-N
rxn:4:221928:222423,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)ccc3OC)nnc12,PDFCGCRPSSHONK-UHFFFAOYSA-N
rxn:4:221929:222701,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(C6CCCNC6)cc(C(F)(F)F)c5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,YELHOLXPWZHNAJ-UHFFFAOYSA-N
rxn:4:221980:222423,COc1c(-c2cncc(-c3nn4c(=O)cc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4s3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZNIXSXHSJVJISD-UHFFFAOYSA-N
rxn:4:222134:223728,CCCCCC1CCC(c2ccc(-c3ccc(Cn4c5c(=O)n(C)c(=O)n(C)c5n5c(-c6ccc(OC)cc6)nnc45)cc3)c(F)c2)CC1,JFTNYUGUXKLCBQ-UHFFFAOYSA-N
rxn:4:222200:222423,COc1c(-c2ccc(-c3nnc4n(Cc5ccccc5F)c5c(=O)n(C)c(=O)n(C)c5n34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SEXNEZZUXYGBAX-UHFFFAOYSA-N
rxn:4:222231:222423,COc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1-c1nnc2n(C)c3c(=O)n(C)c(=O)n(C)c3n12,MGQYFGRNZYZQQX-UHFFFAOYSA-N
rxn:4:222362:222433,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,NADDTVLPLHXLIS-UHFFFAOYSA-N
rxn:4:222362:222623,CCC(C)c1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C2CCNCC2)n1,SQHVQMNFVRYDOW-UHFFFAOYSA-N
rxn:4:222362:222717,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(S(=O)(=O)NC(C)(C)C)cc1F,XGPOSFZRCUSLCS-UHFFFAOYSA-N
rxn:4:222362:223525,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(C(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,OEFZQBKVHWKKMZ-UHFFFAOYSA-N
rxn:4:222362:223531,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)c(Cl)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,OVMPCGHNIDDMPY-UHFFFAOYSA-N
rxn:4:222362:223608,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OC(F)(F)F)c(S(=O)(=O)N7CCOCC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,BIAXRYILRLBRSS-UHFFFAOYSA-N
rxn:4:222362:224143,COc1cccc(OC)c1-c1ccccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,WREHBRMAWDFMLO-UHFFFAOYSA-N
rxn:4:222362:224670,CN1CCN(Cc2ccc(F)c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,VWALOXJUGMYMGN-UHFFFAOYSA-N
rxn:4:222362:225365,CC(C)Oc1c(F)c(F)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(F)c1F,ZTQQJFMCALJYBD-UHFFFAOYSA-N
rxn:4:222362:226344,COc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(C2CC2)cc1Cl,CLOURBWUTINIPT-UHFFFAOYSA-N
rxn:4:222363:222443,COc1ccc(CNC(=O)c2cc(F)cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2)cc1,WSLSVDFJUFGBPA-UHFFFAOYSA-N
rxn:4:222363:222486,Cc1cc(CN2CCN(c3c(-c4cncc(-c5cncc(C6CCCCN6)c5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YXPCHAOKVFCQIU-UHFFFAOYSA-N
rxn:4:222363:223595,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XBLNFZRQQPMUJM-UHFFFAOYSA-N
rxn:4:222363:223671,Cc1cc(CN2CCN(c3c(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XINQIMJHBHTRSG-UHFFFAOYSA-N
rxn:4:222363:223949,Cc1cc(CN2CCN(c3c(-c4cnc(N(C)C)nc4OCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RSFAQQGZMDORJC-UHFFFAOYSA-N
rxn:4:222363:224038,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)C(C)(C)c4cc(Cl)ccc4-5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ILMQAXCHSWQGHE-UHFFFAOYSA-N
rxn:4:222363:224214,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OCc4ccc(Cl)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DPHOGJJRYZVNKB-UHFFFAOYSA-N
rxn:4:222363:224577,Cc1cn(-c2cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)cc(C3CC3)c2)cn1,MGYJURCKIFSNED-UHFFFAOYSA-N
rxn:4:184241:222389,CC(C)OCCCN1C(=O)c2oc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3c(=O)c2C1c1ccc(F)cc1,LPTRGJRTHQTWKB-UHFFFAOYSA-N
rxn:4:212750:222423,COc1c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ORIWWPWLLCIKEY-UHFFFAOYSA-N
rxn:4:214321:222423,COc1c(-c2ccc3c(c2)ncn3C2CCCN(C(=O)OC(C)(C)C)CC2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VGTNKIODYDEZJI-UHFFFAOYSA-N
rxn:4:215272:222389,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nnc(C)s1)C3c1cccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,KXUHFLPURHQCMI-UHFFFAOYSA-N
rxn:4:215780:222423,COc1c(-c2cnc(N3CCC(F)(F)CC3)c(C#N)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YJZZZFGGZQBRKY-UHFFFAOYSA-N
rxn:4:219105:222423,COc1c(-c2ccc(-n3ccn4c(SCc5cccc(C(F)(F)F)c5)nnc4c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,WMDZVKDKDJEECQ-UHFFFAOYSA-N
rxn:4:219209:222423,COc1c(-c2ccc3c(c2)c2nc4ccccc4nc2n3CC(=O)N(c2ccccc2)C(C)C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FYIUTOWLMPHPBS-UHFFFAOYSA-N
rxn:4:219747:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)n1Cc1ccccc1Cl,GDZBBYYDZUAEIH-UHFFFAOYSA-N
rxn:4:221124:222423,COCCCn1c(C)cn2c3c(=O)n(Cc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4)c(=O)n(C)c3nc12,UQAQVPQAJFUKME-UHFFFAOYSA-N
rxn:4:221572:223845,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)n(C)c1=O,BSXDECXDHNZZDB-UHFFFAOYSA-N
rxn:4:221928:222462,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)ccc3OC)nnc12,AEBLXVXPTYJCCN-UHFFFAOYSA-N
rxn:4:221990:222423,COc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,CARYTFMIVBFIPO-UHFFFAOYSA-N
rxn:4:222131:222423,COc1c(-c2ccc(-c3nnc4n(CCC(C)C)c5c(=O)n(C)c(=O)n(C)c5n34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MSISEBRNURSONA-UHFFFAOYSA-N
rxn:4:222132:223841,COc1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,HFKLJJQOZRYNTQ-UHFFFAOYSA-N
rxn:4:222137:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(-n2c(C)cn3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)cc1,XORZXUPGFYDLJL-UHFFFAOYSA-N
rxn:4:222246:222423,CCOc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5cccc(-c6cccc(-c7nc8ccc9[nH]ncc9c8c8c7CCC8)c6OC)c5)no4)cnc32)cc1,KEOQMNWRJQBXMQ-UHFFFAOYSA-N
rxn:4:222362:222465,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C7CCCCC7)nc(C7CCCNC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,UTXQJXFNRHWDIL-UHFFFAOYSA-N
rxn:4:222362:222647,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(C)cc1NC(=O)OC(C)(C)C,JFAPQLKFRWHNGC-UHFFFAOYSA-N
rxn:4:222362:223567,CC(C)Oc1ccc2c(c1)cc(-c1cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c1)n2C(=O)OC(C)(C)C,XBFVGLVBWUJCSH-UHFFFAOYSA-N
rxn:4:222362:223576,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(OC7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,PRWKQYDMGBYRIE-UHFFFAOYSA-N
rxn:4:222362:223731,Cc1ccc(C(C)C)c(OCc2cccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)c1,HUILMQCMHKOGMK-UHFFFAOYSA-N
rxn:4:222362:223774,COc1cccc2c1cc(-c1cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c1)n2C(=O)OC(C)(C)C,AMFVFFQAUPEEET-UHFFFAOYSA-N
rxn:4:222362:223879,CCCc1ccc(-c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(F)c2F)cc1,LBQMIPRGGZSCQG-UHFFFAOYSA-N
rxn:4:222362:224126,CCN1CCN(C(C)c2cccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,QAYDTTDCVUQFSO-UHFFFAOYSA-N
rxn:4:222362:224163,Cc1c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc2c1cnn2C1CCCCO1,CTMOIUVLCNGUSA-UHFFFAOYSA-N
rxn:4:222362:224369,CCN(CC)S(=O)(=O)c1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(F)cc1C,KUOFNDSKEGIQIM-UHFFFAOYSA-N
rxn:4:222363:222520,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JJRPSLSFCHWXPR-UHFFFAOYSA-N
rxn:4:222363:222603,COc1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c(Cl)cc1NC(=O)OC(C)(C)C,VJZKKGCYZKCKDF-UHFFFAOYSA-N
rxn:4:222363:223490,Cc1cc(CN2CCN(c3c(-c4ccc(C)c(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IQLBFMZUHHENPC-UHFFFAOYSA-N
rxn:4:222363:223501,Cc1cc(CN2CCN(c3c(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XQYQLSFLNZCHBK-UHFFFAOYSA-N
rxn:4:222363:223567,Cc1cc(CN2CCN(c3c(-c4cc5cc(OC(C)C)ccc5n4C(=O)OC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GHKWTKAFEHQGNK-UHFFFAOYSA-N
rxn:4:222363:223877,Cc1cc(CN2CCN(c3c(-c4cc(C)c(OCc5cccc(Cl)c5)c(C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LSXGWKAKEIBZDX-UHFFFAOYSA-N
rxn:4:222363:224089,Cc1cc(CN2CCN(c3c(-c4ccc(OCCN5CCC(C)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HXELQCVRVOUVLH-UHFFFAOYSA-N
rxn:4:222363:224574,Cc1cnn(-c2ccc(C3CC3)c(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2)c1,ISGQENSJHPTURG-UHFFFAOYSA-N
rxn:4:222363:224792,Cc1cc(CN2CCN(c3c(-c4cc(C(F)(F)F)cnc4SCC(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HQTLSSVSELISCX-UHFFFAOYSA-N
rxn:4:222367:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)c(F)c2s1,SSQVFCIYBOZNDD-UHFFFAOYSA-N
rxn:4:212749:222580,CC1CN(Cc2ccc(-c3ccc(S(=O)(=O)NC4CC4)c4ccccc34)cc2N2CCCCC2)CCN1C(=O)OC(C)(C)C,CSQWYJSGKJJBNI-UHFFFAOYSA-N
rxn:4:212839:222598,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C)c(S(=O)(=O)NC5CCCC5)c(C)c4)ccn23)CC1,UWKGCNIYAWPOJW-UHFFFAOYSA-N
rxn:4:213450:222891,COc1cc(-c2ccc3nc(C)c(C4=NN(C(=O)C(C)C)C(c5ccccc5F)C4)c(-c4ccccc4)c3c2)cc(C2CCNCC2)n1,SRNZKBBHQLXSHQ-UHFFFAOYSA-N
rxn:4:214386:222389,COc1cc(OC)c2cc(C(=O)N3CCc4[nH]c5c(-c6cc(C7CCNCC7)nc(C7CCNCC7)c6)cccc5c4C3)n(C)c2c1,HSXIKWJTBIBFFP-UHFFFAOYSA-N
rxn:4:218765:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C(=O)CSc3nc4c(c(=O)n(Cc5ccccc5)c(=O)n4C)n3C)cc2)CC1,RUELCCAALNJZBB-UHFFFAOYSA-N
rxn:4:219553:222423,COc1c(-c2ccc(Cl)c(C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GIZJDMGQYVCSJP-UHFFFAOYSA-N
rxn:4:219662:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)n1C(C)C(C)=O,FDRLNIADWYLVQA-UHFFFAOYSA-N
rxn:4:220150:222423,COc1c(-c2ccc3c(N4CC(C(=O)N5CCSCC5)CC4=O)[nH]nc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HXDQTIMUCIKTTC-UHFFFAOYSA-N
rxn:4:221910:222630,CN(C)/C=N/c1nc(-c2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2)c(C#N)c(C#N)c1C#N,IEUFIMZXKOTDRQ-ODNPBWNPSA-N
rxn:4:221928:222389,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)ccc3OC)nnc12,BMEOFFYRJXYXKI-UHFFFAOYSA-N
rxn:4:221929:222462,Cc1cn2c3c(=O)n(Cc4ccc(-c5c(F)cc6nc(NC(=O)OC(C)(C)C)sc6c5F)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,CWDFSFLWTFAHPL-UHFFFAOYSA-N
rxn:4:221987:222423,COCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)ccc3OC)nnc12,QKXANLCXLHOQGY-UHFFFAOYSA-N
rxn:4:221995:222465,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(C6CCCCC6)nc(C6CCCNC6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,WRIFLVXTVODWQB-UHFFFAOYSA-N
rxn:4:222195:222537,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)c2)CC1,YIGGMJPSZBWWDN-UHFFFAOYSA-N
rxn:4:222195:222538,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)c2)CC1,XLDSWQTZUJQCQF-UHFFFAOYSA-N
rxn:4:222362:222620,COc1ccc(CNc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)cc1,WFLHMRAVCKPPNC-UHFFFAOYSA-N
rxn:4:222362:222675,COc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc1NC(=O)OC(C)(C)C,LQXQNJLPYMUPSL-UHFFFAOYSA-N
rxn:4:222362:223482,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OC(F)(F)F)c(S(=O)(=O)N7CCC8(CC7)OCCO8)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,PRFKSFZSOSJYSJ-UHFFFAOYSA-N
rxn:4:222362:223551,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(-c7ccc(OCc8ccccc8)cc7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,YNEBCWMCCCXLJR-UHFFFAOYSA-N
rxn:4:222362:223652,COc1ccc(Cl)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)n(C(=O)OC(C)(C)C)c12,VKFUTGGTSPBYTB-UHFFFAOYSA-N
rxn:4:222362:223826,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(Oc7ccc(OC(F)(F)F)cc7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,VJAKLPRSTDAOKV-UHFFFAOYSA-N
rxn:4:222362:223959,CCN1CCN(C(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2Cl)CC1,MZSGFFYBPKQDDW-UHFFFAOYSA-N
rxn:4:222362:224399,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(N7CCOCC7)cc6C(F)(F)F)cc6[nH]ncc56)nn4)cn3c2)CC1,VQGMKRPIKXTAOL-UHFFFAOYSA-N
rxn:4:222362:225148,COc1cc(-n2cc(C)cn2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,ZXLZJLWLUCKDKL-UHFFFAOYSA-N
rxn:4:222362:227158,Cc1c2c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cccc2nn1C,YNDFUNUVIRIKAU-UHFFFAOYSA-N
rxn:4:222362:228108,CCc1ncc(C#N)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,WHZRXZHYLQVRPX-UHFFFAOYSA-N
rxn:4:222363:222484,Cc1ccc(NC(=O)c2cc(F)cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2)c(C)c1,AJLXMIPKNJDRKM-UHFFFAOYSA-N
rxn:4:222363:222998,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(C5CCCNC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,MGTXJSBSBJLCSK-UHFFFAOYSA-N
rxn:4:222363:223776,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)CCO5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RPKCOBOPOXJNBZ-UHFFFAOYSA-N
rxn:4:222363:224352,Cc1cc(CN2CCN(c3c(-c4ccc(C5CCCOC5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DGEMKYBFZHRNIF-UHFFFAOYSA-N
rxn:4:222363:224604,Cc1cc(CN2CCN(c3c(-c4cc5nc(C)n(C(C)(C)C)c5cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SNHCFBDKXJZRND-UHFFFAOYSA-N
rxn:4:222363:224765,Cc1cc(CN2CCN(c3c(-c4cc(C(F)(F)F)ccc4N4CCCC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,FHGIZFWZYCETKF-UHFFFAOYSA-N
rxn:4:222363:224781,Cc1cc(CN2CCN(c3c(-c4ccc(C5CCCO5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UNKUVCLLKXFJHD-UHFFFAOYSA-N
rxn:4:222363:225035,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OC4CCCCC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AGMVLWREDGYPCK-UHFFFAOYSA-N
rxn:4:222363:225197,Cc1cc(CN2CCN(c3c(-c4cc(F)c(OC5CCCC5)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KOVSVSIUWLGBDT-UHFFFAOYSA-N
rxn:4:222363:226830,Cc1cc(CN2CCN(c3c(-c4cc(C(F)(F)F)c(Cl)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NOZOEBLTEVKQKJ-UHFFFAOYSA-N
rxn:4:222363:227453,Cc1cc(CN2CCN(c3c(-c4ccc(-c5ccc(C)s5)s4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GWFZRIIIAHPQNJ-UHFFFAOYSA-N
rxn:4:212832:224155,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)cc1)SCC2,MKUCJYHXKPAIEC-UHFFFAOYSA-N
rxn:4:219121:222423,COc1c(-c2ccc(-n3c(C)cc(C(=O)CSc4nnc5ccccn45)c3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XFPAQKZSQPUGJB-UHFFFAOYSA-N
rxn:4:219179:222423,COc1ccc(-c2nc(SCc3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1,QSNOKBDSXMJRJQ-UHFFFAOYSA-N
rxn:4:219709:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3cccc4ccccc34)c(=O)n2C)n1CC(C)=O,PSTRWSVKXNPJKF-UHFFFAOYSA-N
rxn:4:221538:223845,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1,KSIXZQCYUPPMND-UHFFFAOYSA-N
rxn:4:221776:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)cc1,NYJDPROCAMCHSS-UHFFFAOYSA-N
rxn:4:221929:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,PCFGYDPVANLFAO-UHFFFAOYSA-N
rxn:4:221995:222462,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5c(F)cc6nc(NC(=O)OC(C)(C)C)sc6c5F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,HUZWHTBPUYAZIX-UHFFFAOYSA-N
rxn:4:221995:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,ROOCIKNNNBMZDU-UHFFFAOYSA-N
rxn:4:222144:225245,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cncc(-c3ccc(F)cc3F)c2)cc1,RNSXUMZDYSPPGZ-UHFFFAOYSA-N
rxn:4:222297:222423,CCn1nnc2c(N3CCN(C(=O)c4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)o4)CC3)ncnc21,GQDRLXYZMMXJFX-UHFFFAOYSA-N
rxn:4:222362:222429,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CNC(=O)c7ccc(F)cc7C(F)(F)F)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,LSWYDIREPMFFMO-UHFFFAOYSA-N
rxn:4:222362:222483,Cc1ccc(NC(=O)c2ccc(F)c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)c(C)c1,KVCYVOVJVBWHIL-UHFFFAOYSA-N
rxn:4:222362:222490,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(F)c(NC(=O)OCc7ccccc7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,FEPCWKILRVPYSN-UHFFFAOYSA-N
rxn:4:222362:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,LADDBWNAXWPSQZ-UHFFFAOYSA-N
rxn:4:222362:223638,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(C7CCCN(C(=O)OC(C)(C)C)C7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,LFVZRDDOUDKBSG-UHFFFAOYSA-N
rxn:4:222362:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,WBJXXOVIULCVTC-UHFFFAOYSA-N
rxn:4:222362:223805,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccccc6OCc6ccc(C(F)(F)F)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,MWBGHYVLECUCFD-UHFFFAOYSA-N
rxn:4:222362:223862,CCCCc1ccc(-c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(F)c2)cc1,NDUBEFPNWHAXKN-UHFFFAOYSA-N
rxn:4:222362:223951,CN1CCN(CCOc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2F)CC1,RMDLAYGZYHUEHW-UHFFFAOYSA-N
rxn:4:222362:224323,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C)c1S(=O)(=O)N1CCCC1,PZPGTUKEMNXKCU-UHFFFAOYSA-N
rxn:4:222362:224665,CN1CCN(Cc2cc(F)ccc2-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)CC1,BYJRFYWJCABGLD-UHFFFAOYSA-N
rxn:4:222363:223482,Cc1cc(CN2CCN(c3c(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SZBIAGXJMKWOTI-UHFFFAOYSA-N
rxn:4:222363:223649,Cc1cc(CN2CCN(c3c(-c4cccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZEVNUXBUPQAKRR-UHFFFAOYSA-N
rxn:4:222363:223667,Cc1cc(CN2CCN(c3c(-c4ccc(OC(F)(F)F)cc4OCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WSIVHJOHXZUUJZ-UHFFFAOYSA-N
rxn:4:222363:223959,CCN1CCN(C(=O)c2cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)ccc2Cl)CC1,COEAOONRGIUGFK-UHFFFAOYSA-N
rxn:4:222363:224114,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OCCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CDCDHWGZSLKQKX-UHFFFAOYSA-N
rxn:4:222363:224236,Cc1cc(CN2CCN(c3c(-c4ccccc4OCc4cccc(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LPSCHGKWXBGYTO-UHFFFAOYSA-N
rxn:4:222363:224354,Cc1cc(CN2CCN(c3c(-c4cc(F)c(Oc5cccc(F)c5)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XLSMPHRJHIXNEQ-UHFFFAOYSA-N
rxn:4:222363:225111,COc1ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c(F)c1OCC(C)C,LLQFHJZMVUXDMP-UHFFFAOYSA-N
rxn:4:222363:225530,CCN(CC)Cc1ccc(F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,VMKXKJBQVHVSTE-UHFFFAOYSA-N
rxn:4:222363:227797,Cc1cc(CN2CCN(c3c(-c4cc(Cl)c(F)cc4[N+](=O)[O-])cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BYKWMNKNYNMGPX-UHFFFAOYSA-N
rxn:4:222363:228607,CCc1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)ccc1Cl,YXQKFIKWMKROBK-UHFFFAOYSA-N
rxn:4:222387:222423,COc1c(-c2cnc(N3CCOC(Cn4nnc5ncc(-c6cnn(C)c6)nc54)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MDDCOSUVMSCLII-UHFFFAOYSA-N
rxn:4:213425:222389,O=C(CCn1ccc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc21)N1CCC(c2noc3cc(F)ccc23)CC1,RAHJMUZCZBTWRZ-UHFFFAOYSA-N
rxn:4:213451:222927,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cnc(N6CCCCC6O)nc5C)cc43)C(=O)N2c2ccc(CC)cc2)cc1,IGBOURWTZZERDP-UHFFFAOYSA-N
rxn:4:218700:222423,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)CC2c2ccc(F)cc2)C(=O)C1=O,UDXOKVSQMDGJTG-UHFFFAOYSA-N
rxn:4:219181:222423,COc1c(-c2ccc(CSc3nc(CC(C)(C)C)nc4c3c(=O)n(C)c(=O)n4C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RTLHKVQOBMCFAQ-UHFFFAOYSA-N
rxn:4:219205:222462,COc1ccc(CCC(=O)N2CCc3c(cnc4cc(C)nn34)C2)cc1-c1c(F)cc2nc(NC(=O)OC(C)(C)C)sc2c1F,GZBOSVMXTGTTJG-UHFFFAOYSA-N
rxn:4:219656:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3ccccc3C)c(=O)n2C)n1CC(C)=O,DJHYJDXUUWSOMQ-UHFFFAOYSA-N
rxn:4:219746:222628,Cc1cccc(Cn2c(=O)c3c(nc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)n3Cc3ccccc3Cl)n(C)c2=O)c1,QLDPQCZZIKAPPN-UHFFFAOYSA-N
rxn:4:219747:222389,Cc1ccc(Cn2c(=O)c3c(nc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)n3Cc3ccccc3Cl)n(C)c2=O)cc1,RTAFNMDFVZESNA-UHFFFAOYSA-N
rxn:4:221256:222423,COc1c(-c2ccc(S(=O)(=O)c3nnn4c3nc(N(C)Cc3ccccc3)c3sccc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DBHAESULOQSKEZ-UHFFFAOYSA-N
rxn:4:221411:222423,COc1c(-c2cncc(C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IKKRJFSLOHHDJY-UHFFFAOYSA-N
rxn:4:221754:223845,Cc1cccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)c1,DRYVKVFBEKQYIF-UHFFFAOYSA-N
rxn:4:221766:223698,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCCC5)c4)cc3)c(=O)n2C)cc1,GHHUBTGIOWOMMK-UHFFFAOYSA-N
rxn:4:221778:223845,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1,DGBUFVXLNXHWGF-UHFFFAOYSA-N
rxn:4:221929:222461,Cc1cn2c3c(=O)n(Cc4ccc(-c5c(F)cc(F)c6sc(NC(=O)OC(C)(C)C)nc56)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,QJCXPXCODXVFFH-UHFFFAOYSA-N
rxn:4:221985:222423,COc1c(-c2cc3c(cn2)nc(-c2cnn(C)c2)n3[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DCDPICOTAQBYEM-XMMPIXPASA-N
rxn:4:222128:222423,COCCn1c2c(O)nc(=O)n(C)c2n2c(-c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)nnc12,JSTWUIUAHMRJAT-UHFFFAOYSA-N
rxn:4:222138:223604,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1,YIOXIHRUTDRPTM-UHFFFAOYSA-N
rxn:4:222144:225291,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(C(F)(F)F)cc2OC(C)C)cc1,TZVSBQLAVLTWNS-UHFFFAOYSA-N
rxn:4:222362:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,VSGZPPGFGGOJTP-UHFFFAOYSA-N
rxn:4:222362:223605,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(Oc7ccc(C(F)(F)F)cc7[N+](=O)[O-])cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,ADCFUWHSRQGHFA-UHFFFAOYSA-N
rxn:4:222362:223624,Cc1cc(C(C)(C)C)ccc1OCc1cccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,GBCSVUHOTBUOAS-UHFFFAOYSA-N
rxn:4:222362:223693,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c6F)cc6[nH]ncc56)nn4)cn3c2)CC1,JBEIOSBEPGKHEV-UHFFFAOYSA-N
rxn:4:222362:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,OUJMGSSAGQYTQU-UHFFFAOYSA-N
rxn:4:222362:226599,CCOc1c(F)cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(C)c1F,DDRIGEMCGIAEFD-UHFFFAOYSA-N
rxn:4:222363:222822,Cc1cc(CN2CCN(c3c(-c4cc(S(=O)(=O)NC5CC5)c(C)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DMTATTJMOOJOEI-UHFFFAOYSA-N
rxn:4:222363:222952,Cc1cc(CN2CCN(c3c(-c4cccc(NC(=O)C(F)(F)F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XISSNBMDUBZTJA-UHFFFAOYSA-N
rxn:4:222363:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)cc2C)CC1,GMZQQIQMAYAWIV-UHFFFAOYSA-N
rxn:4:222363:223922,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(C(=O)N(C)C5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QQJJCEMEAXZQSL-UHFFFAOYSA-N
rxn:4:222363:224417,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WILVCDWSPLKTQQ-UHFFFAOYSA-N
rxn:4:222363:225050,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(N5CCC(C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AUCOUAQIXTXRNZ-UHFFFAOYSA-N
rxn:4:222363:225872,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)c(N5CCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NNDRRVXVMOFTGZ-UHFFFAOYSA-N
rxn:4:222363:226024,Cc1cc(CN2CCN(c3c(-c4cccc(OCC(F)(F)F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SSNBSZBZXGAHCJ-UHFFFAOYSA-N
rxn:4:222363:226036,COc1c(F)cc(C(F)(F)F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,ZRXIGAKPAJPOAA-UHFFFAOYSA-N
rxn:4:222363:226754,CCOc1c(F)cc(F)c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1F,RYFRYBYKZPDTKH-UHFFFAOYSA-N
rxn:4:222363:228949,Cc1cc(CN2CCN(c3c(-c4c(F)cc(F)cc4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UPBNXRUYLLEPAY-UHFFFAOYSA-N
rxn:4:202808:222389,COc1cccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1OC,VLSUZQPQXXGYPH-UHFFFAOYSA-N
rxn:4:202809:222628,COc1ccc(C2c3c(oc4ccc(-c5cc(C6CCC6)nc(C6CCCNC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1OC,KXBYWYUSARRJHN-UHFFFAOYSA-N
rxn:4:212744:222630,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c2)CC1,RGAZCAQCOGXHDU-UHFFFAOYSA-N
rxn:4:218677:222389,CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)o4)CC3)nn2)cc1,JMYLYHXTAXXYFY-UHFFFAOYSA-N
rxn:4:218724:222423,CCOC(=O)Cn1c(=O)c2c(nc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)n2Cc2ccc(Cl)cc2)n(C)c1=O,XOHDKECDIXTAIA-UHFFFAOYSA-N
rxn:4:218774:223845,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cc(F)c(F)cc6S(=O)(=O)N6CCN(C)CC6)ccc5OC)oc4C)ccn3n2)cc1,OSTDBUWVCKNLCD-UHFFFAOYSA-N
rxn:4:221201:222423,COc1c(-c2ccc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)[C@H](C)C3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FCWBMCSPKYHRMJ-XMMPIXPASA-N
rxn:4:221271:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(-n3c(-c4ccccc4)cn4c5c(=O)n(CCCO)c(=O)n(C)c5nc34)cc2)CC1,QHGRIEJPDXBPTL-UHFFFAOYSA-N
rxn:4:221537:222423,COc1c(-c2ccc3nc(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)nc(-c4ccccc4)c3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VGVKTIDGVMVGMY-UHFFFAOYSA-N
rxn:4:221539:222628,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc2)CC(C)O1,OGSRRELOEBSURT-UHFFFAOYSA-N
rxn:4:221570:222538,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c1,NSDGQQNFQJIXCS-UHFFFAOYSA-N
rxn:4:221755:223845,Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)cc1,RFJVAQTUMDFVHY-UHFFFAOYSA-N
rxn:4:221758:223841,Cc1cc(F)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,FYUKQPALNYLTAP-UHFFFAOYSA-N
rxn:4:221929:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)CC1,ZORRESCHEDHBIG-UHFFFAOYSA-N
rxn:4:221990:222389,COc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,RWFRIIIVIAWJPE-UHFFFAOYSA-N
rxn:4:222353:223827,CCc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6cc(C(F)(F)F)ccc6N6CCN(CC)CC6)cc5)c(C)nn43)c2=O)[nH]1,BQTUDJZJUWZIKN-UHFFFAOYSA-N
rxn:4:222362:222437,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C(=O)Nc7ccc(OC(F)(F)F)cc7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,MUMPUPXVYRWHND-UHFFFAOYSA-N
rxn:4:222362:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,TUJQWMWZWIVART-UHFFFAOYSA-N
rxn:4:222362:223141,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cncc(C7CCNCC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,XVXKQAUAYJLYCL-UHFFFAOYSA-N
rxn:4:222362:223490,Cc1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MWXDDJOXARSWIY-UHFFFAOYSA-N
rxn:4:222362:223712,COc1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1C12CC3CC(CC(C3)C1)C2,HJNLFEROJPEJAW-UHFFFAOYSA-N
rxn:4:222362:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,LMVXRIYFTYQQBZ-UHFFFAOYSA-N
rxn:4:222362:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(C(F)(F)F)c1,HWDAWQOGFGTXJL-UHFFFAOYSA-N
rxn:4:222362:224122,COc1ccc(CSc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)cc1,NIVAGRFKBFLOFF-UHFFFAOYSA-N
rxn:4:222362:224160,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc7c(c6)CCN7C(=O)OC(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,ZMOFWXFTEWQDAW-UHFFFAOYSA-N
rxn:4:222362:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,SIGGBQRBCUQBBF-UHFFFAOYSA-N
rxn:4:222362:224783,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c2ncc(OC(F)F)nc2c1,VAQQBIGVJZULEI-UHFFFAOYSA-N
rxn:4:222363:222444,COc1ccc(F)cc1C(=O)NCc1ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc1,HBERBPBEOPDWHU-UHFFFAOYSA-N
rxn:4:222363:222701,Cc1cc(CN2CCN(c3c(-c4cc(C5CCCNC5)cc(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QRUFCKCAJJSRMR-UHFFFAOYSA-N
rxn:4:222363:222702,Cc1cc(CN2CCN(c3c(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JVUBSZGVNHACQV-UHFFFAOYSA-N
rxn:4:222363:224849,Cc1cc(CN2CCN(c3c(-c4cc(C5CCCC5)cc(C5CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XWELUZKKGOKYAC-UHFFFAOYSA-N
rxn:4:222363:224890,Cc1cc(CN2CCN(c3c(-c4cc(C5CC5)cc(N5CCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DLBRLJGYQVCQIO-UHFFFAOYSA-N
rxn:4:222363:224981,Cc1cc(CN2CCN(c3c(-c4cc(C5CC5)cc(-n5ccnc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CGLQGILJUCXSNS-UHFFFAOYSA-N
rxn:4:222363:225266,CCCOc1ccc(C(F)(F)F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,PJVKYEMWPCWAGY-UHFFFAOYSA-N
rxn:4:222363:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,HYSJRLMZUOFTNW-UHFFFAOYSA-N
rxn:4:222363:225284,Cc1cc(CN2CCN(c3c(-c4cnc(C(F)(F)F)c(CC(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PGPDSJYSXKQUGX-UHFFFAOYSA-N
rxn:4:222363:226028,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)c(C#N)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PIVMWWHDGFWFKU-UHFFFAOYSA-N
rxn:4:222363:228274,CSc1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c(F)cc1C,TYXOPHJIMOHYBU-UHFFFAOYSA-N
rxn:4:222363:228452,Cc1cc(CN2CCN(c3c(-c4cc5c(Cl)ncnc5s4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KGTCMUMUNLMHOW-UHFFFAOYSA-N
rxn:4:214386:222537,COc1cc(OC)c2cc(C(=O)N3CCc4[nH]c5c(-c6cc(C7CCCC7)nc(C7CCCNC7)c6)cccc5c4C3)n(C)c2c1,GONFMURHMDZOKZ-UHFFFAOYSA-N
rxn:4:215730:222423,COc1c(-c2cnc(N3CCC(SC)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XTOOOWYEKOKJHS-UHFFFAOYSA-N
rxn:4:218875:222423,COc1c(-c2ccc(OCc3nc(C#N)c(N4CCN(C)CC4)o3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JRQPKYFRVBFBKH-UHFFFAOYSA-N
rxn:4:219621:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3ccccc3Cl)c(=O)n2C)n1CC(C)=O,KXBLVEHOEUBPEK-UHFFFAOYSA-N
rxn:4:219657:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3cccc(C)c3)c(=O)n2C)n1CC(C)=O,AVTFEKBYFLPWJH-UHFFFAOYSA-N
rxn:4:221115:222423,CCOc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,HLXZJKMNZQLSSM-UHFFFAOYSA-N
rxn:4:221252:222630,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc1,FPVPFIPXIOUCJR-UHFFFAOYSA-N
rxn:4:221273:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5CCc4ccccc4)n(C)c3=O)cc2)CC1,UOHHOESPYMIIJU-UHFFFAOYSA-N
rxn:4:221538:222538,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1,VOIANKUHOLAWOH-UHFFFAOYSA-N
rxn:4:221556:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCO)c(C)c(C)n34)n(C)c2=O)cc1,GWZASUSBAZGQEP-UHFFFAOYSA-N
rxn:4:221764:223841,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n(C6CCCC6)c(C)cn45)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1,ODGAPZFPTHWWGS-UHFFFAOYSA-N
rxn:4:221768:223841,Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)c(=O)n2C)cc1C,FQQPRTUPGHJBLA-UHFFFAOYSA-N
rxn:4:221769:223819,Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc5cnccc5n4S(=O)(=O)c4ccccc4)cc3)c(=O)n2C)c1,DOFMDRZNUAERQD-UHFFFAOYSA-N
rxn:4:221986:222465,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2)CC1,ZAMNLJDYPLFAED-UHFFFAOYSA-N
rxn:4:221990:222621,COc1ccc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,MIEWMRICOCQZPH-UHFFFAOYSA-N
rxn:4:221991:222389,Cn1c(=O)c2c(n(C)c1=O)n1c(-c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)nnc1n2CCCc1ccccc1,BHJXIYOSCUTVCS-UHFFFAOYSA-N
rxn:4:221993:222461,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5c(F)cc(F)c6sc(NC(=O)OC(C)(C)C)nc56)cc4)c(=O)n(C)c3nc2n1CCN(C)C,DEGYHYYYEWGALW-UHFFFAOYSA-N
rxn:4:221993:222462,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5c(F)cc6nc(NC(=O)OC(C)(C)C)sc6c5F)cc4)c(=O)n(C)c3nc2n1CCN(C)C,JIYMDTSWBGIJSZ-UHFFFAOYSA-N
rxn:4:222132:223760,COc1cc(-c2ccc(OC)c(-c3nnc4n(CC(C)C)c5c(=O)n(C)c(=O)n(C)c5n34)c2)c(OC)cc1OCc1ccccc1,LTHZPZYWYBDVGC-UHFFFAOYSA-N
rxn:4:222135:223891,COc1ccc(-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,LGYQALREWBZZOL-UHFFFAOYSA-N
rxn:4:222144:225250,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cncc(-c3ccc(F)c(F)c3)c2)cc1,WMAWGBSDKFTNNO-UHFFFAOYSA-N
rxn:4:222201:222423,COc1c(-c2ccc(-c3nnc4n(Cc5ccc(F)cc5)c5c(=O)n(C)c(=O)n(C)c5n34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HAQLGOSACQRKLY-UHFFFAOYSA-N
rxn:4:222205:222423,COc1c(-c2ccc(Cn3c4c(=O)n(C)c(=O)n(C)c4n4c(-c5ccc(C)cc5)nnc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XIZNZHFQESDPDI-UHFFFAOYSA-N
rxn:4:222305:222423,COc1c(-c2ccc(C(=O)N3CCN(c4ncnc5c4nnn5-c4ccc(Cl)cc4)CC3)o2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,AHMRQRTUGGNDCD-UHFFFAOYSA-N
rxn:4:222362:222436,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(C(=O)Nc7cccc(OC(F)(F)F)c7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,YSMONSJNJWJOHS-UHFFFAOYSA-N
rxn:4:222362:222442,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(S(=O)(=O)NC7CCCC7)c7ccccc67)cc6[nH]ncc56)nn4)cn3c2)CC1,VCWIBZRYKCLXIC-UHFFFAOYSA-N
rxn:4:222362:223957,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,ULUPWSTXCCYJNC-UHFFFAOYSA-N
rxn:4:222362:224200,Cc1cc(Cl)c(OCc2cccnc2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,OBZDGVSWKFWRSD-UHFFFAOYSA-N
rxn:4:222362:224631,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)ccc6OCc6ccncc6)cc6[nH]ncc56)nn4)cn3c2)CC1,GDFSKFIXIQOHPQ-UHFFFAOYSA-N
rxn:4:222362:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,IZZXKWISZRNRNW-UHFFFAOYSA-N
rxn:4:222362:226459,Cn1cnc2cc(C#N)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c21,BFJVDJGUMGOCGV-UHFFFAOYSA-N
rxn:4:222363:222997,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)cc4C4CCCNC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YORUKWZPXSFGOL-UHFFFAOYSA-N
rxn:4:222363:223768,Cc1cc(CN2CCN(c3c(-c4cn(C(=O)OC(C)(C)C)c5cc(C#N)ccc45)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OQTOZEZZERRFOJ-UHFFFAOYSA-N
rxn:4:222363:223842,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(C)CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,USZMPCBMILWUBR-UHFFFAOYSA-N
rxn:4:222363:223977,Cc1cc(CN2CCN(c3c(-c4cc(C(F)(F)F)ccc4C(=O)OC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DEGRGYVXKKSRAI-UHFFFAOYSA-N
rxn:4:222363:224234,Cc1cc(CN2CCN(c3c(-c4cc(OCc5ccccc5)c(F)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LIBJDVCAEBHSJJ-UHFFFAOYSA-N
rxn:4:222363:225011,Cc1cc(CN2CCN(c3c(-c4cccc(C5(C#N)CCCC5)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DGRQCQPPQAKPTF-UHFFFAOYSA-N
rxn:4:222363:225061,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCC(C)CC5)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WLQLUUBKLKMSFH-UHFFFAOYSA-N
rxn:4:200933:222389,COC(=O)Cn1c(=NC(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)s2)sc2cc(F)ccc21,XRXCDTIBDMCLMW-UHFFFAOYSA-N
rxn:4:202155:222389,Cc1ccc(C)c(CSc2nccn(-c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)c2=O)c1,JPADGGAWXVXGOJ-UHFFFAOYSA-N
rxn:4:212846:222700,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5ccc(C(F)(F)F)cc5C5CCCNC5)cc4)n(Cc4ccco4)c(=O)c23)C1,FGIOMSGSRNJRIV-UHFFFAOYSA-N
rxn:4:213451:222891,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(OC)nc(C6CCNCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,KBSLETIZPAPGKV-UHFFFAOYSA-N
rxn:4:215261:222423,COc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)c(C(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)c1,YZRGGTZMSRLIJF-UHFFFAOYSA-N
rxn:4:218684:222423,COc1c(-c2cccc(-c3ccc(C#N)c(N4CCN(C(=O)OC(C)(C)C)CC4)n3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JPESFGXQCQONPB-UHFFFAOYSA-N
rxn:4:219720:222423,CCc1nc(-c2c3n(c(=O)n(Cc4cccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)c4)c2=O)CCCC3)no1,PZTBDMIAKVPSHB-UHFFFAOYSA-N
rxn:4:221271:222524,Cn1c(=O)n(CCCO)c(=O)c2c1nc1n(-c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)c(-c3ccccc3)cn21,XNZHJOVIHUXUDW-UHFFFAOYSA-N
rxn:4:221277:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)CC1,YVACFSMOIVYABC-UHFFFAOYSA-N
rxn:4:221357:222423,COc1c(-c2cnn(CC3CN(c4cc(C5CCC5)ncn4)C3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BFDNGTRHFKBHRS-UHFFFAOYSA-N
rxn:4:221538:223570,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,ZHNCLXUZXGFSMZ-UHFFFAOYSA-N
rxn:4:221570:222537,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c1,GDSLHNOXSVYCHN-UHFFFAOYSA-N
rxn:4:221743:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(-c3c(C)nn4c3nnc3c(=O)n(-c5ccc(OC)cc5)ccc34)cc2)CC1,QXOSKQXAWIGMME-UHFFFAOYSA-N
rxn:4:221778:224011,CC1CN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1,IHPJIAQYNQVVMX-UHFFFAOYSA-N
rxn:4:221781:223845,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)c1C,CBBZQNDWFVRQMJ-UHFFFAOYSA-N
rxn:4:221929:223842,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCC(C)CC5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,RXHXAPAPUVZIKR-UHFFFAOYSA-N
rxn:4:221995:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,KVUAXHILHFPCTE-UHFFFAOYSA-N
rxn:4:222193:222423,COc1c(-c2ccc3c(C(=O)N4Cc5cnc(N6CCOCC6)nc5C4)n(C)nc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SWAPJRPIUAMMRO-UHFFFAOYSA-N
rxn:4:222195:223845,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)c2)CC1,UCCQIJYYTQVNNK-UHFFFAOYSA-N
rxn:4:222362:222600,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc7nc(NC(=O)OC(C)(C)C)sc7c6)cc6[nH]ncc56)nn4)cn3c2)CC1,KDHXNXCUKJZWPB-UHFFFAOYSA-N
rxn:4:222362:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,FJACITYBOSKGGS-UHFFFAOYSA-N
rxn:4:222362:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,OQNREOMTKWUNJD-UHFFFAOYSA-N
rxn:4:222362:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(F)c2)CC1,QQHNAOKBASUBGB-KWQFAZJVSA-N
rxn:4:222362:224305,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c6F)cc6[nH]ncc56)nn4)cn3c2)CC1,ZPIAAYMTHCLQGG-UHFFFAOYSA-N
rxn:4:222362:224405,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(F)cc6S(=O)(=O)N6CCCC6)cc6[nH]ncc56)nn4)cn3c2)CC1,LRCYDBVYWHVHJH-UHFFFAOYSA-N
rxn:4:222362:224422,CCCc1ccc(-c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)cc1,WMWXNVWAIYKVIC-UHFFFAOYSA-N
rxn:4:222362:227148,Cc1cc2c(cnn2C)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,VTVAAJKSSQEJCQ-UHFFFAOYSA-N
rxn:4:222363:222446,COc1ccc(CNC(=O)c2ccc(F)c(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2)cc1,BLXDXMYLSFQQRV-UHFFFAOYSA-N
rxn:4:222363:222685,Cc1cc(CN2CCN(c3c(-c4cc(NC(=O)OC(C)(C)C)c(F)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QYRKJBKFNBEUHG-UHFFFAOYSA-N
rxn:4:222363:223925,Cc1cc(CN2CCN(c3c(-c4cc(C)c(F)c(OCc5ccccc5)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BLRZKBAQFAYGQT-UHFFFAOYSA-N
rxn:4:222363:223930,Cc1cc(CN2CCN(c3c(-c4cc5cnn(C(=O)OC(C)(C)C)c5cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WVHWVGSNLLEHRM-UHFFFAOYSA-N
rxn:4:222363:224405,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)cc4S(=O)(=O)N4CCCC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,FMDAALGYIGZRKX-UHFFFAOYSA-N
rxn:4:222363:224438,Cc1ccc(OCc2ccccc2)c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1,KTEHWXSVJIIICP-UHFFFAOYSA-N
rxn:4:222363:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,KJBQITRDCMFGNZ-UHFFFAOYSA-N
rxn:4:222363:227674,COc1c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc(C)c(F)c1F,IPJWFISMQKITIX-UHFFFAOYSA-N
rxn:4:222363:228379,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)cc4C#N)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AIFCTADLLJIPJQ-UHFFFAOYSA-N
rxn:4:213448:222851,CCc1cc(-c2ccc3nc(C)c(C4=NN(C(C)=O)C(c5ccc(OC)cc5)C4)c(-c4ccccc4)c3c2)cc(C2CCNCC2)n1,JTTHFSVWIHMCDO-UHFFFAOYSA-N
rxn:4:218694:223845,Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)ccc2-c2nccs2)C1,JBUAMLOOBRQTDQ-PXDATVDWSA-N
rxn:4:221117:222423,COc1c(-c2ccc3nc(N(CCN4CCOCC4)C(=O)c4cnccn4)sc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XITAQHIZOFVNBK-UHFFFAOYSA-N
rxn:4:221555:222461,Cc1c(C)n2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)cc(F)c3sc(NC(=O)OC(C)(C)C)nc23)cc1,HLGQRYVHEPHPQM-UHFFFAOYSA-N
rxn:4:221573:222524,CC1CN(Cc2ccccc2)c2nc3c(c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCC(O)CC5)cc4)c(=O)n3C)n2C1,AVZQYSHMRNDAMW-UHFFFAOYSA-N
rxn:4:221575:222524,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,NNMURTUOQAQRAQ-UHFFFAOYSA-N
rxn:4:221747:223841,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n4CCN5c4ccc(F)cc4)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1,JLUMJWFIJWBVFZ-UHFFFAOYSA-N
rxn:4:221791:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)cc2)CC1,FUSQVDJFUVMINT-UHFFFAOYSA-N
rxn:4:221929:223925,Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)c(F)c(OCc2ccccc2)c1F,RDCGONODADSTSF-UHFFFAOYSA-N
rxn:4:221929:223991,Cc1cn2c3c(=O)n(Cc4ccc(-c5c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c5F)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,LPDPLZBXUNRHQL-UHFFFAOYSA-N
rxn:4:221929:224304,Cc1cn2c3c(=O)n(Cc4ccc(-c5c(F)ccc(O[Si](C)(C)C(C)(C)C)c5Cl)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,SYNCWEUQNHSKHG-UHFFFAOYSA-N
rxn:4:221929:224309,Cc1cn2c3c(=O)n(Cc4ccc(-c5c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c5F)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,VKSPTXXEKLORQJ-UHFFFAOYSA-N
rxn:4:221929:224662,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(F)ccc5CN5CCN(C)CC5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,QACFWQLFSXBUNN-UHFFFAOYSA-N
rxn:4:221989:222423,COc1c(-c2ccc(Cn3c(=O)c4c(nc5n(CCN(C)C)c(C)cn45)n(C)c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QPLUMYMMECQIOC-UHFFFAOYSA-N
rxn:4:221990:222623,CCC(C)c1cc(-c2ccc(OC)c(-c3nnc4n(CCC(C)C)c5c(=O)n(C)c(=O)n(C)c5n34)c2)cc(C2CCNCC2)n1,NIGADZVELOWYCD-UHFFFAOYSA-N
rxn:4:221990:223542,COc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,ZRUSWAWVJFNXGS-UHFFFAOYSA-N
rxn:4:221995:222602,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(CC(C)C)sc5S(=O)(=O)NC(C)(C)C)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,XWICBHICRLMLDY-UHFFFAOYSA-N
rxn:4:221995:222730,CCCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)cc(C2CCNCC2)n1,IPBGOTOAGOMOIA-UHFFFAOYSA-N
rxn:4:221995:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)CC1,DDSACGRGAVFWNP-UHFFFAOYSA-N
rxn:4:221995:224038,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc6c(c5)C(C)(C)c5cc(Cl)ccc5-6)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,OLQMTGNBXZSTBR-UHFFFAOYSA-N
rxn:4:222135:223845,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,FCALGBABSGIDBW-UHFFFAOYSA-N
rxn:4:222142:222461,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)cc(F)c3sc(NC(=O)OC(C)(C)C)nc23)cc1,ZMYJTQBIFQJQCY-UHFFFAOYSA-N
rxn:4:222142:222462,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)cc3nc(NC(=O)OC(C)(C)C)sc3c2F)cc1,WCNQQUFCRXHPKI-UHFFFAOYSA-N
rxn:4:222144:223828,CCN1CCN(c2cc(-c3ccc(-n4c(C)c(C)n5c6c(=O)n(CCN7CCCCC7)c(=O)n(C)c6nc45)cc3)cc(C(F)(F)F)c2)CC1,DUBICNZNPNTOPV-UHFFFAOYSA-N
rxn:4:222362:222389,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C7CCNCC7)nc(C7CCNCC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,QMZZYOJFGUZUIY-UHFFFAOYSA-N
rxn:4:222362:222828,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(F)cc6S(=O)(=O)NC6CC6)cc6[nH]ncc56)nn4)cn3c2)CC1,YLVNIXPTHFRBMA-UHFFFAOYSA-N
rxn:4:222362:223586,COc1ccc(COc2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc(C(F)(F)F)c2)cc1,HNSJMVVDBWLLHC-UHFFFAOYSA-N
rxn:4:222362:223625,Cc1cc(C(C)(C)C)ccc1OCc1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1,QJUYEIZPLSEYBQ-UHFFFAOYSA-N
rxn:4:222362:224096,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccccc6OCc6ccc(C#N)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,QVSQEALDUNBGKC-UHFFFAOYSA-N
rxn:4:222362:224197,CCN1CCN(Cc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2F)CC1,CRTHEOZAFVCKLC-UHFFFAOYSA-N
rxn:4:222362:225150,COc1cc(-n2ccc(C)n2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,RKRYGOJGOOZLNW-UHFFFAOYSA-N
rxn:4:222362:225841,Cc1cn(-c2cc(F)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)cn1,WTGYJTMCXRKKCY-UHFFFAOYSA-N
rxn:4:222363:222658,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(C(=O)NC5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YOAMUNRXEHAUIL-UHFFFAOYSA-N
rxn:4:222363:223594,Cc1cc(CN2CCN(c3c(-c4cc(Cl)cc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PDAPAOVLOHBVRL-UHFFFAOYSA-N
rxn:4:222363:224057,Cc1cc(CN2CCN(c3c(-c4cc(C)c(C)cc4OCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JXQYRNKGBOESCE-UHFFFAOYSA-N
rxn:4:222363:226132,Cc1cc(CN2CCN(c3c(-c4ccc(C5(C#N)CC5)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KAGZWUNIEFVEHL-UHFFFAOYSA-N
rxn:4:222363:228637,Cc1cc(CN2CCN(c3c(-c4cc(C)c(F)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YHRMBOXJUHPCBZ-UHFFFAOYSA-N
rxn:4:184221:222389,COC(=O)c1c(-c2ccccc2)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc2c(=O)n1Cc1ccc(S(C)(=O)=O)cc1,VJUYGBGMKKHVKZ-UHFFFAOYSA-N
rxn:4:201189:222389,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,OOSBBUYZXKEGRH-UHFFFAOYSA-N
rxn:4:213451:222855,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(OC)cc(C6CCCNC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,GKLNGPQXYGFOFG-UHFFFAOYSA-N
rxn:4:214385:222389,COc1cc2cc(C(=O)N3CCc4[nH]c5c(-c6cc(C7CCNCC7)nc(C7CCNCC7)c6)cccc5c4C3)n(C)c2cc1OC,AGYQLMRIRRLTPK-UHFFFAOYSA-N
rxn:4:218694:222423,COc1c(-c2ccc(-c3nccs3)c(C(=O)N3C[C@H](Oc4nccc(C#N)c4C)CC[C@H]3C)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,NFQBJKLFOLVNBD-UFHPHHKVSA-N
rxn:4:218762:222389,O=c1c2ccccc2nc(SCc2nc(-c3cccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)c3)no2)n1Cc1ccc(F)cc1,AXKCLZWAWBDIQU-UHFFFAOYSA-N
rxn:4:219709:223570,CC(=O)Cn1c(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)nc2c1c(=O)n(Cc1cccc3ccccc13)c(=O)n2C,OGJPMVHKQQPNAW-UHFFFAOYSA-N
rxn:4:220556:223845,Cc1nn2c(ncc3c(=O)n(-c4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4)ccc32)c1-c1ccc(F)cc1,YPEZTMRMMRRQHG-UHFFFAOYSA-N
rxn:4:221127:222423,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4)nnn3c3ccsc23)CC1,CMEUZQKIFOFZQK-UHFFFAOYSA-N
rxn:4:221277:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(Oc4ccccc4)cc3)n(C)c2=O)cc1,GZSUBEYQWQYINJ-UHFFFAOYSA-N
rxn:4:221277:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)CC1,WWJNVZPFLNDUHP-UHFFFAOYSA-N
rxn:4:221539:223600,Cc1ccc(S(=O)(=O)n2cc(-c3ccc(Cn4c(CN5CC(C)OC(C)C5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c3cc(Cl)cnc32)cc1,MHXOOIKWMPRAOT-UHFFFAOYSA-N
rxn:4:221740:222423,COc1c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CC(C)=O)c(=O)n3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RRFCXAFATAZSII-UHFFFAOYSA-N
rxn:4:221776:223841,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,ZXABAIDOCRUYBR-UHFFFAOYSA-N
rxn:4:221777:224688,CC1CN(c2ccc(-c3ccc(CN4CCC(=O)CC4)c(Cl)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,HZPDPOCXZWVOFB-UHFFFAOYSA-N
rxn:4:221787:222462,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)cc3)c(=O)n2C)c1,RZSWBXYSFONZGH-UHFFFAOYSA-N
rxn:4:221928:223651,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(C5CCN(C(=O)OC(C)(C)C)C5)nc4C)ccc3OC)nnc12,CRCLBRIVXMTXBW-UHFFFAOYSA-N
rxn:4:221929:223488,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc6cc(Oc7ccccc7)ccc6n5C(=O)OC(C)(C)C)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,GLNXASQPOYOJDH-UHFFFAOYSA-N
rxn:4:221929:224146,Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1ccc(Cn2c(=O)c3c(nc4n(CCCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,ZARVEIPMZOOVDK-UHFFFAOYSA-N
rxn:4:221929:224245,Cc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)c(-c2cccc([N+](=O)[O-])c2)c1,DIMZIZFMTCFUEG-UHFFFAOYSA-N
rxn:4:221995:222997,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(Cl)cc5C5CCCNC5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,AXDSQCXFJPNLDO-UHFFFAOYSA-N
rxn:4:221995:223530,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(F)ccc5CN5CCN(C(=O)OC(C)(C)C)CC5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,RDIZNJVLLKHTQN-UHFFFAOYSA-N
rxn:4:221995:223891,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5c(F)ccc6c5ccn6[Si](C)(C)C(C)(C)C)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,YFBLRSYMOWODAV-UHFFFAOYSA-N
rxn:4:221995:223924,COc1cccc(Cl)c1-c1cccc(OC)c1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,DNQDFYHXFSAVGK-UHFFFAOYSA-N
rxn:4:221995:226709,Cc1cc(C(F)(F)F)cc(C)c1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,RTVVDJIONWJUBP-UHFFFAOYSA-N
rxn:4:222138:223824,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C(F)(F)F)cnc2OCc2ccccc2)cc1,ZZYSKDHZKATGKG-UHFFFAOYSA-N
rxn:4:222144:224245,Cc1ccc(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)c(-c2cccc([N+](=O)[O-])c2)c1,RIHXJBNOPKIOGY-UHFFFAOYSA-N
rxn:4:222144:224393,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(C(F)(F)F)ccc2N2CCOCC2)cc1,PUHRDZCLTIBLOQ-UHFFFAOYSA-N
rxn:4:222362:223595,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(N7CCN(C(=O)OC(C)(C)C)CC7)c(F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,SFEDAZNLSUNCBZ-UHFFFAOYSA-N
rxn:4:222362:223846,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C2CC3CCC2(C)C3(C)C)c1,POBJZZLEQCNRGO-UHFFFAOYSA-N
rxn:4:222362:223960,CCN1CCN(C(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2F)CC1,KLMOJPKZYRFMJG-UHFFFAOYSA-N
rxn:4:222362:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,VENLOGFMSOWSDJ-UHFFFAOYSA-N
rxn:4:222362:224996,COc1nccc(-c2ccccc2)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,INOCIWNLIUFNBH-UHFFFAOYSA-N
rxn:4:222363:222629,Cc1cc(CN2CCN(c3c(-c4cc(C5CCCNC5)nc(C(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CNQFCHBVJYXOGO-UHFFFAOYSA-N
rxn:4:222363:223608,Cc1cc(CN2CCN(c3c(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCOCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OGCWDVJUNJXNII-UHFFFAOYSA-N
rxn:4:222363:223624,Cc1cc(CN2CCN(c3c(-c4cccc(COc5ccc(C(C)(C)C)cc5C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,MYFRIRCPBOLQFW-UHFFFAOYSA-N
rxn:4:222363:224141,Cc1cc(CN2CCN(c3c(-c4c(OCc5ccccc5)ccc(C)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HPBDQTZJCLRTMN-UHFFFAOYSA-N
rxn:4:222363:224650,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OCC4CCOCC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GWGAAGKRZCJYEF-UHFFFAOYSA-N
rxn:4:222363:225672,Cc1cc(CN2CCN(c3c(-c4cc(F)nc(C5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YNCPXMGTYUSHRQ-UHFFFAOYSA-N
rxn:4:188025:222389,CC(C)(C)c1ccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2Cc2ccco2)cc1,UCXIORAGUSCIQA-UHFFFAOYSA-N
rxn:4:212734:223526,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)SC1=S,XNFVPNIQCYCQDK-UHFFFAOYSA-N
rxn:4:213480:222742,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(C5CCNCC5)nc(C5CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,QTYHEDKMYUYPIG-WGTAFYKGSA-N
rxn:4:218694:222524,Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)ccc2-c2nccs2)C1,QCQQMGFRTFAHRH-CJFMBICVSA-N
rxn:4:219776:222423,COc1c(-c2ccc3nc(N4CCN(C(=O)c5ccccc5C)CC4)nc(-c4ccccc4)c3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CEKRZTABNHRVAI-UHFFFAOYSA-N
rxn:4:220202:222389,O=C(c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1Cl)N1CCC(n2cnc3ncccc3c2=O)CC1,FDKWYYOPVRAIGN-UHFFFAOYSA-N
rxn:4:221105:222423,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cn3)C2)nc1C,AZHSNBYCOXYXMG-UHFFFAOYSA-N
rxn:4:221232:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)COCC6)C4)nc3)c(F)c2s1,WSHQVEKKBLAREC-UHFFFAOYSA-N
rxn:4:221252:223528,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,LKVOFNIGUXOFMR-UHFFFAOYSA-N
rxn:4:221263:222423,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)n(C)c1=O,JDQZLHRQSCIIHD-UHFFFAOYSA-N
rxn:4:221271:223698,Cn1c(=O)n(CCCO)c(=O)c2c1nc1n(-c3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCCC5)c4)cc3)c(-c3ccccc3)cn21,CMQAIWKWCQQVMB-UHFFFAOYSA-N
rxn:4:221763:222423,COc1c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CC(C)C)c(=O)n3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SHVQAGUOYHBCKU-UHFFFAOYSA-N
rxn:4:221764:223992,Cc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n(C6CCCC6)c(C)cn45)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1,XHUKJAMNDHKTDA-UHFFFAOYSA-N
rxn:4:221765:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(-n3c(C)cn4c5c(=O)n(Cc6ccc(C)cc6)c(=O)n(C)c5nc34)cc2)CC1,BUDDFTOMUZPJJH-UHFFFAOYSA-N
rxn:4:221781:222524,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)c(=O)n2C)c1C,QYKNJZOIZDPSFW-UHFFFAOYSA-N
rxn:4:221990:222622,CCC(C)c1cc(-c2ccc(OC)c(-c3nnc4n(CCC(C)C)c5c(=O)n(C)c(=O)n(C)c5n34)c2)cc(C2CCCNC2)n1,LEYRBAYOPVZOHC-UHFFFAOYSA-N
rxn:4:221990:222624,COc1ccc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,CPDUSQRFJCSOQE-UHFFFAOYSA-N
rxn:4:221990:223602,COc1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,WGKHPNDRWVWLPF-UHFFFAOYSA-N
rxn:4:221993:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN(C)C)c(C)c(C)n34)n(C)c2=O)cc1,YIKGUBOKJDOXBS-UHFFFAOYSA-N
rxn:4:221995:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,LGIWRYWOVIAWGM-UHFFFAOYSA-N
rxn:4:221995:223692,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(OCc6cccnc6)c(Cl)cc5C(F)(F)F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,AOUJXFSDPKSPJS-UHFFFAOYSA-N
rxn:4:221995:223812,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,HYSQXWCYRZYMEZ-UHFFFAOYSA-N
rxn:4:221995:224007,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(OC(F)(F)F)cc(OCC(C)C)c5F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,KCAHVQHALAAKFF-UHFFFAOYSA-N
rxn:4:221995:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,NKRXDXRDZKPEEA-UHFFFAOYSA-N
rxn:4:221995:225196,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(Cl)c(F)c(OC6CCCC6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,FAPHCDZFYTWXDB-UHFFFAOYSA-N
rxn:4:221995:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,HSQBBISTDCKQHC-UHFFFAOYSA-N
rxn:4:222134:222466,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,JWOPFQBFYQDNHI-UHFFFAOYSA-N
rxn:4:222202:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(-n4c(-c5cccc([N+](=O)[O-])c5)cn5c6c(=O)n(C)c(=O)n(C)c6nc45)cc3)c(F)ncc21,OEIFAJSHMXHZKO-UHFFFAOYSA-N
rxn:4:222306:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5ccc(F)cc5)CC4)o3)c2)CC1,LNWCUIJQCMWPIN-UHFFFAOYSA-N
rxn:4:222356:222700,Cc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6ccc(C(F)(F)F)cc6C6CCCNC6)cc5)c(C)nn43)c2=O)[nH]1,ATRVYUOCIIGBKM-UHFFFAOYSA-N
rxn:4:222356:223604,Cc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6cccc(Oc7ccc(C(F)(F)F)cc7[N+](=O)[O-])c6)cc5)c(C)nn43)c2=O)[nH]1,TVBCEPZTKUDUNG-UHFFFAOYSA-N
rxn:4:222362:222466,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C7CCCCC7)nc(C7CCNCC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,WJIGRYKZJFKPQK-UHFFFAOYSA-N
rxn:4:222362:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc21,DCNLJTMAPLVYMP-UHFFFAOYSA-N
rxn:4:222362:224457,Cc1ccccc1COc1ccccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,PXUQREXTDKUCGP-UHFFFAOYSA-N
rxn:4:222362:224464,CCc1ccc(-c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(F)c2)cc1,DNXJSFJOPLOGLJ-UHFFFAOYSA-N
rxn:4:222363:222601,Cc1cc(CN2CCN(c3c(-c4cccc5sc(NC(=O)OC(C)(C)C)nc45)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BBZDOVGTQGFOQR-UHFFFAOYSA-N
rxn:4:222363:224587,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCC(C)CC5)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HTXUFCHQGXHHRG-UHFFFAOYSA-N
rxn:4:222363:226825,Cc1cc(CN2CCN(c3c(-c4cc(Cl)c(C(F)(F)F)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QFBOYOALHKWIRE-UHFFFAOYSA-N
rxn:4:222363:228378,Cc1cc(CN2CCN(c3c(-c4ccc(C#N)c(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QQKJRRRBJAWWQF-UHFFFAOYSA-N
rxn:4:190202:223307,CN(Cc1ccc(F)c(-c2ccc3c(c2)CCNC3)c1)C1CCOCC1,SLNNHIWXZGYBKU-UHFFFAOYSA-N
rxn:4:201026:222423,COCCn1c(=NC(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)sc2cc(C)ccc21,ZBKJNRAHOPVEQK-UHFFFAOYSA-N
rxn:4:213445:222538,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(C7CCCC7)nc(C7CCNCC7)c6)c(OC)ccc5c4)nc23)cc1OC,HAXSGEZDZDDVSL-UHFFFAOYSA-N
rxn:4:215283:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc([N+](=O)[O-])cc2)N(c2cccc(C)n2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DDTPHJXHVVADDX-UHFFFAOYSA-N
rxn:4:218629:222423,COc1c(-c2cnc(OCC3CCCN(C(=O)Cc4c(C)noc4C)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LWNQRRYJMWKRKL-UHFFFAOYSA-N
rxn:4:218693:222423,COc1c(-c2ccc(-n3nnc(C(=O)OCc4nc(-c5ccccc5C)oc4C)c3C)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XWELDWWXJCHJCV-UHFFFAOYSA-N
rxn:4:219707:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c1F,KVKWABNCMAFZDU-UHFFFAOYSA-N
rxn:4:220141:222423,COc1c(-c2ccc3c(C(=O)N4CCC(N5C(=O)CSC5=O)C4)n(C)nc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZCLWFVFYNVGLDE-UHFFFAOYSA-N
rxn:4:221271:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(-n4c(-c5ccccc5)cn5c6c(=O)n(CCCO)c(=O)n(C)c6nc45)cc3)c(F)ncc21,LJKAJBKEIWPUJU-UHFFFAOYSA-N
rxn:4:221538:223557,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,XNZSDEGWWAGXJM-UHFFFAOYSA-N
rxn:4:221557:222423,COC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)n(C)c1=O,AGSQCSLBFHHQTF-UHFFFAOYSA-N
rxn:4:221746:223841,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n4CCN5c4ccccc4)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1,OOJBCPFPEVGGPC-UHFFFAOYSA-N
rxn:4:221747:223993,Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCN5c4ccc(F)cc4)n(C)c3=O)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,VISJQIIQTOEPQL-UHFFFAOYSA-N
rxn:4:221759:222423,COc1c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JALAUACYEUYNGR-UHFFFAOYSA-N
rxn:4:221767:223841,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCN4c3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)n(C)c2=O)c1,MTSZGXDMTNEZER-UHFFFAOYSA-N
rxn:4:221783:223845,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)c1,AXUCGJODDVBUFE-UHFFFAOYSA-N
rxn:4:221929:224308,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(F)c(F)c(O[Si](C)(C)C(C)(C)C)c5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,KDLCFKSOMDONEE-UHFFFAOYSA-N
rxn:4:221986:222439,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cc2)CC1,BPLNDLDOHHIOOY-UHFFFAOYSA-N
rxn:4:221987:222465,COCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)ccc3OC)nnc12,VNRYMMFGJVABDG-UHFFFAOYSA-N
rxn:4:221990:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)c(-c4nnc5n(CCC(C)C)c6c(=O)n(C)c(=O)n(C)c6n45)c3)c(F)cc2C)CC1,IYGWGWSABUYMBL-UHFFFAOYSA-N
rxn:4:221994:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,VRDBEZBOQURKOK-UHFFFAOYSA-N
rxn:4:221995:223684,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(OCc6cccnc6)ccc5OC(F)(F)F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,JTKOCCRKBVBIFM-UHFFFAOYSA-N
rxn:4:221995:223925,Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)c(F)c(OCc2ccccc2)c1F,QKKHOIRZCGUJJB-UHFFFAOYSA-N
rxn:4:221995:224405,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCCC5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,IMLXBMFPXLOPFV-UHFFFAOYSA-N
rxn:4:221995:225010,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(F)c(CN6CCCCC6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,XGOKILDMCSAWSI-UHFFFAOYSA-N
rxn:4:222135:222538,COc1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,WEDSEGJOPAUMJH-UHFFFAOYSA-N
rxn:4:222144:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)CC1,QNXRDRRTUMCFID-UHFFFAOYSA-N
rxn:4:222202:222628,Cn1c(=O)c2c(nc3n(-c4ccc(-c5cc(C6CCC6)nc(C6CCCNC6)c5)cc4)c(-c4cccc([N+](=O)[O-])c4)cn23)n(C)c1=O,QZMRZFSISIUYDY-UHFFFAOYSA-N
rxn:4:222362:222485,Cc1cccc(NC(=O)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2F)c1C,HCRIHORTWJPENP-UHFFFAOYSA-N
rxn:4:222362:223491,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(N7CCN(C(=O)OC(C)(C)C)CC7)cc(C(F)(F)F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,WGDVLOSVSKMKOH-UHFFFAOYSA-N
rxn:4:222362:223640,CCOC12C(=O)c3cc(F)cc(-c4cc(-c5cn(Cc6cn7cc(CN8CCC(C)(C)CC8)ccc7n6)nn5)c5cn[nH]c5c4)c3C(=O)C1C2(C)C,HBJVQQZNDMYUOG-UHFFFAOYSA-N
rxn:4:222362:226718,COc1nc(OC)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1SC,DUHVEEXQIODMGI-UHFFFAOYSA-N
rxn:4:222363:222631,Cc1cc(CN2CCN(c3c(-c4cc(C5CCNCC5)nc(C(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NRFHKOBHRDGWIZ-UHFFFAOYSA-N
rxn:4:222363:224087,Cc1cc(CN2CCN(c3c(-c4cccc(OCCN5CCCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NXMFKUZRCPJXNC-UHFFFAOYSA-N
rxn:4:222363:225051,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(N5CCCC(C)C5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PVPBVAGSYPMTFX-UHFFFAOYSA-N
rxn:4:222363:225685,Cc1cc(CN2CCN(c3c(-c4cnc(Cl)c(C5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VTGPJOZUZIIABC-UHFFFAOYSA-N
rxn:4:222363:226412,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(N5CCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OQLZDMKIMBSRCD-UHFFFAOYSA-N
rxn:4:189692:227201,O=[N+]([O-])c1ccc(OC2CCOCC2)c(-c2ccnc3ccc(F)cc23)c1,VNJSVJIBMZBPMV-UHFFFAOYSA-N
rxn:4:201189:222465,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1,GCDRVVNDXWERDG-UHFFFAOYSA-N
rxn:4:201189:222466,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1,FRSNNJUTUCCAGR-UHFFFAOYSA-N
rxn:4:201189:222538,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1,RJJNYJOOCNMFOR-UHFFFAOYSA-N
rxn:4:202809:222389,COc1ccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1OC,NVVMHHWICXLEMJ-UHFFFAOYSA-N
rxn:4:212839:222702,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CCCNC5)ccc4C(F)(F)F)ccn23)CC1,ADKWCOYAJIDZGW-UHFFFAOYSA-N
rxn:4:212839:222743,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C(C)N5CCC(O)CC5)cc4)ccn23)CC1,DGVGAJRFXYCMDX-UHFFFAOYSA-N
rxn:4:213451:222930,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cnc(Cl)c(N6CCCC(O)C6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,YDODDTXDPBOBHK-UHFFFAOYSA-N
rxn:4:219725:222423,COc1c(-c2ccc(CSc3nc(-c4ccc(F)cc4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QGRVXUDYTLRWRT-UHFFFAOYSA-N
rxn:4:221265:222423,COc1c(-c2ccc(S(=O)(=O)c3nnn4c3nc(N(C)Cc3ccccc3)c3ccccc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DWHRVMXTUCTTHL-UHFFFAOYSA-N
rxn:4:221277:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(Oc4ccccc4)cc3)n(C)c2=O)cc1,KDBLPWAXJBTIIJ-UHFFFAOYSA-N
rxn:4:221418:222423,COc1c(-c2cncc(C(=O)N3CCN(c4ccc(-c5ccccc5C)nn4)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QWORRWJVDUBVSE-UHFFFAOYSA-N
rxn:4:221773:223841,Cc1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)n(C)c2=O)cc1,KLVBBMVDXJGVOV-UHFFFAOYSA-N
rxn:4:221929:224305,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c5F)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,LXMBGRIWZZDNIC-UHFFFAOYSA-N
rxn:4:221983:222389,Cc1cc(C)n2c(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)nc2n1,PMLGNYBYYVIFEA-UHFFFAOYSA-N
rxn:4:221983:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc2nc(C)cc(C)n12,BTOQUSOUXXOLOE-UHFFFAOYSA-N
rxn:4:221995:222466,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,WACKSRSCPADWSS-UHFFFAOYSA-N
rxn:4:221995:222828,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)NC5CC5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,KAYXJGZLNZNDKV-UHFFFAOYSA-N
rxn:4:221995:223488,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc6cc(Oc7ccccc7)ccc6n5C(=O)OC(C)(C)C)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,DDFJDLNOXOHBTB-UHFFFAOYSA-N
rxn:4:221995:224420,Cc1cc2c(cc1-c1ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc1)C(C)(C)CCC2(C)C,NAMDZAOTBSKZKA-UHFFFAOYSA-N
rxn:4:221995:224823,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(-c6cscn6)cc(C(F)(F)F)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,QMAHZFXRZJNCFM-UHFFFAOYSA-N
rxn:4:222134:222465,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCCCC6)nc(C6CCCNC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,TYXLLAAGXYNSML-UHFFFAOYSA-N
rxn:4:222143:222423,COc1c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCCCC4)c(=O)n3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LBAQWMKYJYKCQI-UHFFFAOYSA-N
rxn:4:222250:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCCn5ccnc5)c(C)cn34)n(C)c2=O)cc1,AWQYCXYIAJJPQW-UHFFFAOYSA-N
rxn:4:222302:222423,COc1c(-c2cnc(OCC3CCCN(c4ncnc5c4ncn5C)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LBNSCWJLRCFDDD-UHFFFAOYSA-N
rxn:4:222349:222730,CCCc1cc(-c2cncc(C(=O)N3CC4CN(c5ncnc6c5ncn6C)CC4C3)c2)cc(C2CCNCC2)n1,PZPMQWVAGRBIDB-UHFFFAOYSA-N
rxn:4:222362:222435,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(C(=O)Nc7ccc(OC(F)(F)F)cc7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,WALPERIFQRRCGV-UHFFFAOYSA-N
rxn:4:222362:222479,Cc1ccc(CNC(=O)c2cc(F)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)cc1,KWEWKYJGXCLZKC-UHFFFAOYSA-N
rxn:4:222362:222700,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C(F)(F)F)cc6C6CCCNC6)cc6[nH]ncc56)nn4)cn3c2)CC1,JJBKEGFLXCYLPJ-UHFFFAOYSA-N
rxn:4:222362:223906,COc1ccc(CSc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2F)cc1,KKFAOSXOWUNDHC-UHFFFAOYSA-N
rxn:4:222362:225275,COCCOc1c(F)c(C)cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1F,SIUZVMSXLNNBMW-UHFFFAOYSA-N
rxn:4:222362:227769,COc1ncc([N+](=O)[O-])cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,KKOKFWUKTIFZSS-UHFFFAOYSA-N
rxn:4:222363:223565,Cc1cc(CN2CCN(c3c(-c4ccc(-c5ncc(-c6ccc(N(C)C)cc6)o5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OTCISWHYZLSAIE-UHFFFAOYSA-N
rxn:4:222363:225381,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AUVWTJNNQCLKIJ-UHFFFAOYSA-N
rxn:4:222363:228960,Cc1cc(CN2CCN(c3c(-c4cc(Cl)cc(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PABKGMVWJKHLGS-UHFFFAOYSA-N
rxn:4:201186:222423,CCCOc1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,GZCYGCZKVFFRIQ-UHFFFAOYSA-N
rxn:4:212754:223570,COC(=O)Cn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)ccc21,QRIDDMCSUSJDAI-UHFFFAOYSA-N
rxn:4:215282:222423,CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)s1,HORHQYXCBYZANJ-UHFFFAOYSA-N
rxn:4:218696:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(C)nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C,DJVAKLSMRAADGO-UHFFFAOYSA-N
rxn:4:218751:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc3nc(N(Cc4ccccn4)C(=O)c4ccc(N(C)C)cc4)sc3c2)CC1,GZSLYEXHIXSVHI-UHFFFAOYSA-N
rxn:4:218760:222389,O=c1c2ccccc2nc(SCc2nc(-c3cccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)c3)no2)n1Cc1ccc(Cl)cc1,XOGXWAVDJSVSMK-UHFFFAOYSA-N
rxn:4:219552:222423,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,RAIWYJVUGPMVFE-UHFFFAOYSA-N
rxn:4:221099:222423,COc1c(-c2cnc(OCC3CCCN(C(=O)c4cn(C)nc4C(F)F)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DEJRUUKHVBBBDW-UHFFFAOYSA-N
rxn:4:221264:222423,CCOCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)n(C)c1=O,UXPSADYYDFDBGW-UHFFFAOYSA-N
rxn:4:221430:222423,COc1c(-c2cncc(C(=O)N3CCN(c4c(C)nn(-c5ccccc5)c4C)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LKDITFLTQHFHJG-UHFFFAOYSA-N
rxn:4:221757:223841,Cc1cc(F)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,AFNYUOBMIKNJNY-UHFFFAOYSA-N
rxn:4:221759:223841,Cc1cc(F)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,UMIIXRFUVAPPQI-UHFFFAOYSA-N
rxn:4:221769:223841,Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)c(=O)n2C)c1,FJVRBZIKTSNKRZ-UHFFFAOYSA-N
rxn:4:221789:223844,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C(F)(F)F)cc3)n(C)c2=O)cc1,XVPLDDPDZULOQO-UHFFFAOYSA-N
rxn:4:221792:223845,CC1CN(C2CCCCC2)c2nc3c(c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4)c(=O)n3C)n2C1,RALZNRHJWOTQAJ-UHFFFAOYSA-N
rxn:4:221928:223841,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)ccc3OC)nnc12,APBCRTLTTXYJFX-UHFFFAOYSA-N
rxn:4:221929:223524,COc1ccc2c(c1)c(-c1ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc1)cn2S(=O)(=O)c1ccc(C)cc1,MLRWLNBYKIRDGU-UHFFFAOYSA-N
rxn:4:221929:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)CC1,DYGIKSRSLPHXGC-UHFFFAOYSA-N
rxn:4:221990:223845,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,OYLJTZFYZPAZGQ-UHFFFAOYSA-N
rxn:4:221991:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(-c3nnc4n(CCCc5ccccc5)c5c(=O)n(C)c(=O)n(C)c5n34)cc2)CC1,UBDGIWLTYJUAJT-UHFFFAOYSA-N
rxn:4:221995:224765,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(C(F)(F)F)ccc5N5CCCC5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,XRJQYKNPZBQFOD-UHFFFAOYSA-N
rxn:4:221995:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,RZPDSKWRWGFOEZ-UHFFFAOYSA-N
rxn:4:221995:227158,Cc1c2c(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)c(C)n56)n(C)c4=O)cc3)cccc2nn1C,IZNSLDWRFBKONK-UHFFFAOYSA-N
rxn:4:222137:223842,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc1,IVVSBTBGDUEIEV-UHFFFAOYSA-N
rxn:4:222235:222423,COc1c(-c2ccc(Cn3c(=O)c4c(nc5n4C(C)C(C)=NN5C)n(C)c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,WVSQYZVPUJIPKU-UHFFFAOYSA-N
rxn:4:222307:222423,CCc1nnc2ccc(N3CC4CN(C(=O)c5cncc(-c6cccc(-c7nc8ccc9[nH]ncc9c8c8c7CCC8)c6OC)c5)CC4C3)nn12,SNQLOVHVYVGPQV-UHFFFAOYSA-N
rxn:4:222362:222481,Cc1ccc(C)c(NC(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2F)c1,UVOACYPJYNDQSQ-UHFFFAOYSA-N
rxn:4:222362:222756,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(CNC(=O)c7cccs7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,FGQQDSDNLWDRLA-UHFFFAOYSA-N
rxn:4:222362:223488,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc7cc(Oc8ccccc8)ccc7n6C(=O)OC(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,WCAAFDNKQRJJPV-UHFFFAOYSA-N
rxn:4:222362:223539,COc1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,AKIRBTNFTMXGLQ-UHFFFAOYSA-N
rxn:4:222362:223635,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C7CCN(C(=O)OC(C)(C)C)CC7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,VSRSOKXTQVSCIO-UHFFFAOYSA-N
rxn:4:222362:223686,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,BNEVFVBUCVZYEU-UHFFFAOYSA-N
rxn:4:222362:223729,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(C)(C)C)ccc6OCc6ccccc6)cc6[nH]ncc56)nn4)cn3c2)CC1,ZPLOJESSWIFXIA-UHFFFAOYSA-N
rxn:4:222362:223953,COCCN1CCN(c2cc(F)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,XNABDSZUNRYONV-UHFFFAOYSA-N
rxn:4:222362:224304,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6c(F)ccc(O[Si](C)(C)C(C)(C)C)c6Cl)cc6[nH]ncc56)nn4)cn3c2)CC1,YYPUSNNLGJBUAO-UHFFFAOYSA-N
rxn:4:222362:225152,COc1cc(-n2cnc(C)c2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,CRSKOLIBUQCBAM-UHFFFAOYSA-N
rxn:4:222363:224125,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCN(C6CC6)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PXTZNKICDHQORU-UHFFFAOYSA-N
rxn:4:222363:225206,Cc1cc(CN2CCN(c3c(-c4cc(C(F)(F)F)c(C)cc4C4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IQMKXAPGRSKUHJ-UHFFFAOYSA-N
rxn:4:222363:226417,Cc1cc(CN2CCN(c3c(-c4cc(Cl)cc(N5CCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HAAMZMMKQVGGSI-UHFFFAOYSA-N
rxn:4:222363:229080,Cc1cc(CN2CCN(c3c(-c4cnc(C5CC5)s4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ATEDMYYVEANBFO-UHFFFAOYSA-N
rxn:4:199724:222423,COc1c(-c2cc(F)c([N+](=O)[O-])c(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IPPMSZUYGDKGKB-UHFFFAOYSA-N
rxn:4:199747:222423,COc1c(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(Oc3ccccc3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VXTBFQUNHRZICL-UHFFFAOYSA-N
rxn:4:199918:222423,COc1c(-c2ccc(C(=O)OCC(C)C)c(Oc3cnc4[nH]ccc4c3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,WSFCYEABWYYSOJ-UHFFFAOYSA-N
rxn:4:201294:227506,N#Cc1cc(-c2cccc(/C=C/[N+](=O)[O-])c2)cnc1OCC1CC1,UERFPVJKKXOVPU-VOTSOKGWSA-N
rxn:4:204180:222423,COc1c(-c2cc(S(=O)(=O)N3CCN(c4ccc(C)cc4C)CC3)c(C)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QOZBELHUKGXZEK-UHFFFAOYSA-N
rxn:4:204846:222423,COc1c(-c2ccc(CN3C(=O)N(c4cc(C)ccc4C)C4CS(=O)(=O)CC43)c(F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GQSHGRUKVRIKKX-UHFFFAOYSA-N
rxn:4:212839:223841,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)ccn23)CC1,ABRXSYMPZBFONA-UHFFFAOYSA-N
rxn:4:213445:222891,COc1cc(-c2c(OC)ccc3cc(-c4nc5c(-c6ccc(OC)c(OC)c6)cnn5cc4C)ccc23)cc(C2CCNCC2)n1,NVUNFQIXIIIYQL-UHFFFAOYSA-N
rxn:4:213450:222890,COc1cc(-c2ccc3nc(C)c(C4=NN(C(=O)C(C)C)C(c5ccccc5F)C4)c(-c4ccccc4)c3c2)cc(C2CCCNC2)n1,IDJKHNOHBURKNJ-UHFFFAOYSA-N
rxn:4:219706:222423,COc1c(-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CZGFVRYOMJJPOQ-UHFFFAOYSA-N
rxn:4:219773:222423,CCn1cc(-c2nc(-c3cccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)c3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21,HOXZBDSRWVZLFU-UHFFFAOYSA-N
rxn:4:220149:222423,COc1c(-c2ccc3c(N4CC(C(=O)N5CCOCC5)CC4=O)[nH]nc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CKVWRMNAKLAIAM-UHFFFAOYSA-N
rxn:4:221556:222518,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(F)c6sc(NC(=O)OC(C)(C)C)nc56)cc4)c(=O)n(C)c3nc2n1CCO,VHFZBQICRRMVIL-UHFFFAOYSA-N
rxn:4:221777:224667,CC1CN(c2ccc(-c3ccc(Cl)c(CN4CCN(C)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,WJFILEUEHXQXBG-UHFFFAOYSA-N
rxn:4:221789:223845,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)n(C)c2=O)cc1,RUVWOHOTPMZOCC-UHFFFAOYSA-N
rxn:4:221928:223691,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(OCc5cccnc5)c(C(F)(F)F)cc4Cl)ccc3OC)nnc12,UJEWGNYPJOETRZ-UHFFFAOYSA-N
rxn:4:221987:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)c(-c4nnc5n(CCOC)c6c(=O)n(C)c(=O)n(C)c6n45)c3)c(F)cc2C)CC1,HCBZNCHKOJSAGQ-UHFFFAOYSA-N
rxn:4:222135:222465,COc1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,XMGABIXQTCTDLE-UHFFFAOYSA-N
rxn:4:222137:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1ccc(-n2c(C)cn3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)cc1,BQWKJLSSFCOUSA-UHFFFAOYSA-N
rxn:4:222234:223570,CC1=NN(Cc2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1C,XHZKLEVRLJFADZ-UHFFFAOYSA-N
rxn:4:222267:223570,CCc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5cccc(-c6c(F)ncc7c6ccn7[Si](C(C)C)(C(C)C)C(C)C)c5)no4)cnc32)cc1,ZYWLLFQLIWCHLU-UHFFFAOYSA-N
rxn:4:222319:222423,COc1c(-c2ccc(C(=O)N3CCN(c4ncnc5c4nnn5-c4ccc(C)cc4)CC3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YLRPNYPFCIFHFW-UHFFFAOYSA-N
rxn:4:222362:222507,COc1ccc(NC(=O)c2ccc(F)c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)cc1,UHBHXMJFCOIPMV-UHFFFAOYSA-N
rxn:4:222362:223266,CNC(=O)c1ccc(F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,FTQUDYSIWZPMHL-UHFFFAOYSA-N
rxn:4:222362:224078,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc7c6ccn7[Si](C)(C)C(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,RPHCPCQUDTVZDA-UHFFFAOYSA-N
rxn:4:222362:224489,CC(C)N(Cc1ccc(F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1)C(C)C,ZVZDGAKVSPSQNH-UHFFFAOYSA-N
rxn:4:222362:225003,COc1cc(N2CCCCC2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,HKJAHVQTIAVIPK-UHFFFAOYSA-N
rxn:4:222362:225209,Cc1nc(N2CCCCC2C)ncc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,NEMNZACOCKBWPV-UHFFFAOYSA-N
rxn:4:222362:227146,Cc1c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc2c1cnn2C,JOOVOWIRFGNZSA-UHFFFAOYSA-N
rxn:4:222363:223648,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KOPJPSWHYUDVGI-UHFFFAOYSA-N
rxn:4:222363:223651,Cc1cc(CN2CCN(c3c(-c4ccc(C5CCN(C(=O)OC(C)(C)C)C5)nc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KYBSRAWRXBJQMP-UHFFFAOYSA-N
rxn:4:222363:226458,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)c(C#N)nn5C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AHZYDMFXNDWBGH-UHFFFAOYSA-N
rxn:4:188026:222389,CC(C)c1ccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2CC2CCCO2)cc1,BZWQIYWREBRYMK-UHFFFAOYSA-N
rxn:4:193261:222998,Fc1cc(-c2cnc(C(F)(F)F)c(C3CCCC3)c2)cc(C2CCCNC2)c1,JKSCEBHOMLUWLM-UHFFFAOYSA-N
rxn:4:199855:222423,COc1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)c(OC)cc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,CXDNMFJDZBLJLV-UHFFFAOYSA-N
rxn:4:200033:222423,COc1c(-c2cnc3cc(CN4CCC(CO[Si](C)(C)C(C)(C)C)C4)oc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LNFSWULYSBJPJR-UHFFFAOYSA-N
rxn:4:200057:222423,COc1c(-c2ccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCOCC6)ccc(c45)C3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FEYCWZDKBJBFRP-UHFFFAOYSA-N
rxn:4:200904:222423,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)=NC23CCCCCC3)cc1OC,REPDMGOFDJQQEX-UHFFFAOYSA-N
rxn:4:201019:222423,COc1c(-c2ccc(C(=O)OC(C)(C)C)c(Oc3cnc4[nH]ccc4c3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,NSLOJPBBWIVXGQ-UHFFFAOYSA-N
rxn:4:201167:222423,CCOc1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nccs2)cc1OC,XFHYPIJTKSGRKR-UHFFFAOYSA-N
rxn:4:202783:222423,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2cc(C)on2)cc1,FXXUNWVWRJDPQF-UHFFFAOYSA-N
rxn:4:202793:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(OC(C)C)cc2)N(c2nccs2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RIPHXGYCOMJPSU-UHFFFAOYSA-N
rxn:4:202800:222423,CC#Cc1cc2c(c(F)c1-c1cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c1OC)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,GWRDDHXRVMMIPH-RUZDIDTESA-N
rxn:4:204845:222423,COc1c(-c2ccc(CN3C(=O)N(c4cc(C)cc(C)c4)C4CS(=O)(=O)CC43)c(F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BOLHKEZQIOGGKA-UHFFFAOYSA-N
rxn:4:204866:222423,COc1c(-c2ccc(N3C=C(C(=O)N4CCC(C)CC4)S(=O)(=O)c4ccccc43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JXHBLVADRHRTMJ-UHFFFAOYSA-N
rxn:4:204870:222423,COc1c(-c2ccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(F)cc43)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VGXZBVXJIITPMB-UHFFFAOYSA-N
rxn:4:212741:223728,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)C(C)C4)c(N4CCCC4)c3)c(F)c2)CC1,CCMZARSECIDTLO-UHFFFAOYSA-N
rxn:4:214388:222537,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)c(OC)cc12)CC3,VWVLNNDAWLFVTM-UHFFFAOYSA-N
rxn:4:218725:222423,CCOC(=O)Cn1c(=O)c2c(nc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)n2Cc2ccccc2Cl)n(C)c1=O,XKLFYCFMBUIFHS-UHFFFAOYSA-N
rxn:4:218764:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2Cc2ccccc2Cl)CC1,APUXBZFIJIGYST-UHFFFAOYSA-N
rxn:4:219532:222423,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,PVZJHUQHRQBFGY-UHFFFAOYSA-N
rxn:4:221277:222466,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,HRBKIFDSMRDQOG-UHFFFAOYSA-N
rxn:4:221277:222624,CC(C)Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc(C2CCNCC2)n1,RPJWNFPJZOKXKQ-UHFFFAOYSA-N
rxn:4:221277:222848,CCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,XQMAADKSKLVHIG-UHFFFAOYSA-N
rxn:4:221570:222423,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)c(=O)n2C)c1,VVJCJGWKIUWNFN-UHFFFAOYSA-N
rxn:4:221766:222389,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)cc1,AAAFSMYAISFOST-UHFFFAOYSA-N
rxn:4:221782:222466,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c(C)c1,HJVIUNXJOMHATB-UHFFFAOYSA-N
rxn:4:221786:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(C)c(C)c3)n(C)c2=O)cc1,ZBYMFPRBJDBEAQ-UHFFFAOYSA-N
rxn:4:221995:224774,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(N6CCCC6)c(C(F)(F)F)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,BKQMCLZCARIYFH-UHFFFAOYSA-N
rxn:4:221995:225841,Cc1cn(-c2cc(F)cc(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)c(C)n56)n(C)c4=O)cc3)c2)cn1,CAKAYCXJIXBWLM-UHFFFAOYSA-N
rxn:4:221995:225919,COCc1cc(C(F)(F)F)ccc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,QMDYFKWTDBSMDM-UHFFFAOYSA-N
rxn:4:222144:223991,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c2F)cc1,SCPVFXBTKAJOLI-UHFFFAOYSA-N
rxn:4:222195:222465,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)CC1,KOWDAMJZKHVCOF-UHFFFAOYSA-N
rxn:4:222205:222465,Cc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCCCC6)nc(C6CCCNC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,QEFJBHIXFNZEGS-UHFFFAOYSA-N
rxn:4:222205:222741,Cc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CC6)nc(C6CCCNC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,KOFKWQDFCCIGJI-UHFFFAOYSA-N
rxn:4:222262:222423,COc1c(-c2cc(-c3noc(Cn4cnc5c(nnn5Cc5cccc(F)c5)c4=O)n3)ccc2F)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OIWUQZNOROBTBR-UHFFFAOYSA-N
rxn:4:222362:222441,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C(=O)Nc7ccc(C(C)(C)C)cc7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,NZIWNRQSLUCXLC-UHFFFAOYSA-N
rxn:4:222362:225974,Cc1nnc(-c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2F)o1,LAQZFMGRMIRPPT-UHFFFAOYSA-N
rxn:4:222363:224302,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,MKMPDRXERDLVCK-UHFFFAOYSA-N
rxn:4:222363:224418,Cc1cc(CN2CCN(c3c(-c4cccc5c4-c4ccccc4C5(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LDGPUADUAZSWHD-UHFFFAOYSA-N
rxn:4:200000:222423,CCCCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)c(C)c1,IYXUNXSDZIYYJW-UHFFFAOYSA-N
rxn:4:200009:222423,COc1c(-c2ccc(Cn3cc(SCC(=O)N4CCCCC4)c4ccccc43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LMTJCKPJDKEYEA-UHFFFAOYSA-N
rxn:4:200053:222466,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1cccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c1,VFZDXZDSBRXHNT-UHFFFAOYSA-N
rxn:4:200054:222466,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1,IMHQVRTWLZCASX-UHFFFAOYSA-N
rxn:4:200286:222423,COc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1C=Cc1ccc([N+](=O)[O-])cc1C#N,KZPIJUCUUXJPOZ-UHFFFAOYSA-N
rxn:4:201187:222423,CCCOc1cccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,DVNLQEUOAUFTAO-UHFFFAOYSA-N
rxn:4:201189:222537,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1,FYKRBNWUFAXNOS-UHFFFAOYSA-N
rxn:4:202784:222423,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1,KCGPWIWBWNWAGS-UHFFFAOYSA-N
rxn:4:202795:222423,COc1cccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2cc(C)on2)c1OC,QLMLMOCNLMSRMX-UHFFFAOYSA-N
rxn:4:202809:222423,COc1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1OC,CNVCXRUYTRYITG-UHFFFAOYSA-N
rxn:4:204757:222423,COc1c(-c2ccc3c(ccn3CC(=O)N3CCC4(CC3)OCCO4)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HBDXQLHWTMFJIM-UHFFFAOYSA-N
rxn:4:204833:222423,COc1c(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OVNQBQNYRKWILW-UHFFFAOYSA-N
rxn:4:204838:222423,COc1c(-c2ccc(N3C(=O)C4ON(c5ccccc5C)C(c5ccco5)C4C3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BLZQLXHNWPYGCK-UHFFFAOYSA-N
rxn:4:204869:222423,COc1c(-c2ccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HUBRBQZDMLZSPW-UHFFFAOYSA-N
rxn:4:204930:222423,COc1c(-c2ccc(C3c4c(oc5ccccc5c4=O)C(=O)N3c3nc(C)c(C(C)=O)s3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HYGDTILEUSMMMJ-UHFFFAOYSA-N
rxn:4:204957:222389,Cc1cccc(N2C(=O)c3oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c(=O)c3C2c2ccc(C(C)C)cc2)n1,DASBAOFVJYJHSC-UHFFFAOYSA-N
rxn:4:207951:222423,COc1c(-c2ccc(C3c4c(oc5ccc(C)cc5c4=O)C(=O)N3c3nc(C)c(C)s3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HEUTUOLVSGCEJD-UHFFFAOYSA-N
rxn:4:213451:222857,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(OC)cc(C6CCNCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,XRBPJMCEMVWZJG-UHFFFAOYSA-N
rxn:4:219774:222423,CCn1cc(-c2nc(-c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21,SNAXJTQOSQBZII-UHFFFAOYSA-N
rxn:4:220239:222465,CN1C(=O)[C@@H](N2CCc3c(nn(Cc4ccccc4)c3-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)C2=O)COc2ccccc21,GECQGHJSZAHIMA-HVWQOXBCSA-N
rxn:4:221572:223970,Cc1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCC(C)C)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCC(C)CC1,NZEOCFUVOBTDBN-UHFFFAOYSA-N
rxn:4:221789:222524,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)n(C)c2=O)cc1,FZYYVRDHBCNRSX-UHFFFAOYSA-N
rxn:4:221990:223597,COc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,GZRUHMHDDSSBIS-UHFFFAOYSA-N
rxn:4:221995:223835,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCC(C)CC1,RKTFWZNNCRFPIQ-UHFFFAOYSA-N
rxn:4:221995:225848,Cc1cn(-c2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)c(C)n56)n(C)c4=O)cc3)c(Cl)c2)cn1,YXMAFUIYHRWFEZ-UHFFFAOYSA-N
rxn:4:222120:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)CC1,RGDGPTJCXKQPSH-UHFFFAOYSA-N
rxn:4:222134:222389,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,KPPUBKWRDHBRDJ-UHFFFAOYSA-N
rxn:4:222205:223542,Cc1ccc(-c2nnc3n(Cc4ccc(-c5ccc(OC(F)(F)F)c(S(=O)(=O)N6CCN(C)CC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,YNCLHFPSEHHJRP-UHFFFAOYSA-N
rxn:4:222306:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5ccc(F)cc5)CC4)o3)c(F)ncc21,ZQFPYEMNKQRTDH-UHFFFAOYSA-N
rxn:4:222362:222503,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)cc(C(=O)NCc7ccc(F)cc7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,WPOCVTHIANNVCU-UHFFFAOYSA-N
rxn:4:222362:223813,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CN7CCC8(CC7)OCCO8)c(F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,IYRDYEHKWVDILT-UHFFFAOYSA-N
rxn:4:222363:223599,Cc1cc(CN2CCN(c3c(-c4cc5cc(C(F)(F)F)ccc5n4C(=O)OC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DUQQSRLURMGLGZ-UHFFFAOYSA-N
rxn:4:222363:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,UMRULHKYMGFHIU-UHFFFAOYSA-N
rxn:4:222363:224070,Cc1cc(CN2CCN(c3c(-c4cncc(-c5ccc(C(C)(C)C)cc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GMAJYQLAGPKDDK-UHFFFAOYSA-N
rxn:4:222363:225052,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(N5CCCCC5C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,MCRDYLXALVFKGE-UHFFFAOYSA-N
rxn:5:188932:227667:227048,COC(=O)c1cc(-c2ccc(C(=O)C(C)C)cc2)c(S(N)(=O)=O)c(-c2c(F)ccc(C(C)=O)c2F)c1,VFHNLXFPFVTWGS-UHFFFAOYSA-N
rxn:4:184247:222630,Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(-c2cc(C4CCC4)nc(C4CCNCC4)c2)cc1)N(CCCOC(C)C)C3=O,PLRZYEZUWYNTDO-UHFFFAOYSA-N
rxn:4:189926:227877,Cc1cc2cc(-c3ccc(CS(=O)(=O)N4CCOCC4)cc3)ccc2s1,SOIMQTCXZSWCFX-UHFFFAOYSA-N
rxn:4:199881:222461,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4c(F)cc(F)c5sc(NC(=O)OC(C)(C)C)nc45)cc3)=NC23CCCCCC3)cc(OC)c1OC,IGZIXXQCUSDHNV-UHFFFAOYSA-N
rxn:4:199934:222423,C#CCn1c(=NC(=O)c2ccc(OC)cc2OC)sc2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,BZYKMPMKYWJLGP-UHFFFAOYSA-N
rxn:4:199944:222423,COc1c(-c2ccc(S(=O)(=O)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccc4oc(=O)sc4c3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KDZSABFVZSEVJO-UHFFFAOYSA-N
rxn:4:200835:222423,COc1c(-c2ccc(OCc3ccc(Cl)cc3)c(C=C3SC(N4CCOCC4)=NC3=O)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YBADRMLDOZENEW-UHFFFAOYSA-N
rxn:4:200901:222423,COc1cc(OC)cc(C2=NC3(CCCCC3)N(C(=O)c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)C2=S)c1,RVPXZCSZDFEYKD-UHFFFAOYSA-N
rxn:4:201137:222423,COc1ccc(C2c3cccn3CCN2S(=O)(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)cc1OC,CSYOBPQKQJPDBG-UHFFFAOYSA-N
rxn:4:201187:222389,CCCOc1cccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,JDLHAIODWOFEQH-UHFFFAOYSA-N
rxn:4:201606:222423,COc1c(-c2cnc(OCC3CCOCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JGJPMHFURHRDIU-UHFFFAOYSA-N
rxn:4:202322:222423,COc1c(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCCCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JUNRYYYLGVAKIU-UHFFFAOYSA-N
rxn:4:202777:222423,CCOc1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nccs2)cc1,QEEMBFRYWBTQJY-UHFFFAOYSA-N
rxn:4:204875:222423,COc1c(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)C34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GWRVONSSBVRAAH-UHFFFAOYSA-N
rxn:4:212839:223590,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4C)ccn23)CC1,VMPXZMBSNWZDIG-UHFFFAOYSA-N
rxn:4:212839:223953,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)cc(N5CCN(CCOC)CC5)c4)ccn23)CC1,JEWWGYRXFVUYMB-UHFFFAOYSA-N
rxn:4:218782:222423,COc1cc2nc(SCC(=O)c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)n3nc(C)nc3c2cc1OC,TYZAZJHPIPKBGF-UHFFFAOYSA-N
rxn:4:219114:222423,COc1cc(-c2nnc3sc(-c4ccc(F)c(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)c4)nn23)cc(OC)c1OC,LLCPRLBAXYSKCI-UHFFFAOYSA-N
rxn:4:219709:223845,CC(=O)Cn1c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)nc2c1c(=O)n(Cc1cccc3ccccc13)c(=O)n2C,SNJYBPVSVDMNAD-UHFFFAOYSA-N
rxn:4:221260:222423,CCOCCn1c(=O)c2c(nc3n(-c4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4)c(C)cn23)n(C)c1=O,DVQLFDQRWWRNNT-UHFFFAOYSA-N
rxn:4:221277:222986,Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,LYPUCGBTWXKOFJ-UHFFFAOYSA-N
rxn:4:221747:223835,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n4CCN5c4ccc(F)cc4)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCC(C)CC1,WIDYWDMNFIGBIP-UHFFFAOYSA-N
rxn:4:221787:222389,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c1,YFYXXYOKCSAYQJ-UHFFFAOYSA-N
rxn:4:221855:222423,CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)n(C)c1=O,JMHIQSIMRDXXIZ-UHFFFAOYSA-N
rxn:4:221995:223824,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(C(F)(F)F)cnc5OCc5ccccc5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,VKMWGGAGHIBWDJ-UHFFFAOYSA-N
rxn:4:221995:223969,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(C(F)(F)F)ccc5N5CCC(C)CC5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,ZMPYTLRVDRJBLL-UHFFFAOYSA-N
rxn:4:222089:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c(F)ncc21,VRFHGQNURAFHIH-UHFFFAOYSA-N
rxn:4:222142:223845,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1,RDMJPBTYNUXUKI-UHFFFAOYSA-N
rxn:4:222144:225244,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cncc(-c3cccc(F)c3F)c2)cc1,PUGADDZGXDRSCZ-UHFFFAOYSA-N
rxn:4:222205:222466,Cc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,ZIGKKGVLEUIUPJ-UHFFFAOYSA-N
rxn:4:222205:222621,Cc1ccc(-c2nnc3n(Cc4ccc(-c5cc(CC(C)C)nc(C6CCCNC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,RBYPYYNVTCKCMJ-UHFFFAOYSA-N
rxn:4:222263:222423,COc1c(-c2cc(-c3noc(Cn4cnc5c(nnn5Cc5ccc(F)cc5)c4=O)n3)ccc2F)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SSQZVWACHQWQJT-UHFFFAOYSA-N
rxn:4:222362:222613,CCCNS(=O)(=O)c1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(C(F)(F)F)c1,RVBAMHCKPFREBI-UHFFFAOYSA-N
rxn:4:222362:224052,CCCc1ccc(-c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(F)c2)cc1,WRCBAWQATWHYBA-UHFFFAOYSA-N
rxn:4:222362:225009,Cc1cnc(OC2CCCCC2)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,MNEQALKBZINFSJ-UHFFFAOYSA-N
rxn:4:222363:222480,Cc1cc(CN2CCN(c3c(-c4ccc(F)c(C(=O)Nc5cccc(C)c5C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GLRCRYDWLXDGHM-UHFFFAOYSA-N
rxn:4:222363:222677,Cc1cc(CN2CCN(c3c(-c4ccc(F)cc4CNC(=O)OC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XRGCFQHYXLIKKB-UHFFFAOYSA-N
rxn:4:222363:222729,CCCc1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc(C2CCCNC2)n1,CPMIJRQXSUZPRV-UHFFFAOYSA-N
rxn:4:222363:224766,Cc1cc(CN2CCN(c3c(-c4cc(N5CCCC5)cc(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UHRBDVQVHTWBLA-UHFFFAOYSA-N
rxn:4:222363:225824,Cc1cc(CN2CCN(c3c(-c4cc(C5CC5)cc(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JHAGYCHAYGUGTJ-UHFFFAOYSA-N
rxn:4:180705:223184,COc1ccc2cc(C(C)=O)ccc2c1-c1cnc(N2CCNCC2)nc1,GDKYRJYZUMJZNX-UHFFFAOYSA-N
rxn:4:187995:222423,CCc1cc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,ZVFNKENKVXEMSA-UHFFFAOYSA-N
rxn:4:200053:222616,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1cccc(-c2cc(C3CCNCC3)cc(C(C)(C)C)c2)c1,FLWZYMGKOMDYBK-UHFFFAOYSA-N
rxn:4:201140:222423,COc1cc(OC)cc(N2C(=O)N(Cc3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)c3ccccc3S2(=O)=O)c1,BTBKXELQALXKIV-UHFFFAOYSA-N
rxn:4:201184:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2)N(CCCN2CCOCC2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ABJNCRYPTQGXGI-UHFFFAOYSA-N
rxn:4:202353:222423,COc1ccc(C=C2SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,KUHATEWKJKAXPL-UHFFFAOYSA-N
rxn:4:202736:222423,CCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,KSGUJPSCNRROPV-UHFFFAOYSA-N
rxn:4:204152:222423,COc1c(-c2ccc(CN3CCC(F)(F)CC3)c(N3CCCCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SIYHNSFWIGDEDC-UHFFFAOYSA-N
rxn:4:204796:222423,COc1c(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HOBVZQQAVXJAGU-UHFFFAOYSA-N
rxn:4:204928:222423,COc1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1,SZEFLWCRIVKWAV-UHFFFAOYSA-N
rxn:4:217892:222423,COc1c(-c2cc(C)c(-n3c(C)c(C)c4c(Cl)nc(C)nc43)c(C)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YZHKBXLTHJYZMF-UHFFFAOYSA-N
rxn:4:218696:222389,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,MXDXUYUKAPNWHP-UHFFFAOYSA-N
rxn:4:220253:222742,O=[N+]([O-])c1cccc(-n2nc(-c3cccc(-c4cc(C5CCNCC5)nc(C5CC5)c4)c3)c3cnc4ccc(F)cc4c32)c1,QFHMNOFDKZZIKA-UHFFFAOYSA-N
rxn:4:221252:222466,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1,ROZAXJHNYNYYBP-UHFFFAOYSA-N
rxn:4:221277:222524,Cn1c(=O)n(Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,XNPSGVVWZGXFNM-UHFFFAOYSA-N
rxn:4:221277:222851,CCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc(C2CCNCC2)n1,TWGNELRFRMRGKI-UHFFFAOYSA-N
rxn:4:221538:222466,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1,UWYKLLMCHSALHG-UHFFFAOYSA-N
rxn:4:221539:223845,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)CC(C)O1,GYZCWKINIIDWLW-UHFFFAOYSA-N
rxn:4:221735:222465,Cn1c(=O)c2c(nc(N3CCCCC3)n2Cc2cccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)n(C)c1=O,CYLRJOUGFLELSO-UHFFFAOYSA-N
rxn:4:221772:224015,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCOCC1,KVXKFWLZEYDEHZ-UHFFFAOYSA-N
rxn:4:221776:224670,CC1CN(c2ccc(-c3cc(CN4CCN(C)CC4)ccc3F)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,MNCSGXXDDRIXDN-UHFFFAOYSA-N
rxn:4:221929:224420,Cc1cc2c(cc1-c1ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc1)C(C)(C)CCC2(C)C,SPLUKWUNMUGEKI-UHFFFAOYSA-N
rxn:4:221929:226599,CCOc1c(F)cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)c(C)c1F,HZNSTLALPRWBHE-UHFFFAOYSA-N
rxn:4:221986:222506,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C(=O)NCc4cccc(F)c4)cc3Cl)cc2)CC1,FGZWMBWPRACIMN-UHFFFAOYSA-N
rxn:4:222055:222423,COc1c(-c2cccc(S(=O)(=O)N3CCN(c4ccc(-n5nc(C)cc5C)nn4)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,TWJAPUHTRSOJGK-UHFFFAOYSA-N
rxn:4:222126:223474,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(OCc4ccccc4)c(C45CC6CC(CC(C6)C4)C5)c3)cc2)CC1,VYWPRLWFAQTHEF-UHFFFAOYSA-N
rxn:4:222134:222719,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCCNC6)nc(C(F)(F)F)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,PBOKQGRBRVCAST-UHFFFAOYSA-N
rxn:4:222195:222466,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2)CC1,GMOKUCBSBPLWOF-UHFFFAOYSA-N
rxn:4:222205:222848,CCc1cc(-c2ccc(Cn3c4c(=O)n(C)c(=O)n(C)c4n4c(-c5ccc(C)cc5)nnc34)cc2)cc(C2CCCNC2)n1,VKDVQWNHDBRKCD-UHFFFAOYSA-N
rxn:4:222262:222389,O=c1c2nnn(Cc3cccc(F)c3)c2ncn1Cc1nc(-c2ccc(F)c(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)no1,AHCLNEWPJUZBAX-UHFFFAOYSA-N
rxn:4:222287:222423,COc1c(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(-n5cncn5)nn4)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OWTLCRORECLBDD-UHFFFAOYSA-N
rxn:4:222362:222467,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(NC(=O)OC(C)(C)C)c7ccccc67)cc6[nH]ncc56)nn4)cn3c2)CC1,RLCDMZRLOZOGQH-UHFFFAOYSA-N
rxn:4:222362:222519,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(F)(F)F)ccc6NC(=O)OC(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,FEBDSPILGNRZAE-UHFFFAOYSA-N
rxn:4:222363:222510,Cc1ccc(NC(=O)c2cc(F)cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2)c(Cl)c1,HHFKRSYZCRVPRE-UHFFFAOYSA-N
rxn:4:222363:227540,COc1c(F)cc(SC)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,DCBRWXSWXCHCML-UHFFFAOYSA-N
rxn:4:222387:223868,COCc1cc(OCc2ccccc2)ccc1-c1cnc(N2CCOC(Cn3nnc4ncc(-c5cnn(C)c5)nc43)C2)nc1,NNGRMTLDJIMKCC-UHFFFAOYSA-N
rxn:4:184242:222389,CC(C)OCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,XUOQMFXNPQXLLP-UHFFFAOYSA-N
rxn:4:194709:223486,Cc1cc(N(Cc2ccccc2)Cc2ccccc2)cc(C)c1-c1ccc2c(c1)N(CC1CCCCC1)C(=O)CO2,RLCGZUPTPSZTCJ-UHFFFAOYSA-N
rxn:4:199734:222423,COc1c(-c2ccc(S(=O)(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccc(C)cc3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HSISGCKJALEQAB-UHFFFAOYSA-N
rxn:4:199954:222423,COC(=O)Cn1c(=NC(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)sc2cc(S(C)(=O)=O)ccc21,GYELZPMXTUTQMZ-UHFFFAOYSA-N
rxn:4:199964:222423,CCCN1C(=O)C(=C2SC(=S)N(CCCOC)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,GUAKSGQHDTUWOQ-UHFFFAOYSA-N
rxn:4:200053:222465,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1cccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c1,WVMCFHYIBCOCOB-UHFFFAOYSA-N
rxn:4:201163:222423,CCCOc1cccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nccs2)c1,ZUBJWIYVYDWSBX-UHFFFAOYSA-N
rxn:4:202318:222423,COc1c(-c2ccc(-c3nc(S(=O)(=O)c4ccc(C)cc4)c(N4CCOCC4)o3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RUKKDWPCSAYFJD-UHFFFAOYSA-N
rxn:4:202780:222423,COc1ccc(OC)c(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nccs2)c1,VZZXLDBXJSWTSG-UHFFFAOYSA-N
rxn:4:212737:223486,Cc1cc(N(Cc2ccccc2)Cc2ccccc2)cc(C)c1-c1cc(CN2CCOCC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,CQDIFYQVRUHMOU-UHFFFAOYSA-N
rxn:4:218589:222423,COc1c(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccc(C#N)cc4)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,AECFTJAPXYYEHM-UHFFFAOYSA-N
rxn:4:219788:223570,COc1ccc2ncc3c(-c4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1,NTPBEBLOTAZARW-UHFFFAOYSA-N
rxn:4:221575:223541,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,MHUZJRZEGCMIPW-UHFFFAOYSA-N
rxn:4:221776:224011,CC1CN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,SPZLBBPZTMDONS-UHFFFAOYSA-N
rxn:4:221994:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)CC1,CFQBQYOZXJPQKI-UHFFFAOYSA-N
rxn:4:222096:222423,COc1c(-c2cnc(OCC3CCN(c4nc5cccnc5n4C)CC3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LDALFMDZRHPOPJ-UHFFFAOYSA-N
rxn:4:222134:222701,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCCNC6)cc(C(F)(F)F)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,UACGVXDEOLPKGG-UHFFFAOYSA-N
rxn:4:222144:225221,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(N3CCCC(C)C3)ncc2F)cc1,FRDXOUTZVVVFTP-UHFFFAOYSA-N
rxn:4:222202:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(-n3c(-c4cccc([N+](=O)[O-])c4)cn4c5c(=O)n(C)c(=O)n(C)c5nc34)cc2)CC1,UOOYILRJKZSTBT-UHFFFAOYSA-N
rxn:4:222362:222676,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)ccc6CNC(=O)OC(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,NBTLVPNRQPCERH-UHFFFAOYSA-N
rxn:4:222362:224605,CCN(CC)C(=O)c1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(OC)c1,DQPRASZCRINRDQ-UHFFFAOYSA-N
rxn:4:222362:224664,CN1CCN(Cc2cc(F)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,FPBHUEAKMOTSLR-UHFFFAOYSA-N
rxn:4:222363:223972,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCCCC5C)cc4C(F)(F)F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IFASISRFHZFUIR-UHFFFAOYSA-N
rxn:4:222363:224061,CCCC1CCC(c2ccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c(F)c2)CC1,JXEQRUXJTPKSSN-UHFFFAOYSA-N
rxn:4:222363:224283,Cc1cc(CN2CCN(c3c(-c4cnc(OC(C)(C)C)nc4OC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XRFZKYLKTRMWST-UHFFFAOYSA-N
rxn:4:222363:224679,Cc1cc(CN2CCN(c3c(-c4cc(Cl)cc(C(=O)N5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZQVBNMSZKVSZKE-UHFFFAOYSA-N
rxn:4:222363:225082,Cc1cc(CN2CCN(c3c(-c4cc5nc(C)n(C(C)C)c5cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ADTUMAFXSCBLGE-UHFFFAOYSA-N
rxn:4:222363:226006,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(OCC(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OVNHTRFSFJNQJF-UHFFFAOYSA-N
rxn:4:222363:226106,Cc1cc(OCC(C)C)cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1,CLFUXZOBBXEVCS-UHFFFAOYSA-N
rxn:4:222363:227456,CSc1nc2ccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)cc2s1,WAFFLKKGOSWDIH-UHFFFAOYSA-N
rxn:4:188579:226280,CC(=O)C(C#N)c1cccc(-c2ccc(C#N)c(OC(C)C)c2)c1,CVEGXRVFDFHQRY-UHFFFAOYSA-N
rxn:4:191080:222423,COC(=O)C1=CN(c2ccc(C)c(C)c2)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc2S1(=O)=O,FHLIXGVTWRHEPY-UHFFFAOYSA-N
rxn:4:197993:222423,COc1c(-c2ccc3c(c2)CN(c2c(C)cccc2C)C(=O)C(C)O3)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MKXBZOMNSRNWMX-UHFFFAOYSA-N
rxn:4:199992:222465,CCOc1cc(N2C(=NC(C)=O)SC3CS(=O)(=O)CC32)cc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c1OCC,PSZFSNHVYGQNNS-UHFFFAOYSA-N
rxn:4:201182:222439,O=C1c2oc3ccccc3c(=O)c2C(c2cccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)c2)N1CCCN1CCOCC1,MZRCZXWDOLFBHE-UHFFFAOYSA-N
rxn:4:202708:222389,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,KRUVAZUBJBWDRH-UHFFFAOYSA-N
rxn:4:202792:222423,CCOc1cccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2cc(C)on2)c1,KCQMJBVRFXMRHZ-UHFFFAOYSA-N
rxn:4:202800:222388,CC#Cc1cc2c(c(F)c1-c1cccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,NMFUBBZWXJBHKM-HHHXNRCGSA-N
rxn:4:202800:222389,CC#Cc1cc2c(c(F)c1-c1cc(C3CCNCC3)nc(C3CCNCC3)c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,XFRNGELFEUJYPP-MUUNZHRXSA-N
rxn:4:202808:222423,COc1cccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1OC,CCMHMBHSMTUMKY-UHFFFAOYSA-N
rxn:4:204905:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2cccnc2)N(Cc2ccco2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BVQSCFJIBRLUBP-UHFFFAOYSA-N
rxn:4:214388:222389,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)c(OC)cc12)CC3,MQMDWXVBLRBORU-UHFFFAOYSA-N
rxn:4:218639:222423,COc1c(-c2ccc(-n3nnc(C(=O)OCc4nc(-c5ccc(Cl)cc5)oc4C)c3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ANXAJNYYFOJUIG-UHFFFAOYSA-N
rxn:4:221277:222729,CCCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,XYWQNUJZMPMJPC-UHFFFAOYSA-N
rxn:4:221277:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(Oc4ccccc4)cc3)n(C)c2=O)cc1,PATKJRPPVKXVFW-UHFFFAOYSA-N
rxn:4:221750:223841,CC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)cc2)n(C)c1=O,BNZRBMPNWJJDQF-UHFFFAOYSA-N
rxn:4:221781:224398,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4cccc(C)c4C)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCCC1,NCQBJZFVIILFOD-UHFFFAOYSA-N
rxn:4:221929:222822,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)cc1S(=O)(=O)NC1CC1,GZFGVFNBWOPRMJ-UHFFFAOYSA-N
rxn:4:221961:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CCC(Oc5ncc(-c6cnn(C)c6)cn5)CC4)c3)c(F)cc2C)CC1,XOOJWQZFABTJSL-UHFFFAOYSA-N
rxn:4:221986:224297,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc([N+](=O)[O-])ccc3Sc3ccccc3)cc2)CC1,DPWONJFKFXOTAE-UHFFFAOYSA-N
rxn:4:221995:223762,COC(=O)c1c(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)c(C)n(Cc2ccccc2)c1C,AANKOBFRQCNJTF-UHFFFAOYSA-N
rxn:4:221995:225203,Cc1cc(C2CC2)c(C(F)(F)F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,CCDIUDBSHNUDGJ-UHFFFAOYSA-N
rxn:4:221995:225860,Cc1nccn1-c1ccc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)c(Cl)c1,LMDKIDWRINWSFE-UHFFFAOYSA-N
rxn:4:222132:222466,COc1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,BZVJGIKSPKTABX-UHFFFAOYSA-N
rxn:4:222138:223692,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(OCc3cccnc3)c(Cl)cc2C(F)(F)F)cc1,RPDXKXGAUWCMPK-UHFFFAOYSA-N
rxn:4:222143:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCCCC4)c(=O)n3C)cc2)CC1,YKGSCJTXCVWOJN-UHFFFAOYSA-N
rxn:4:222144:224988,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(C3CC3)cc2-n2ccnc2)cc1,BZMMFBUPJAQWDM-UHFFFAOYSA-N
rxn:4:222272:222423,COc1c(-c2cc(-c3noc(Cn4cnc5c(nnn5Cc5ccc(C)cc5)c4=O)n3)ccc2F)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DIWMBYDDARZNHF-UHFFFAOYSA-N
rxn:4:222362:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,BCOKKSJDNJLWEJ-UHFFFAOYSA-N
rxn:4:222362:224313,CN1CCN(C(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2Cl)CC1,UTIYGIMAOAQPLF-UHFFFAOYSA-N
rxn:4:222362:224496,CCN1CCN(Cc2cccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,MXKUVIMXJSNEQC-UHFFFAOYSA-N
rxn:4:222362:225996,CCOc1ncc(C(F)(F)F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,ONSVDLGMLATKDT-UHFFFAOYSA-N
rxn:4:222362:227540,COc1c(F)cc(SC)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,XZYNXNBYLJAAIM-UHFFFAOYSA-N
rxn:4:222363:223264,CNC(=O)c1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)ccc1F,ATSNQDODXRMCMV-UHFFFAOYSA-N
rxn:4:222363:223736,Cc1cc(CN2CCN(c3c(-c4ccc(OCc5ccccc5)c(C(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KHFRNYPRFMNJSY-UHFFFAOYSA-N
rxn:4:222363:227143,COc1ccc2cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)sc2c1,IXFBVAQZAWSXEH-UHFFFAOYSA-N
rxn:4:222363:227665,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)c(C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ULHBVDDKDGDACP-UHFFFAOYSA-N
rxn:4:222363:228649,Cc1cc(C)c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c(F)c1,AENLEQJRFIUTEP-UHFFFAOYSA-N
rxn:4:222363:229076,Cc1cc(CN2CCN(c3c(-c4sc(C#N)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AUWBPOCWKUSUNO-UHFFFAOYSA-N
rxn:4:184187:222423,COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc2S1(=O)=O,IYEBOODVLWXTII-UHFFFAOYSA-N
rxn:4:187926:222423,COC(=O)Cn1c(-c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2C)c(C)c2cc(F)ccc21,IZEJLTNWGSWPEU-UHFFFAOYSA-N
rxn:4:187951:222423,COc1c(-c2cc(C(C)C)c(S(=O)(=O)Oc3ccc(Cl)c4cccnc34)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OMZPMLDSSCJUQI-UHFFFAOYSA-N
rxn:4:201182:222423,COc1c(-c2cccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCCN3CCOCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SBSTZXAPYQXARO-UHFFFAOYSA-N
rxn:4:202779:222423,COc1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nccs2)cc1OC,KGCRUXANTHJYMK-UHFFFAOYSA-N
rxn:4:202799:222389,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,BZERRAZGZXQUGS-UHFFFAOYSA-N
rxn:4:203359:222423,COc1c(-c2cc(-c3nc(C(F)(F)F)c[nH]3)cc(C(F)(F)F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YSDKFVZKAUPPRR-UHFFFAOYSA-N
rxn:4:204956:222389,Cc1cc(N2C(=O)c3oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)no1,OSZJUJHYGIDHJX-UHFFFAOYSA-N
rxn:4:204958:222389,Cc1csc(N2C(=O)c3oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)n1,MJBLGSLCZKYOPA-UHFFFAOYSA-N
rxn:4:207888:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(F)cc2)N(c2nccs2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OSYQSZXZCJRGLE-UHFFFAOYSA-N
rxn:4:213451:222423,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc43)C(=O)N2c2ccc(CC)cc2)cc1,PHHJFIRQHWPJSH-UHFFFAOYSA-N
rxn:4:213451:222730,CCCc1cc(-c2ccc3c(c2)C(=C2SC(=Nc4ccc(CC)cc4)N(c4ccc(CC)cc4)C2=O)C(=O)N3CC)cc(C2CCNCC2)n1,ZGMJJOKIMBCZEF-UHFFFAOYSA-N
rxn:4:218724:225116,CCCCOc1c(F)c(C)cc(-c2nc3c(c(=O)n(CC(=O)OCC)c(=O)n3C)n2Cc2ccc(Cl)cc2)c1F,ZNMJEXGUJFOZLQ-UHFFFAOYSA-N
rxn:4:218747:222389,CCCCc1nc(SCc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)c2c(=O)n(C)c(=O)n(C)c2n1,UIVRITCGFWITBB-UHFFFAOYSA-N
rxn:4:219619:222423,COc1c(-c2cnc3c(c2)c(C(=O)N(C)OC)nn3C2CCCCO2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IQTUCCDICIKBJT-UHFFFAOYSA-N
rxn:4:219741:222630,Cc1ccccc1-n1c(=O)c2sccc2n(Cc2nc(-c3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc3)no2)c1=O,OGRCQMHQQAHYDW-UHFFFAOYSA-N
rxn:4:221257:223680,COC(=O)Cn1c(C)cn2c3c(=O)n(Cc4ccc(-c5cc(F)c(-c6cccc(C(F)(F)F)c6)cc5OC)cc4)c(=O)n(C)c3nc12,FFQUIAJGHUQQID-UHFFFAOYSA-N
rxn:4:221277:222538,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,MZSRLNRCOBMDMU-UHFFFAOYSA-N
rxn:4:221277:222622,CCC(C)c1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,SGGIEONTOYKEDE-UHFFFAOYSA-N
rxn:4:221277:222623,CCC(C)c1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc(C2CCNCC2)n1,FVLYJUBAHNWKNS-UHFFFAOYSA-N
rxn:4:221277:223840,COc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1,FEBQPDDTMQIBGN-UHFFFAOYSA-N
rxn:4:221277:224015,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCOCC1,XJVNUHFMHMIFFY-UHFFFAOYSA-N
rxn:4:221277:224180,CN1CCN(CCOc2ccccc2-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)CC1,RHNLVLUDUXKXRI-UHFFFAOYSA-N
rxn:4:221571:222466,Cn1c(=O)n(CC=Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1,CIVOCGUZQJXUAJ-UHFFFAOYSA-N
rxn:4:221759:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)cc2)CC1,JFTSNKJNSWHOJB-UHFFFAOYSA-N
rxn:4:221928:223845,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)ccc3OC)nnc12,GXMKOPCIFSBPKB-UHFFFAOYSA-N
rxn:4:221929:224148,Cc1ccc(OCc2cccc(F)c2)c(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)c1,JTQRKDLRKXAWQT-UHFFFAOYSA-N
rxn:4:221995:225851,Cc1nccn1-c1cc(F)cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)c1,HOCPDPSJPMEABB-UHFFFAOYSA-N
rxn:4:221995:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,OEDRSEZXMSKTER-UHFFFAOYSA-N
rxn:4:222144:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1,CRSXYAXYNQETIS-UHFFFAOYSA-N
rxn:4:222144:224600,Cc1ccc(-c2cc(F)c(-c3ccc(-n4c(C)c(C)n5c6c(=O)n(CCN7CCCCC7)c(=O)n(C)c6nc45)cc3)cc2F)cc1,CJQWABZYTDENBX-UHFFFAOYSA-N
rxn:4:222195:222473,COc1cc(C(=O)NCc2ccccc2)ccc1-c1cccc(Cn2c(N3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1,SUBSETMBTQHCKY-UHFFFAOYSA-N
rxn:4:222362:222388,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(NC(=O)Nc7ccc([N+](=O)[O-])cc7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,GGQGJUNSLDQPPR-UHFFFAOYSA-N
rxn:4:222362:224180,CN1CCN(CCOc2ccccc2-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)CC1,XNZDGYZSUWTCIX-UHFFFAOYSA-N
rxn:4:222362:224235,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(F)cc6OCc6ccccc6)cc6[nH]ncc56)nn4)cn3c2)CC1,NPLZHJJYTDZQKK-UHFFFAOYSA-N
rxn:4:222362:225888,Cc1nc2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(F)c(F)c2n1C,UZXPABAHMQOJFU-UHFFFAOYSA-N
rxn:4:222363:222507,COc1ccc(NC(=O)c2ccc(F)c(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2)cc1,GRMPUMPMKURJCL-UHFFFAOYSA-N
rxn:4:222363:223609,Cc1cc(CN2CCN(c3c(-c4cc5c(c6ccccc46)-c4ccccc4C5(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VBBGTZQRQGROFY-UHFFFAOYSA-N
rxn:4:222363:223941,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)CC(=O)N5C(=O)OC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZZJRWWWXOIRATA-UHFFFAOYSA-N
rxn:4:184240:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2F)N(CCCOC(C)C)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XGFZXJFVFOWGSQ-UHFFFAOYSA-N
rxn:4:185291:222423,COc1c(-c2ccc(C(=O)N(Cc3ccc(F)cc3)C3CCS(=O)(=O)C3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KHKQPDGFRGIKEN-UHFFFAOYSA-N
rxn:4:185639:222423,COc1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2Cc2ccco2)cc1OC,XRPCXVLMVUNQLR-UHFFFAOYSA-N
rxn:4:185641:222423,COc1ccc(CCN2C(=O)c3oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c(=O)c3C2c2ccccc2)cc1,LBLRFCIXZRUPOO-UHFFFAOYSA-N
rxn:4:193593:223039,CC(C)NC(=O)c1cc(-c2ccccc2-c2ccc(N(C)C)cc2)ccc1F,JDOXWGAGRKNIRH-UHFFFAOYSA-N
rxn:4:197965:222423,COc1c(-c2ccc3c(C4=CCC5(CC4)OCCO5)c[nH]c3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IBXYCCVFUKMVCD-UHFFFAOYSA-N
rxn:4:199821:222423,CCOc1ccc(N=C2SC(=Cc3ccc(OC)c(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)c3)C(=O)N2CC)cc1,AMRVFCUKOSHFQM-UHFFFAOYSA-N
rxn:4:200054:222465,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1,BWVDGPJUJLWMJQ-UHFFFAOYSA-N
rxn:4:202800:222462,CC#Cc1cc2c(c(F)c1-c1c(F)cc3nc(NC(=O)OC(C)(C)C)sc3c1F)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,WVMAUSBYRVRQKN-LJQANCHMSA-N
rxn:4:205721:222423,COc1c(-c2cnc(OC3COCC3(F)F)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QKZHFVIGEUPWSR-UHFFFAOYSA-N
rxn:4:212748:224579,Cc1cn(-c2ccc(C3CC3)c(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c2)cn1,PMTCHDHWQSNUDR-UHFFFAOYSA-N
rxn:4:212790:222389,COCCn1c(=NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,YMYCAOOFTGEWQE-UHFFFAOYSA-N
rxn:4:212839:224155,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CC5)cc(N5CCN(C)CC5)c4)ccn23)CC1,FPASJGMIBXKSAO-UHFFFAOYSA-N
rxn:4:212839:224588,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)cc(CN5CCC(C)CC5)c4)ccn23)CC1,UHVZUZMMSJNSTA-UHFFFAOYSA-N
rxn:4:213405:222389,Cc1sc2ncnc(SCC(=O)c3cc(C)n(-c4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4)c3C)c2c1C,ZUTJGVDWPGHUNT-UHFFFAOYSA-N
rxn:4:219189:223845,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,LOZAWHAYHDUJJQ-UHFFFAOYSA-N
rxn:4:219661:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)n1C(C)C(C)=O,GYLDMKXOHNEAFR-UHFFFAOYSA-N
rxn:4:221109:222423,COc1c(-c2ccc(C3=NN(C(=O)CSc4nncn4C)C(c4ccc(C)cc4)C3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OWDURMPOJGPMGY-UHFFFAOYSA-N
rxn:4:221266:222423,CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4)c(C)c(C)n23)n(C)c1=O,KODVJTXDENQQAH-UHFFFAOYSA-N
rxn:4:221274:222850,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCNCC3)ccc2C#N)cc1,NPKFTGCBOMHPRP-UHFFFAOYSA-N
rxn:4:221277:222742,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,YIFDFENPZVVLSX-UHFFFAOYSA-N
rxn:4:221521:222423,COc1c(-c2cnc(OCC3CCCN(c4nc(C)nc5c4CCC5)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KXJCJXCOEDMRQL-UHFFFAOYSA-N
rxn:4:221570:222465,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c1,GXFAIMHXOCYEAL-UHFFFAOYSA-N
rxn:4:221572:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)cc1,QJGUUAOILIGXBU-UHFFFAOYSA-N
rxn:4:221928:223594,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(Cl)cc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc3OC)nnc12,XFRJODQYCXLGJK-UHFFFAOYSA-N
rxn:4:222362:222520,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,RRARHYDYHZWBHQ-UHFFFAOYSA-N
rxn:4:222362:222702,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C7CCCNC7)ccc6C(F)(F)F)cc6[nH]ncc56)nn4)cn3c2)CC1,QNIMMRHPBJGVMP-UHFFFAOYSA-N
rxn:4:222362:224206,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)ccc6OCc6ccc(F)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,GUIYGQDBHDLZHI-UHFFFAOYSA-N
rxn:4:222362:224615,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(OCCN7CCOCC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,GSQAHXIUNCQEJA-UHFFFAOYSA-N
rxn:4:222362:225170,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)ccc6CN6CCOCC6)cc6[nH]ncc56)nn4)cn3c2)CC1,XCUDDJOXIBYLGI-UHFFFAOYSA-N
rxn:4:222363:223841,Cc1cc(CN2CCN(c3c(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SDMHZUPDWCGNNY-UHFFFAOYSA-N
rxn:4:222363:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,FUPOTIRZPJPXRW-UHFFFAOYSA-N
rxn:4:222363:225983,Cc1cc(CN2CCN(c3c(-c4cnn(-c5ccc(F)c(F)c5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BIAKGPXDVBCFNA-UHFFFAOYSA-N
rxn:4:222363:228242,COc1cc(F)c(C)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,MBKIEJQBNQKGTI-UHFFFAOYSA-N
rxn:4:222363:228861,Cc1cc(CN2CCN(c3c(-c4cnc5scnc5c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GGLMUNDDGLJBMT-UHFFFAOYSA-N
rxn:4:184006:222423,COc1ccc(C(=O)N(c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)C2C=CS(=O)(=O)C2)cc1OC,RPOUIZSXNNROTB-UHFFFAOYSA-N
rxn:4:184153:222423,COc1c(-c2ccccc2Oc2coc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3c2=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YOPOCKKESBGOHD-UHFFFAOYSA-N
rxn:4:184205:222423,COc1c(-c2cc(OCc3ccccc3)c3c(c2F)CCN(C(=O)OC(C)(C)C)C3)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZBTOIOPWISCSGH-UHFFFAOYSA-N
rxn:4:185588:222423,COc1c(-c2ccccc2Oc2c(C)oc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,PSXANMCAXCRVHT-UHFFFAOYSA-N
rxn:4:188017:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(SC)cc2)N(Cc2ccco2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DYTDHIYCNOFYSZ-UHFFFAOYSA-N
rxn:4:200634:222423,COc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)c(OC)cc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,IHNSJLUFCVTFCB-UHFFFAOYSA-N
rxn:4:201184:222389,O=C1c2oc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3c(=O)c2C(c2ccccc2)N1CCCN1CCOCC1,ZOFPKBYLKHERDB-UHFFFAOYSA-N
rxn:4:201184:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4oc5c(c(=O)c4c3)C(c3ccccc3)N(CCCN3CCOCC3)C5=O)c(F)ncc21,TUDTXELWQLPIRD-UHFFFAOYSA-N
rxn:4:204735:222423,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)c3ccccc23)CC1,GMZFACIMVIXOMT-UHFFFAOYSA-N
rxn:4:204957:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(C)C)cc2)N(c2cccc(C)n2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,UCECFVCXKZWKJI-UHFFFAOYSA-N
rxn:4:207851:222423,COc1c(-c2ccc(N3C(=O)N(c4cccc(C)c4)C4CS(=O)(=O)CC43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KHTTWTJVEVWDSY-UHFFFAOYSA-N
rxn:4:214388:222538,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)c(OC)cc12)CC3,NCNRAWMZZXZIOZ-UHFFFAOYSA-N
rxn:4:219708:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3cc(C)ccc3C)c(=O)n2C)n1CC(C)=O,PIMPARHTWUMHMD-UHFFFAOYSA-N
rxn:4:221188:226032,COc1cc(-c2cnc(OCC3CCCN(c4ccnc(C(C)C)n4)C3)nc2)c(F)c(C(F)(F)F)c1,XYYDYXWSBLSOHH-UHFFFAOYSA-N
rxn:4:221565:223845,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4)c(=O)n(C)c3nc2n1Cc1ccco1,UXPXMCNFZHEFPZ-UHFFFAOYSA-N
rxn:4:221747:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCN4c3ccc(F)cc3)n(C)c2=O)cc1,WUFDDHNRMYLYNT-UHFFFAOYSA-N
rxn:4:221754:222462,Cc1cccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)cc3)c(=O)n2C)c1,XHHAZOKOQLLYMD-UHFFFAOYSA-N
rxn:4:221784:223845,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)n(C)c2=O)c1,OGSDJUYYYJMXSG-UHFFFAOYSA-N
rxn:4:221910:222423,COc1c(-c2ccc(-c3nc(/N=C/N(C)C)c(C#N)c(C#N)c3C#N)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YDQXIUPWEFJVMZ-ZLNXIQNYSA-N
rxn:4:221928:223534,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(OC5CCN(C(=O)OC(C)(C)C)CC5)ncc4F)ccc3OC)nnc12,RVCOASBIXUQZLW-UHFFFAOYSA-N
rxn:4:221929:223720,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(OCc6ccccc6)cc6ccccc56)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,UPQRIBSFWFAMPZ-UHFFFAOYSA-N
rxn:4:221994:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,ATNVWUWXLSONRU-UHFFFAOYSA-N
rxn:4:221995:224822,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(-c6cncs6)cc(C(F)(F)F)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,YMSKBMVGWXCQLG-UHFFFAOYSA-N
rxn:4:222134:222985,COc1ccc(-c2nnc3n(Cc4ccc(-c5ccc(C6CCCNC6)nc5C)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,DYZVUEQUFRGMRJ-UHFFFAOYSA-N
rxn:4:222137:224234,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3ccccc3)c(F)cc2F)cc1,SDJASIPTTXRWKG-UHFFFAOYSA-N
rxn:4:222205:223474,Cc1ccc(-c2nnc3n(Cc4ccc(-c5ccc(OCc6ccccc6)c(C67CC8CC(CC(C8)C6)C7)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,QWRSQTVWTBOMLG-UHFFFAOYSA-N
rxn:4:222205:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4c5c(=O)n(C)c(=O)n(C)c5n5c(-c6ccc(C)cc6)nnc45)cc3)c(F)cc2C)CC1,WUNLKFALONKYDU-UHFFFAOYSA-N
rxn:4:222362:222521,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,NTFBSVJMZFTCOE-UHFFFAOYSA-N
rxn:4:222362:224036,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(-c7ccc(C(C)(C)C)cc7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,BCCMNDYXMPGKLM-UHFFFAOYSA-N
rxn:4:222362:224292,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc1S(=O)(=O)OCC(C)(C)C,KGXRAOTUCDAXTQ-UHFFFAOYSA-N
rxn:4:222362:224651,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6c(F)cccc6O[Si](C)(C)C(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,BFHWRHJDNCPOAB-UHFFFAOYSA-N
rxn:4:222363:224139,Cc1cc(CN2CCN(c3c(-c4ccc(OCc5cccc(Cl)c5)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VBZIKEKQYBTORX-UHFFFAOYSA-N
rxn:4:222363:224217,Cc1cc(CN2CCN(c3c(-c4ccc(OCc5ccccc5)c(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AUTSEFVGPAOSCG-UHFFFAOYSA-N
rxn:4:222363:224655,Cc1cc(CN2CCN(c3c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AOCCCPKPLBUIIE-UHFFFAOYSA-N
rxn:4:222363:224708,Cc1cc(CN2CCN(c3c(-c4ccc5cc(OC(F)(F)F)ccc5c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KGQWFULUYAHQHF-UHFFFAOYSA-N
rxn:4:222363:225199,Cc1cc(CN2CCN(c3c(-c4cc(F)c(OC5CCCC5)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,STEZKFNSGSJTFQ-UHFFFAOYSA-N
rxn:4:183918:222423,COc1ccc(COc2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2S(=O)(=O)N(C)C)cc1,AIBPMYLJLZACDZ-UHFFFAOYSA-N
rxn:4:184143:222423,CCCOc1cc(S(=O)(=O)Oc2cccc3cccnc23)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,PCRPODWTNZCARJ-UHFFFAOYSA-N
rxn:4:185263:222423,COc1cc(N2CCC(C(OC)OC)CC2)cc(F)c1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,QARVNZZUJKUNHX-UHFFFAOYSA-N
rxn:4:190584:222423,CCOC(=O)c1cc2c(Cl)cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2[nH]1,XDFQZXIUKYULGD-UHFFFAOYSA-N
rxn:4:199980:222423,CCOC(=O)Cn1c(=NC(=O)C2CCCCC2)sc2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,JMFFTJUEMGEPBR-UHFFFAOYSA-N
rxn:4:200025:222423,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,KACMRWJDJJPLPQ-UHFFFAOYSA-N
rxn:4:200065:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)OCCN4C(=O)c5cccc6c(N7CCCCC7)ccc(c56)C4=O)cc3)c(F)ncc21,HCRSTSINMXUOQL-UHFFFAOYSA-N
rxn:4:201123:222423,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,CHVIKAPMTRQAPG-UHFFFAOYSA-N
rxn:4:201189:223503,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1,MBXVQMKGZXJBGD-UHFFFAOYSA-N
rxn:4:202068:222423,COc1cc(S(=O)(=O)N2CCN(C)CC2)c(OC)cc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,CDLNCLMSVRXDNU-UHFFFAOYSA-N
rxn:4:202277:222423,COc1c(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QXZCJNPVSCXXBV-UHFFFAOYSA-N
rxn:4:204875:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccc([N+](=O)[O-])cc6)C(=O)C45)cc3)c(F)ncc21,OZOSDXHVGIORPZ-UHFFFAOYSA-N
rxn:4:212790:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc3c(c2)sc(=NC(=O)c2cc4cc([N+](=O)[O-])ccc4s2)n3CCOC)CC1,FOCDPYOKXDUIMU-UHFFFAOYSA-N
rxn:4:218728:222423,COc1c(-c2ccc3nc(N(CCN(C)C)C(=O)c4ccc5ncsc5c4)sc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YIDCPQJLVFFZGJ-UHFFFAOYSA-N
rxn:4:219189:222461,COc1ccc(-c2c(F)cc(F)c3sc(NC(=O)OC(C)(C)C)nc23)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,UUDFOCMOQLVGFP-UHFFFAOYSA-N
rxn:4:219189:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(OC)c(-c3nc(Cn4ccn5nc(-c6ccc(C)c(C)c6)cc5c4=O)c(C)o3)c2)CC1,RRJNJAHSZZNROB-UHFFFAOYSA-N
rxn:4:220558:222423,COc1c(-c2cc3c(s2)-n2c(nnc2C2CCCCC2)CN=C3c2ccccc2Cl)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DSBFGTHSSCXODO-UHFFFAOYSA-N
rxn:4:221570:223845,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)c1,HPZRVRPSMVVGBO-UHFFFAOYSA-N
rxn:4:221776:222524,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,CCFUHDSPGUOMOB-UHFFFAOYSA-N
rxn:4:221928:223523,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(S(=O)(=O)N5CCN(CC)CC5)c5ccccc45)ccc3OC)nnc12,HWBNFWUTTPCLML-UHFFFAOYSA-N
rxn:4:221990:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(OC)c(-c4nnc5n(CCC(C)C)c6c(=O)n(C)c(=O)n(C)c6n45)c3)c3ccccc23)CC1,HXVPSYOEKUOYPI-UHFFFAOYSA-N
rxn:4:221995:222452,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(F)c(F)c(NC(=O)OCc6ccccc6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,FSYSSZSAUXQHLY-UHFFFAOYSA-N
rxn:4:221995:223866,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccccc5CN5C(C)(C)CCCC5(C)C)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,OTWMLKDHFPCJFM-UHFFFAOYSA-N
rxn:4:222135:223994,COc1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,OPVVCCQRNTZNOT-UHFFFAOYSA-N
rxn:4:222137:222423,COc1c(-c2ccc(-n3c(C)cn4c5c(=O)n(CCN6CCOCC6)c(=O)n(C)c5nc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YZNGPLPBYKFEKA-UHFFFAOYSA-N
rxn:4:222144:223692,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3cccnc3)c(Cl)cc2C(F)(F)F)cc1,MAVYEQCJXLKHRY-UHFFFAOYSA-N
rxn:4:222144:225588,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccccc2CN2CCSCC2)cc1,SCJAAHPLXJUKLX-UHFFFAOYSA-N
rxn:4:222250:224398,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n(CCCn6ccnc6)c(C)cn45)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCCC1,GJNUOOAIZPFTCN-UHFFFAOYSA-N
rxn:4:222272:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(-c2noc(Cn3cnc4c(nnn4Cc4ccc(C)cc4)c3=O)n2)ccc1F,WAIMGLAPYMAHLT-UHFFFAOYSA-N
rxn:4:222305:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5ccc(Cl)cc5)CC4)o3)c(F)ncc21,MLEQKMGYGHHXEL-UHFFFAOYSA-N
rxn:4:222362:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,FYXMYZLYDQHMFM-UHFFFAOYSA-N
rxn:4:222362:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,VDMYEPBKKLZHMM-UHFFFAOYSA-N
rxn:4:222362:228312,COc1cnc(C#N)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,HYOGMUMDICCNRB-UHFFFAOYSA-N
rxn:4:222363:222459,Cc1cc(CN2CCN(c3c(-c4cc(C(=O)Nc5ccc([N+](=O)[O-])cc5)ccc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WTTMNRVBKVYSTF-UHFFFAOYSA-N
rxn:4:222363:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1,GFPCIGQUPFCLPX-UHFFFAOYSA-N
rxn:4:222363:222848,CCc1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc(C2CCCNC2)n1,IMBOGMMSYKWICA-UHFFFAOYSA-N
rxn:4:222363:223544,Cc1cc(CN2CCN(c3c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DTXXQXZVAUBORO-UHFFFAOYSA-N
rxn:4:222363:226134,Cc1cc(CN2CCN(c3c(-c4cc(C#N)cc(C5CC5)c4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZYZAJQFIQLCACV-UHFFFAOYSA-N
rxn:5:181854:227393:227611,CC(C)(C)c1ccc(-c2ccnn2C2CCCCO2)c(-c2ncc(-c3ccccc3)s2)c1,NXYSZULRQHLYNU-UHFFFAOYSA-N
rxn:4:183955:222423,COc1c(-c2ccc(S(=O)(=O)c3nc(-c4ccco4)oc3SCc3ccccc3F)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RVOWFYVTALARCE-UHFFFAOYSA-N
rxn:4:184182:222423,COc1ccc(CCC(=O)N2C3CCC2CC(SC)C3)cc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,RMAKCVMTFBLWBX-UHFFFAOYSA-N
rxn:4:184217:222423,COc1cccc(CN(C(=O)c2oc3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3c2C)C2CCS(=O)(=O)C2)c1,MPEWFFCRCWJZLR-UHFFFAOYSA-N
rxn:4:185563:222423,COc1c(-c2ccccc2Oc2coc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IRVHRPGMPGKVJN-UHFFFAOYSA-N
rxn:4:199868:223570,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)=NC23CCCC3)cc(OC)c1OC,QIINIEGOAYZJCT-UHFFFAOYSA-N
rxn:4:200054:223491,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)cc1,FAKYAVOGNBSOBZ-UHFFFAOYSA-N
rxn:4:200835:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(OCc4ccc(Cl)cc4)c(C=C4SC(N5CCOCC5)=NC4=O)c3)c(F)ncc21,GRNQFNFJWIXUQH-UHFFFAOYSA-N
rxn:4:202804:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4c5c(oc6ccccc6c5=O)C(=O)N4CCN4CCOCC4)cc3)c(F)ncc21,MIQGPHVVZMYPGP-UHFFFAOYSA-N
rxn:4:204930:223570,CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)nc1C,ODRFGPIBFMQDHI-UHFFFAOYSA-N
rxn:4:212751:224574,Cc1cnn(-c2ccc(C3CC3)c(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c2)c1,FAKJHDLFERIXBG-UHFFFAOYSA-N
rxn:4:217139:222423,COc1c(-c2cnc(N3CCC(F)(F)C3)c(C)n2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VTPFBKIJDPIODA-UHFFFAOYSA-N
rxn:4:219129:222423,COc1c(-c2cnc(OCC3CCCN(Cc4nc5c(s4)CCC5)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RZMYOTPNNKSMIU-UHFFFAOYSA-N
rxn:4:219189:222486,COc1ccc(-c2cncc(-c3cncc(C4CCCCN4)c3)c2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,HOPMVCBIUGJKNU-UHFFFAOYSA-N
rxn:4:219189:222524,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,QNWNITULDVASJD-UHFFFAOYSA-N
rxn:4:219189:223992,COc1ccc(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,OHILHWJDSPXMJN-UHFFFAOYSA-N
rxn:4:219791:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(-n4c(SCc5nc6ccccc6[nH]5)nc5sc6c(c5c4=O)CCCC6)cc3)c(F)ncc21,HRTJMLVEOALUGP-UHFFFAOYSA-N
rxn:4:221273:222621,CC(C)Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5CCc4ccccc4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,FJCNOJRIJRBATB-UHFFFAOYSA-N
rxn:4:221277:222465,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,SDHSPCVIJLNODL-UHFFFAOYSA-N
rxn:4:221277:224016,CN(C)S(=O)(=O)n1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)c(-c2ccccn2)n1,QLOLBUFMYYPKIG-UHFFFAOYSA-N
rxn:4:221491:222423,COc1c(-c2cnc(N3CC4CCCC4(COc4ncc(F)cn4)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ISGJCKNMPVGKPO-UHFFFAOYSA-N
rxn:4:221539:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(Cn4c(CN5CC(C)OC(C)C5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c2)CC1,SGRBUWDWGZIORT-UHFFFAOYSA-N
rxn:4:221570:222741,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c1,JDQNUPPDKXHVNE-UHFFFAOYSA-N
rxn:4:221758:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)CC1,XYOUSGQYGSUTJQ-UHFFFAOYSA-N
rxn:4:221758:224670,CN1CCN(Cc2ccc(F)c(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5ccccc5Cl)c(=O)n4C)cc3)c2)CC1,XVTNHBICILYROG-UHFFFAOYSA-N
rxn:4:221786:222612,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cc3)c(=O)n2C)cc1C,RPOSDSRKLYZSIM-UHFFFAOYSA-N
rxn:4:222144:225542,CCCCCc1ccc(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)c(F)c1F,MSJVYTXRKOAZQV-UHFFFAOYSA-N
rxn:4:222362:222509,Cc1ccc(Cl)cc1NC(=O)c1cc(F)cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,XCOIFCGCYHCMMF-UHFFFAOYSA-N
rxn:4:222362:223815,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(Cl)c(CN7CCC8(CC7)OCCO8)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,BVATVZOYHSMJKD-UHFFFAOYSA-N
rxn:4:222362:224359,CCN(CC)C(=O)c1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc([N+](=O)[O-])c1,XNLKVMMMCCKGSY-UHFFFAOYSA-N
rxn:4:222362:224572,CC1CCCN(c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(C#N)c2)C1,KTTCYRLIKYBCAD-UHFFFAOYSA-N
rxn:4:222362:225994,CCSc1ncc(C(F)(F)F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,AYWRVXONRINBIU-UHFFFAOYSA-N
rxn:4:222363:222623,CCC(C)c1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc(C2CCNCC2)n1,PVWXCYZAAXCMSM-UHFFFAOYSA-N
rxn:4:222363:228636,Cc1cc(CN2CCN(c3c(-c4c(C)cc(F)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IUJCLSDKXARPBN-UHFFFAOYSA-N
rxn:5:198495:226333:223008,O=C1C=c2c(-c3cc(C4CCNCC4)ccc3F)cc(-c3cccc(C(=O)N4CCC4)c3)cc2=N1,OCWBIDPPHVZKHC-UHFFFAOYSA-N
rxn:4:184155:222423,CCCOc1cc(S(=O)(=O)Oc2cccc3ccc(C)nc23)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,IACHQCORIJEAJT-UHFFFAOYSA-N
rxn:4:185601:222423,COc1c(-c2ccc3c(C)c(C(=O)N(Cc4ccccc4F)C4CCS(=O)(=O)C4)oc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YIHRTJHRWZJNFC-UHFFFAOYSA-N
rxn:4:185918:222423,COC(=O)c1cc(C#N)c(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1C(F)(F)F,PRQNEASPAWGVJS-UHFFFAOYSA-N
rxn:4:188005:223570,COc1ccc(CN2C(=O)C3C(c4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,WEFSJNGFCSWHEM-UHFFFAOYSA-N
rxn:4:188024:222389,CC(C)c1ccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2Cc2ccco2)cc1,LEGCEZWJXVEPQD-UHFFFAOYSA-N
rxn:4:194792:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccc(Cl)cc6)C(=O)C45)cc3)c(F)ncc21,XSRMTMYGZMVOHK-UHFFFAOYSA-N
rxn:4:200029:222423,COc1c(-c2ccc(Cn3cc(SCC(=O)N4CCC(C)CC4)c4ccccc43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JKXRBNZGMPIWBW-UHFFFAOYSA-N
rxn:4:201183:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4c5c(oc6ccccc6c5=O)C(=O)N4CCCN4CCOCC4)cc3)c(F)ncc21,CSWDFRNCIFNVCR-UHFFFAOYSA-N
rxn:4:201186:223529,CCCOc1ccc(C2c3c(oc4ccc(-c5ccc(CN6CCN(C(=O)OC(C)(C)C)CC6)c(F)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,SRTKCEZVAITPMZ-UHFFFAOYSA-N
rxn:4:201186:223570,CCCOc1ccc(C2c3c(oc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,NOJNNBFPJPWQMD-UHFFFAOYSA-N
rxn:4:202289:222423,COc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)c(C(=O)N2CCCN(C3CCSC3)CC2)c1,NBTWYPWMOHLINR-UHFFFAOYSA-N
rxn:4:202481:222423,CCOC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cn12,YLEQKSBUTPSHOY-UHFFFAOYSA-N
rxn:4:202716:223570,COc1cc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc2cc(C(=O)N3CCN(c4ccccc4)CC3)c(=O)oc12,WFUDXDUYJWQYHJ-UHFFFAOYSA-N
rxn:4:202808:222465,COc1cccc(C2c3c(oc4ccc(-c5cc(C6CCCCC6)nc(C6CCCNC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1OC,BGUBXZRCPIGBSO-UHFFFAOYSA-N
rxn:4:204840:222423,COc1c(-c2ccc(N3C(=O)CSC34C(=O)N(Cc3ccc(F)cc3)c3ccccc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OLZOUTTWYDBRAA-UHFFFAOYSA-N
rxn:4:204907:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccncc2)N(Cc2ccco2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,AZLRJLDCPYDFOD-UHFFFAOYSA-N
rxn:4:206411:222423,COc1c(-c2ccc(C3(C#N)CCOCC3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HDHJRAABRHLRTG-UHFFFAOYSA-N
rxn:4:218774:223827,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cc(C(F)(F)F)ccc6N6CCN(CC)CC6)ccc5OC)oc4C)ccn3n2)cc1,DAHBGKWGOUSPLF-UHFFFAOYSA-N
rxn:4:218786:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1cccc2c3c([nH]c12)CCN(C(=O)CCC(=O)N1CCN(S(C)(=O)=O)CC1)C3,TZNHAVZVDITECM-UHFFFAOYSA-N
rxn:4:219189:224198,CCN1CCN(Cc2ccc(-c3ccc(OC)c(-c4nc(Cn5ccn6nc(-c7ccc(C)c(C)c7)cc6c5=O)c(C)o4)c3)c(F)c2)CC1,SIWJWJJPNYCDOC-UHFFFAOYSA-N
rxn:4:219189:224950,COc1ccc(-c2ccc(OC)c(-c3nc(Cn4ccn5nc(-c6ccc(C)c(C)c6)cc5c4=O)c(C)o3)c2)c(CN2CCCC2)c1,DZSGWZCMUQIJBC-UHFFFAOYSA-N
rxn:4:221258:222423,CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4)c(C)cn23)n(C)c1=O,NDRIOSVWOINYDL-UHFFFAOYSA-N
rxn:4:221538:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(Cn3c(CN4CCCCC4C)nc4c3c(=O)n(C)c(=O)n4C)cc2)CC1,SBPJBYRNSDMSGJ-UHFFFAOYSA-N
rxn:4:221570:222466,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c1,UZNHNAASWSNHEN-UHFFFAOYSA-N
rxn:4:221756:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccccc4)n(C)c3=O)cc2)CC1,DKMDLYQSARGKRR-UHFFFAOYSA-N
rxn:4:221928:224670,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(CN5CCN(C)CC5)ccc4F)ccc3OC)nnc12,QKPMXJHPUCIDNY-UHFFFAOYSA-N
rxn:4:221986:222429,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(CNC(=O)c4ccc(F)cc4C(F)(F)F)cc3)cc2)CC1,DLEIGDHYHHYOEM-UHFFFAOYSA-N
rxn:4:222094:222423,COc1c(-c2cnc(OCC3CCCN(c4nc5cccnc5n4C)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ISGSCKUROGNSPW-UHFFFAOYSA-N
rxn:4:222134:222705,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCNCC6)cc(C(F)(F)F)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,NKOCTVJNSBTCIF-UHFFFAOYSA-N
rxn:4:222144:225266,CCCOc1ccc(C(F)(F)F)cc1-c1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1,GDQNLVMGKOOXEH-UHFFFAOYSA-N
rxn:4:222188:222423,CCc1ncnc(N2CC3CN(c4ncc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cn4)CC3C2)c1F,HYLJBAOOHQSISW-UHFFFAOYSA-N
rxn:4:222205:223840,COc1ccc(-c2ccc(Cn3c4c(=O)n(C)c(=O)n(C)c4n4c(-c5ccc(C)cc5)nnc34)cc2)cc1S(=O)(=O)N1CCN(C)CC1,OXZUTDXGTFGOBC-UHFFFAOYSA-N
rxn:4:222362:222505,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)cc(C(=O)NCc7cccc(F)c7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,RXSGMCLPKQWZIH-UHFFFAOYSA-N
rxn:4:222362:222680,COc1c(NC(=O)OC(C)(C)C)cccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,XPXKMEMXTJUSRM-UHFFFAOYSA-N
rxn:4:222362:223583,COC(=O)c1ccc2c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cn(C(=O)OC(C)(C)C)c2c1,IHRVNIUHQBWBOG-UHFFFAOYSA-N
rxn:4:222362:224134,Cc1cc(OCc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)ccc1Cl,WTUCIASVPQVZEN-UHFFFAOYSA-N
rxn:4:222362:225321,CCOC(=O)c1cnn2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cnc12,HZKCFMQFLDUMGM-UHFFFAOYSA-N
rxn:4:222363:223635,Cc1cc(CN2CCN(c3c(-c4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RHAQMQWXMIHWIV-UHFFFAOYSA-N
rxn:5:188411:226964:227185,CCOC(=O)c1ncc(-c2ccc3cc(F)ccc3c2)cc1-c1ccc2c(c1)N(C)CCO2,UFJIEYXSZROCLQ-UHFFFAOYSA-N
rxn:4:184157:222423,CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)coc2c1,YJTJNUDUSROVLK-UHFFFAOYSA-N
rxn:4:184407:222423,COC(=O)Cc1cc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)c(C#N)cc1C(F)F,LHBDNDVTHXFLIG-UHFFFAOYSA-N
rxn:4:191136:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6cccc(C(F)(F)F)c6)C(=O)C45)cc3)c(F)ncc21,ZXSRLSVILRCXER-UHFFFAOYSA-N
rxn:4:194794:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccc(F)cc6)C(=O)C45)cc3)c(F)ncc21,ARYIOEFJEICMCX-UHFFFAOYSA-N
rxn:4:199929:222389,CCn1c(=NC(=O)CCOc2ccccc2)sc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,RLNDFBLBMZRWBH-UHFFFAOYSA-N
rxn:4:200257:228680,CCCn1nc(C)cc1-c1cc([N+](=O)[O-])c(OC)cc1N(CC)CC,GFTSQPFQTAWENJ-UHFFFAOYSA-N
rxn:4:201107:223570,COC(=O)CN1C(c2ccccc2Cl)=Nc2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2C1c1ccccc1,PJJNVNWYZYPDPF-UHFFFAOYSA-N
rxn:4:201147:222423,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,WVDGETNAXHRSLZ-UHFFFAOYSA-N
rxn:4:201180:223596,Cc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(-c3ccc(Cl)cc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCCC4)cc1,HIJDHXCTJAJZDQ-UHFFFAOYSA-N
rxn:4:201184:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2)N(CCCN2CCOCC2)C4=O)CC1,KVKVIFDPQMZHHB-UHFFFAOYSA-N
rxn:4:201184:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc4oc5c(c(=O)c4c3)C(c3ccccc3)N(CCCN3CCOCC3)C5=O)cnc21,FJMQZMUJDGLQKC-UHFFFAOYSA-N
rxn:4:201186:223557,CCCOc1ccc(C2c3c(oc4ccc(-c5c(F)ccc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,TUUOJOOIROCNTH-UHFFFAOYSA-N
rxn:4:201665:222423,CCOc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1S(=O)(=O)n1cnc(C)c1,RKWLDBHKLVPMBY-UHFFFAOYSA-N
rxn:4:202800:222600,CC#Cc1cc2c(c(F)c1-c1ccc3nc(NC(=O)OC(C)(C)C)sc3c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,PHYDBHKEXGVKRX-JOCHJYFZSA-N
rxn:4:204916:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccncc2)N(Cc2ccccc2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JHPPVTAYTZFCRZ-UHFFFAOYSA-N
rxn:4:204951:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(C)C)cc2)N(c2cc(C)on2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YUNSNZGPZMRLFE-UHFFFAOYSA-N
rxn:4:215283:223570,Cc1cccc(N2C(=O)c3oc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4c(=O)c3C2c2ccc([N+](=O)[O-])cc2)n1,YEJZDWMQACTWSE-UHFFFAOYSA-N
rxn:4:218774:222524,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cc(F)c(F)cc6S(=O)(=O)N6CCC(O)CC6)ccc5OC)oc4C)ccn3n2)cc1,HQVLARHWHVJFBM-UHFFFAOYSA-N
rxn:4:218785:223694,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)c(C)cc3F)cc1-2,QAZLXFVYJXYJAC-UHFFFAOYSA-N
rxn:4:219183:223845,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(Cn2ccn3nc(-c4ccccc4)cc3c2=O)c(C)o1,BADSFADQKMJZEI-UHFFFAOYSA-N
rxn:4:221269:223680,CCOC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)c(-c4cccc(C(F)(F)F)c4)cc3OC)cc2)n(C)c1=O,FCWOVCJDEXKOMN-UHFFFAOYSA-N
rxn:4:221539:223570,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)CC(C)O1,YJRVMEKNYCLIQN-UHFFFAOYSA-N
rxn:4:221758:222423,COc1c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HCOORJYIFMUTTD-UHFFFAOYSA-N
rxn:4:221774:223845,Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)n(C)c1=O,QMNZHLPPQUBXML-UHFFFAOYSA-N
rxn:4:221781:224016,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cn(S(=O)(=O)N(C)C)nc4-c4ccccn4)cc3)c(=O)n2C)c1C,NIJRBCFLXJNWLF-UHFFFAOYSA-N
rxn:4:221929:223480,Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LKZOAGCFZPZBOO-UHFFFAOYSA-N
rxn:4:221929:223657,Cc1ccc(S(=O)(=O)n2cc(-c3ccc(Cn4c(=O)c5c(nc6n(CCCN7CCOCC7)c(C)cn56)n(C)c4=O)cc3)c3cnccc32)cc1,KTAJXOKTDVRFNX-UHFFFAOYSA-N
rxn:4:221987:223557,COCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4c(F)ccc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)ccc3OC)nnc12,RTOKVCCXSODRMZ-UHFFFAOYSA-N
rxn:4:221988:223530,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(F)ccc4CN4CCN(C(=O)OC(C)(C)C)CC4)ccc3OC)nnc12,GJCWOUBOLCDGEZ-UHFFFAOYSA-N
rxn:4:221995:224304,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5c(F)ccc(O[Si](C)(C)C(C)(C)C)c5Cl)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,CWSOUAWRWWPSDN-UHFFFAOYSA-N
rxn:4:222126:223510,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2)CC1,HJQJUWDYJWSFSD-UHFFFAOYSA-N
rxn:4:222278:222423,COc1c(-c2ccc(C(=O)N3CCN(c4ncnc5c4nnn5Cc4ccccc4)CC3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DXMVXUHZJUCYSR-UHFFFAOYSA-N
rxn:4:222362:223707,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,DNESUUKLVRVPAT-UHFFFAOYSA-N
rxn:4:222362:224127,CCN1CCN(C(C)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)CC1,BLXYXRFRTYTLGL-UHFFFAOYSA-N
rxn:4:222363:228316,CCOc1ncc(Cl)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,YKRSXANHDPETNI-UHFFFAOYSA-N
rxn:4:185602:222423,COc1c(-c2ccc3c(C)c(C(=O)N(Cc4cccc(F)c4)C4CCS(=O)(=O)C4)oc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OWHDKIAYOXJKET-UHFFFAOYSA-N
rxn:4:200050:223570,COC(=O)CSc1nc(-c2ccccc2)nc2c1Cc1cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc(OC)c1O2,KFTJPDOJNIKHGX-UHFFFAOYSA-N
rxn:4:201186:223532,CCCOc1ccc(C2c3c(oc4ccc(-c5cc(F)cc(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,MMYNHIQOKJQKMK-UHFFFAOYSA-N
rxn:4:212741:223754,CC1CCN(CCCOc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)C(C)C4)c(N4CCCC4)c3)cc2Cl)CC1,IAOTZHQFAFIIIE-UHFFFAOYSA-N
rxn:4:213451:223841,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)c(C)cc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,ZMMMQIDENQVOOQ-UHFFFAOYSA-N
rxn:4:213451:224196,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(F)cc(CN6CCN(CC)CC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,DHYAFSVGHCKNQF-UHFFFAOYSA-N
rxn:4:214338:223570,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4c(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cccc43)C2=O)cc1,HLWDTHNOUCMBBD-UHFFFAOYSA-N
rxn:4:214388:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cc4c(cc3OC)c(C(=O)N3CCc5[nH]c6ccc(OC)cc6c5C3)c(C)n4C)c(F)cc2C)CC1,XTVPUSPBBDSLHB-UHFFFAOYSA-N
rxn:4:219701:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccc(Cl)cc1,XFYIJXWDUUWPRT-UHFFFAOYSA-N
rxn:4:221275:222846,CC1CN(c2ccc(-c3cc(C4CCCNC4)ccc3C#N)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,UOYDZWIPSYTRKF-UHFFFAOYSA-N
rxn:4:221275:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CC(C)Cn5c4nc4c5c(=O)n(CCCc5ccccc5)c(=O)n4C)cc3)c(F)cc2C)CC1,WYXNCDJLYMALMM-UHFFFAOYSA-N
rxn:4:221277:223841,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1,SCDBWWNJQBYGIJ-UHFFFAOYSA-N
rxn:4:221539:222517,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(F)c(C(=O)Nc4ccc(F)c(Cl)c4)c3)cc2)CC(C)O1,WDAQBPPRBRNFCB-UHFFFAOYSA-N
rxn:4:221539:224668,CCN1CCN(c2cc(F)cc(-c3ccc(Cn4c(CN5CC(C)OC(C)C5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c2)CC1,VPSQSJQZHXFOBU-UHFFFAOYSA-N
rxn:4:221565:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n(Cc7ccco7)c(C)c(C)n56)n(C)c4=O)cc3)c(F)cc2C)CC1,BKZYMGBVWOEFMD-UHFFFAOYSA-N
rxn:4:221570:222389,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c1,WCNHQHDVUBNGQE-UHFFFAOYSA-N
rxn:4:221570:222628,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c1,ITHSFAVECACWFP-UHFFFAOYSA-N
rxn:4:221571:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CC=Cc4ccccc4)c(=O)n3C)cc2)CC1,BTJXDZNYFKJQCT-UHFFFAOYSA-N
rxn:4:221758:223818,Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c1nc1n2CCCN1c1ccc(-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)cc1,QQKOJNKIOUSOHO-UHFFFAOYSA-N
rxn:4:221777:222628,CC1CN(c2ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,GRWUJZMTYADNBJ-UHFFFAOYSA-N
rxn:4:221786:224016,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cn(S(=O)(=O)N(C)C)nc4-c4ccccn4)cc3)c(=O)n2C)cc1C,BHXKBHHYGDFZKO-UHFFFAOYSA-N
rxn:4:221787:224016,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cn(S(=O)(=O)N(C)C)nc4-c4ccccn4)cc3)c(=O)n2C)c1,WZGIMRRQLBYZMV-UHFFFAOYSA-N
rxn:4:221988:223529,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)ccc3OC)nnc12,ZUIRHRZTCVMVEG-UHFFFAOYSA-N
rxn:4:221990:222524,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,KNRJWEULYNASSP-UHFFFAOYSA-N
rxn:4:221994:223605,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(Oc6ccc(C(F)(F)F)cc6[N+](=O)[O-])cc5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,DJEFNODRVHFGPC-UHFFFAOYSA-N
rxn:4:221995:223617,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,QMCOOHIEFMIMLM-UHFFFAOYSA-N
rxn:4:221995:224281,COc1cc(OC)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)c(C)n56)n(C)c4=O)cc3)c(OC)nc2c1,ASENPTDVTWXVHT-UHFFFAOYSA-N
rxn:4:221995:225870,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(F)cc(N6CCOCC6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,LVOASXTWSYXZRI-UHFFFAOYSA-N
rxn:4:222134:223503,COc1ccc(-c2nnc3n(Cc4ccc(-c5c(F)cc(OC6CCN(C(=O)OC(C)(C)C)CC6)cc5F)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,GAMAAZIWAPAVFX-UHFFFAOYSA-N
rxn:4:222362:222655,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C(=O)NC7CCCCC7)c(Cl)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,NTPHSVQXJMMSML-UHFFFAOYSA-N
rxn:4:222362:223501,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c(Cl)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,UPTSQEZZORUVNW-UHFFFAOYSA-N
rxn:4:222362:225356,CCOc1ccc(C(F)(F)F)c(F)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,RFPPJXSNGOVQBZ-UHFFFAOYSA-N
rxn:4:222362:228239,COc1nc(C)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1C,YKNHAKJIPWVRMI-UHFFFAOYSA-N
rxn:4:222363:223682,Cc1cc(CN2CCN(c3c(-c4c(C(F)(F)F)ccc5c4cnn5C4CCCCO4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QEPRRNMWWQLGAO-UHFFFAOYSA-N
rxn:4:222363:223684,Cc1cc(CN2CCN(c3c(-c4cc(OCc5cccnc5)ccc4OC(F)(F)F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KEASPYAGSWUZRD-UHFFFAOYSA-N
rxn:4:222363:223692,Cc1cc(CN2CCN(c3c(-c4cc(OCc5cccnc5)c(Cl)cc4C(F)(F)F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PGPKATZVFMWACA-UHFFFAOYSA-N
rxn:4:222363:226012,Cc1cc(CN2CCN(c3c(-c4ccc(OCC(F)(F)F)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,TXNWHDJXKIOPMX-UHFFFAOYSA-N
rxn:5:188411:229087:228148,CCOC(=O)c1ncc(-c2sccc2C(C)=O)cc1-c1cccc(OC)c1OC,IDZWJJFHGNKIFT-UHFFFAOYSA-N
rxn:4:187802:222423,COc1c(-c2ccc(OC(F)(F)F)c(CN3C(=O)c4ccccc4C3=O)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DYIIPIRBLXVCJO-UHFFFAOYSA-N
rxn:4:190590:222423,CCOC(=O)c1cc2c(F)cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2[nH]1,DGIFYRUKHPIMGP-UHFFFAOYSA-N
rxn:4:199487:222423,COC(=O)c1cc(Oc2ccc(C#N)c(C#N)c2)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,WSQSQMOUQAAUSL-UHFFFAOYSA-N
rxn:4:201047:223570,CCn1c(=O)c2cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)ccc2n(CC(=O)c2ccc(OC)cc2)c1=O,QLRNPIRYVIJISO-UHFFFAOYSA-N
rxn:4:201184:222700,O=C1c2oc3ccc(-c4ccc(C(F)(F)F)cc4C4CCCNC4)cc3c(=O)c2C(c2ccccc2)N1CCCN1CCOCC1,KOCYMRHBYKWBDP-UHFFFAOYSA-N
rxn:4:201190:222628,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(-c2cc(C4CCC4)nc(C4CCCNC4)c2)c1)N(CCCN1CCOCC1)C3=O,CBIIKYHBZRDRDU-UHFFFAOYSA-N
rxn:4:202809:223570,COc1ccc(C2c3c(oc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1OC,QZHDMQWAALEBFC-UHFFFAOYSA-N
rxn:4:204874:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6cccc([N+](=O)[O-])c6)C(=O)C45)cc3)c(F)ncc21,TUUJZPJPUOWMSM-UHFFFAOYSA-N
rxn:4:207951:223570,Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(-c2c(F)ncc4c2ccn4[Si](C(C)C)(C(C)C)C(C)C)cc1)N(c1nc(C)c(C)s1)C3=O,PBFWJQQFUZDACX-UHFFFAOYSA-N
rxn:4:212790:223570,COCCn1c(=NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)ccc21,RATMJUZONXCNRL-UHFFFAOYSA-N
rxn:4:213451:222700,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(C(F)(F)F)cc5C5CCCNC5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,OFYNCUCHYFVPRR-UHFFFAOYSA-N
rxn:4:213451:223578,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cnc(N6CCCCC6)nc5OCc5ccccc5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,HMYFMIDKPJQAJK-UHFFFAOYSA-N
rxn:4:213451:223688,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCN(CC)CC6)ccc5OC)cc43)C(=O)N2c2ccc(CC)cc2)cc1,JWCOCMOGHCUNRB-UHFFFAOYSA-N
rxn:4:213451:223694,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCN(CC)CC6)c(C)cc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,GRVHPZPUEVEQGY-UHFFFAOYSA-N
rxn:4:213451:223742,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(C(=O)N(CC)Cc6ccccc6)cc5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,AQDMOUDXAUXWIE-UHFFFAOYSA-N
rxn:4:213451:224015,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCOCC6)c(C)cc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,WITMIHLAFCBWNE-UHFFFAOYSA-N
rxn:4:219189:223542,COc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,GSXNOIOZAFYBQG-UHFFFAOYSA-N
rxn:4:219545:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCCN(c5cc(-c6ccc(Cl)cc6)n[nH]5)CC4)o3)c(F)cc2C)CC1,HKDNXRRNRYONPY-UHFFFAOYSA-N
rxn:4:219746:223694,CCN1CCN(S(=O)(=O)c2cc(-c3nc4c(c(=O)n(Cc5cccc(C)c5)c(=O)n4C)n3Cc3ccccc3Cl)c(F)cc2C)CC1,RMPOHTVZMWXSIJ-UHFFFAOYSA-N
rxn:4:219783:222462,CC(=O)n1nc(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)ccc3ncc21,YCEGVWHOWQZEFF-UHFFFAOYSA-N
rxn:4:221274:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)CC1,WSDOFYVYDXTCAK-UHFFFAOYSA-N
rxn:4:221277:222621,CC(C)Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,UWTCINIYUDXDQJ-UHFFFAOYSA-N
rxn:4:221771:223570,CC1CN(c2ccccc2)c2nc3c(c(=O)n(Cc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)c(=O)n3C)n2C1,PJHJNWYBNLUMDI-UHFFFAOYSA-N
rxn:4:221782:224016,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cn(S(=O)(=O)N(C)C)nc4-c4ccccn4)cc3)c(=O)n2C)c(C)c1,KWKVVOIEYIODEB-UHFFFAOYSA-N
rxn:4:221929:223624,Cc1cc(C(C)(C)C)ccc1OCc1cccc(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)c1,FFIWKCNLCAJBND-UHFFFAOYSA-N
rxn:4:221986:223495,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)c4ccccc34)cc2)CC1,JRLRPZYGASLRRV-UHFFFAOYSA-N
rxn:4:221986:228708,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cncnc3C3CC3)cc2)CC1,VDGBMAUUVRXVCJ-UHFFFAOYSA-N
rxn:4:221995:223604,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cccc(Oc6ccc(C(F)(F)F)cc6[N+](=O)[O-])c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,MOMZVNJJQZVRIT-UHFFFAOYSA-N
rxn:4:222205:222628,Cc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCC6)nc(C6CCCNC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,VASHVUFCBAVTRD-UHFFFAOYSA-N
rxn:4:222207:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4nnc5n(Cc6cccc(C)c6)c6c(=O)n(C)c(=O)n(C)c6n45)cc3)c(F)cc2C)CC1,RYRIBVQPBIFJNS-UHFFFAOYSA-N
rxn:4:222275:222462,COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6c(F)cc7nc(NC(=O)OC(C)(C)C)sc7c6F)o5)CC4)ncnc32)cc1,JUUZTSGTFWTBRO-UHFFFAOYSA-N
rxn:4:222362:222448,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(=O)NCc7ccccc7)cc([N+](=O)[O-])c6)cc6[nH]ncc56)nn4)cn3c2)CC1,WAUKCMJVVVZNFN-UHFFFAOYSA-N
rxn:4:222362:223526,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C(=O)N7CCN(C(=O)OC(C)(C)C)CC7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,FGPFOAMFTXGTAI-UHFFFAOYSA-N
rxn:4:222362:223818,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6c(F)cc(F)c7c6ccn7C(=O)OC(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,YYUHFLXEPJNRBS-UHFFFAOYSA-N
rxn:4:222362:225912,CCCOc1c(F)cc(F)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1F,ATUIQZGZXHPBMW-UHFFFAOYSA-N
rxn:4:222363:222467,Cc1cc(CN2CCN(c3c(-c4ccc(NC(=O)OC(C)(C)C)c5ccccc45)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CKLCYHMHGFANOT-UHFFFAOYSA-N
rxn:4:222363:222714,Cc1cc(CN2CCN(c3c(-c4cc(NC(=O)OC(C)(C)C)cc(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZCCLFPWJTRMWNE-UHFFFAOYSA-N
rxn:4:222363:224580,Cc1cc(CN2CCN(c3c(-c4cc(-n5ccnc5C)ccc4C4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AKUNWJPHJQPIJN-UHFFFAOYSA-N
rxn:4:184221:222423,COC(=O)c1c(-c2ccccc2)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc2c(=O)n1Cc1ccc(S(C)(=O)=O)cc1,PDSLCHPYNMTFHI-UHFFFAOYSA-N
rxn:4:184245:222389,Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(-c2cc(C4CCNCC4)nc(C4CCNCC4)c2)cc1)N(CCCOC(C)C)C3=O,YQYOLXCQOFOECM-UHFFFAOYSA-N
rxn:4:187360:222423,COc1cc(CN(C)C2CCOCC2)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,XWAFUVGJBXDEGO-UHFFFAOYSA-N
rxn:4:188010:223570,CCOC(=O)c1c(C)oc2cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c3oc(=O)c(-c4nc5ccccc5o4)cc3c12,CLRUNTMYHSXWGJ-UHFFFAOYSA-N
rxn:4:194802:223570,Cc1ccc(N2C(=O)C3C(c4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1C,YMIPORLWVGNWLO-UHFFFAOYSA-N
rxn:4:201184:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccccc3)N(CCCN3CCOCC3)C5=O)ccc2F)CC1,ZCSVQFXVZZZIJK-UHFFFAOYSA-N
rxn:4:201184:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc4oc5c(c(=O)c4c3)C(c3ccccc3)N(CCCN3CCOCC3)C5=O)cnc21,WQDKHDLGDHVJPL-UHFFFAOYSA-N
rxn:4:213451:222612,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCC(O)CC6)ccc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LHPAQTARIOFTAQ-UHFFFAOYSA-N
rxn:4:213451:222805,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(F)c(F)c(N6CCC(O)CC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,SOMVOTJPJVNWBR-UHFFFAOYSA-N
rxn:4:213451:223534,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(OC6CCN(C(=O)OC(C)(C)C)CC6)ncc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LIUKZGYJECLACS-UHFFFAOYSA-N
rxn:4:213451:223747,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(-c6ccccn6)cc(-c6ccccn6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,SIPBCAZYZCWILN-UHFFFAOYSA-N
rxn:4:213451:223834,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C)c(S(=O)(=O)N6CCN(C)CC6)c(C)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,XKILNIKZJIQMNT-UHFFFAOYSA-N
rxn:4:213451:223980,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(S(=O)(=O)N6CCN(CC)CC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,BTCWJFUKGYAEFM-UHFFFAOYSA-N
rxn:4:213451:225188,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(Cl)c(CN6CCOCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,GWEJBIXFLAFJIO-UHFFFAOYSA-N
rxn:4:214362:222524,CCn1cc(-c2nc(-c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,QSEOLOYWICXMGA-UHFFFAOYSA-N
rxn:4:214362:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4csc(-c5cn(CC)c6cc(N7CCCCCC7)c(F)cc6c5=O)n4)cc3)c(F)cc2C)CC1,OKFDRLQLGGHRFL-UHFFFAOYSA-N
rxn:4:218774:223541,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cc(F)c(F)cc6S(=O)(=O)N6CCC7(CC6)OCCO7)ccc5OC)oc4C)ccn3n2)cc1,XCOSNDHNEMIGPT-UHFFFAOYSA-N
rxn:4:221275:222822,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)NC1CC1,FBGDHCYADGDLPE-UHFFFAOYSA-N
rxn:4:221275:223845,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,FPIXQCLBVOXHPW-UHFFFAOYSA-N
rxn:4:221275:224018,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,RBGFEAJKLSPATG-UHFFFAOYSA-N
rxn:4:221538:222531,Cc1ccc(NC(=O)c2ccc(-c3ccc(Cn4c(CN5CCCCC5C)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)c(C)c1,GPNHXJOYZZUXGF-UHFFFAOYSA-N
rxn:4:221539:222542,Cc1ccc(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1OCCCN1CCNCC1,XLGVFOJNIMAJHW-UHFFFAOYSA-N
rxn:4:221539:224664,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(F)cc(CN4CCN(C)CC4)c3)cc2)CC(C)O1,ZKJBBXXDNXZWNS-UHFFFAOYSA-N
rxn:4:221566:222524,CCc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)c(=O)n2C)cc1,AGUJIYRRNJMJIV-UHFFFAOYSA-N
rxn:4:221769:222524,Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)c(=O)n2C)c1,CEISOXUKQADZOY-UHFFFAOYSA-N
rxn:4:221776:222741,CC1CN(c2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,LRRLZZMEWNTMBZ-UHFFFAOYSA-N
rxn:4:221987:223532,COCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc3OC)nnc12,PVPAIDUJADYPSN-UHFFFAOYSA-N
rxn:4:222195:222424,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)c2)CC1,PFZZDISJJBUHNV-UHFFFAOYSA-N
rxn:4:222356:222702,Cc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6cc(C7CCCNC7)ccc6C(F)(F)F)cc5)c(C)nn43)c2=O)[nH]1,AOORMENWVYKFLE-UHFFFAOYSA-N
rxn:4:222362:222474,Cc1ccccc1CNC(=O)c1cccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1F,YHGDGCVUBSESFE-UHFFFAOYSA-N
rxn:4:222362:223136,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccncc6C6CCCNC6)cc6[nH]ncc56)nn4)cn3c2)CC1,RPEFZDWDTFGQNE-UHFFFAOYSA-N
rxn:4:222362:224633,COc1ccc(CN2CCOCC2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,ACQQBCLWSYCJKW-UHFFFAOYSA-N
rxn:4:222362:227690,COc1cc([N+](=O)[O-])ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,PLPDEPBHQZSZHT-UHFFFAOYSA-N
rxn:4:222363:223812,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VOWPGJIIOSXDKV-UHFFFAOYSA-N
rxn:4:222363:225183,Cc1cc(CN2CCN(c3c(-c4ccc(OC5CCCCC5)nc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IHPLQMTWZFJARR-UHFFFAOYSA-N
rxn:4:222363:227425,Cc1cc(CN2CCN(c3c(-c4cccc(-c5cncs5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SXZZJPBLLUAROR-UHFFFAOYSA-N
rxn:4:185247:222423,COc1cc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc(OC)c1CN1CCC(C(F)(F)F)CC1,IBMNFEZDAFTUQB-UHFFFAOYSA-N
rxn:4:200034:222628,COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3cc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)ccc23)cc1,GPGNGIQCBWCJDT-UHFFFAOYSA-N
rxn:4:201182:223566,Cc1ccc(C)n1-c1cc(-c2cccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCCN3CCOCC3)c2)cc(-n2c(C)ccc2C)n1,UVSQRTVSNVGNNQ-UHFFFAOYSA-N
rxn:4:201184:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccccc3)N(CCCN3CCOCC3)C5=O)ccc2F)CC1,SOGCIRWPBPEEEB-UHFFFAOYSA-N
rxn:4:201188:223572,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1cccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c3ccccc23)c1,GEPNYZPFMHRJHE-UHFFFAOYSA-N
rxn:4:201579:222423,COc1c(-c2cnc(OCC3CCOCC3)c(C#N)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZXYSXAQVCRDOMW-UHFFFAOYSA-N
rxn:4:212845:223841,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)c(C)cc5F)c4)n(Cc4ccco4)c(=O)c23)C1,MYEBSEANGNRUAG-UHFFFAOYSA-N
rxn:4:213405:222851,CCc1cc(-c2ccc(-n3c(C)cc(C(=O)CSc4ncnc5sc(C)c(C)c45)c3C)cc2)cc(C2CCNCC2)n1,FBFRWLXONXGYEI-UHFFFAOYSA-N
rxn:4:213451:222710,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)NC(C)(C)C)ccc5OC)cc43)C(=O)N2c2ccc(CC)cc2)cc1,URRWHCHFCHDCCS-UHFFFAOYSA-N
rxn:4:213451:223001,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C6CCCNC6)ccc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,GHQJPQTYAPOCIA-UHFFFAOYSA-N
rxn:4:213451:223589,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cnc(N6CCN(C(=O)OC(C)(C)C)CC6)cc5C)cc43)C(=O)N2c2ccc(CC)cc2)cc1,VREVSLAIIRPVIZ-UHFFFAOYSA-N
rxn:4:213451:223689,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OC)c(S(=O)(=O)N6CCN(CC)CC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,FWPAJBUHEKPQLP-UHFFFAOYSA-N
rxn:4:213451:223781,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc6ccn(S(=O)(=O)c7ccccc7)c6c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,BADHCEBXJPVGRS-UHFFFAOYSA-N
rxn:4:213451:223902,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OCCN6CCC(C)CC6)c(F)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LASCLHYHFSPFHA-UHFFFAOYSA-N
rxn:4:213451:224008,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C(=O)N6CCOCC6)cc([N+](=O)[O-])c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,VHVGLZGDEURUAI-UHFFFAOYSA-N
rxn:4:213451:224373,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OC)c(S(=O)(=O)N6CCCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LADGOHYNFHWCDF-UHFFFAOYSA-N
rxn:4:213451:224981,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C6CC6)cc(-n6ccnc6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,QMSGSZICEXATJO-UHFFFAOYSA-N
rxn:4:213467:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(Cn4c5ccc(F)cc5c5ncn(Cc6cccc(OC)c6)c(=O)c54)c3)c(F)cc2C)CC1,RJWIPPGUXUZUEU-UHFFFAOYSA-N
rxn:4:214339:223570,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4cc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)ccc43)C2=O)cc1,GZOXIXHIBBHPHK-UHFFFAOYSA-N
rxn:4:214388:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc4c(cc3OC)c(C(=O)N3CCc5[nH]c6ccc(OC)cc6c5C3)c(C)n4C)c2)CC1,WBFZRXYHECWIMW-UHFFFAOYSA-N
rxn:4:214388:224398,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)c(OC)cc12)CC3,MNEQVKPMFSUMBN-UHFFFAOYSA-N
rxn:4:216326:223570,Cc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc23)cc1,ZNZYNBYUDXAZAK-UHFFFAOYSA-N
rxn:4:221252:223845,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1,CDCADPLVHMLDGR-UHFFFAOYSA-N
rxn:4:221275:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CC(C)Cn5c4nc4c5c(=O)n(CCCc5ccccc5)c(=O)n4C)cc3)ccc2C)CC1,JRVQEJURNJLXJQ-UHFFFAOYSA-N
rxn:4:221539:222586,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C(=O)NCCc4ccc(F)cc4)s3)cc2)CC(C)O1,YLBLKOUZYGYPCV-UHFFFAOYSA-N
rxn:4:221575:223835,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCC(C)CC1,XCTLRMLPEFUQCY-UHFFFAOYSA-N
rxn:4:221575:224398,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCCC1,ZTWBNAAMXWNKBF-UHFFFAOYSA-N
rxn:4:221785:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CC(C)Cn5c4nc4c5c(=O)n(Cc5cccc(C)c5)c(=O)n4C)cc3)c(F)cc2C)CC1,ZXCZFWGPTAOYAJ-UHFFFAOYSA-N
rxn:4:221986:223541,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)CC1,IXATTXYVRBMGPI-UHFFFAOYSA-N
rxn:4:221995:224140,Cc1cc(OCc2ccc(Cl)cc2)ccc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,KOHFBVCTPBZMMW-UHFFFAOYSA-N
rxn:4:221995:225771,COc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)c(F)c1OC(C)C,LGSBJASXJBQNTR-UHFFFAOYSA-N
rxn:4:222134:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c5c(=O)n(C)c(=O)n(C)c5n5c(-c6ccc(OC)cc6)nnc45)cc3)c(F)c2)CC1,JFTNYUGUXKLCBQ-DUYHBEBVSA-N
rxn:4:222362:222475,Cc1ccc(CNC(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2F)cc1,GCRWOHULHCRDGQ-UHFFFAOYSA-N
rxn:4:222362:227280,CC(C)c1cnc(C#N)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,MXZRITCDOMYCFV-UHFFFAOYSA-N
rxn:4:187924:222423,CCOc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,WCJHRESDYKTFAX-UHFFFAOYSA-N
rxn:4:190556:222423,CCOC(=O)c1c[nH]c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc12,RMDJLCLWYIXORV-UHFFFAOYSA-N
rxn:4:199820:222423,COc1c(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2C(F)(F)F)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GPUUWHGOLIVBDO-NRFANRHFSA-N
rxn:4:200053:223528,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1cccc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,KBEVIKSAIGGVQD-UHFFFAOYSA-N
rxn:4:200890:222423,CCOc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1,HZEAUXBIGQQCKE-UHFFFAOYSA-N
rxn:4:201167:222389,CCOc1ccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nccs2)cc1OC,JHVKMXYRFLUMHJ-UHFFFAOYSA-N
rxn:4:201186:223528,CCCOc1ccc(C2c3c(oc4ccc(-c5ccc(F)c(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,DZVNMTNJGXCIOT-UHFFFAOYSA-N
rxn:4:201187:223570,CCCOc1cccc(C2c3c(oc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,CUVCPRIKHXGXKW-UHFFFAOYSA-N
rxn:4:202333:222423,COc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,ZQCXHNZHIQLTDB-UHFFFAOYSA-N
rxn:4:202794:223570,COC(=O)c1ccc(C2Oc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3C3CC(c4ccc(C)o4)=NN32)cc1,PTMDFBQPCDMFOA-UHFFFAOYSA-N
rxn:4:202800:222428,CC#Cc1cc2c(c(F)c1-c1cc(C)c(S(=O)(=O)NCc3ccc(OC)cc3)c(C)c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,WOHXEHIKWWNXBQ-GDLZYMKVSA-N
rxn:4:212790:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4c(c3)sc(=NC(=O)c3cc5cc([N+](=O)[O-])ccc5s3)n4CCOC)c(F)cc2C)CC1,CHGVIMRGQKKTSH-UHFFFAOYSA-N
rxn:4:213451:222622,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C(C)CC)nc(C6CCCNC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,NYCHBAXEYZVIGC-UHFFFAOYSA-N
rxn:4:213451:222684,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,FBSRQLQIJVCWEH-UHFFFAOYSA-N
rxn:4:213451:223540,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCC7(CC6)OCCO7)ccc5OC)cc43)C(=O)N2c2ccc(CC)cc2)cc1,ZYAHQBFTZJTHMC-UHFFFAOYSA-N
rxn:4:213451:223829,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCN(CC)CC6)ccc5C)cc43)C(=O)N2c2ccc(CC)cc2)cc1,QOTYCALGDRIAQP-UHFFFAOYSA-N
rxn:4:213451:224010,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCOCC6)ccc5OC)cc43)C(=O)N2c2ccc(CC)cc2)cc1,ROMFKXXLAZRUER-UHFFFAOYSA-N
rxn:4:213451:225177,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(CN6CCSCC6)c(F)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,OEYWWUFKDPHLGO-UHFFFAOYSA-N
rxn:4:213451:225178,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(CN6CCOCC6)cc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,BJDCZTVGBPQMHP-UHFFFAOYSA-N
rxn:4:215222:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4ncn(CC(=O)c5c(C)n(C)c6cc(C)ccc56)c(=O)c4c3)c(F)cc2C)CC1,HWONNABPCXPMIM-UHFFFAOYSA-N
rxn:4:215310:223570,CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)C2c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)c2ccccc21,QEVHVEFJPYBXGO-UHFFFAOYSA-N
rxn:4:218632:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3OC3CCN(C(=O)c4ccc(Cn5ccnc5)cc4)C3)c(F)cc2C)CC1,MAYUISVQGRYQDF-UHFFFAOYSA-N
rxn:4:218773:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-n4c(SCC(=O)N5CCN(c6ccccc6)CC5)nc5c(c4=O)SCC5)cc3)c(F)cc2C)CC1,KJCLQQVLUFCSLM-UHFFFAOYSA-N
rxn:4:218774:222612,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cc(S(=O)(=O)N7CCC(O)CC7)ccc6F)ccc5OC)oc4C)ccn3n2)cc1,XSRDQHRESBQFCS-UHFFFAOYSA-N
rxn:4:221275:223105,CNS(=O)(=O)c1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)c(F)cc1C,DDZVTIOFWWSDJE-UHFFFAOYSA-N
rxn:4:221275:225596,CC1CN(c2ccc(-c3ccc(Cl)c(CN4CCCC4)c3)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,YXZRLTHFKZQWDJ-UHFFFAOYSA-N
rxn:4:221770:223845,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)c1,WYNJZUHFRHFWKX-UHFFFAOYSA-N
rxn:4:221777:224662,CC1CN(c2ccc(-c3cc(F)ccc3CN3CCN(C)CC3)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,FPQCLHOOYHDUKN-UHFFFAOYSA-N
rxn:4:221929:223472,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,OTNFRIDSQGBKTF-UHFFFAOYSA-N
rxn:4:221995:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,WPOBSLSIICFXQY-UHFFFAOYSA-N
rxn:4:221995:224552,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(F)cc(COC6CCCCC6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,AFUHQICBOCTXMD-UHFFFAOYSA-N
rxn:4:222362:222627,Cc1ccc(NCc2ccc(F)c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)cc1,QEFZKYLPOWPAAN-UHFFFAOYSA-N
rxn:4:222363:222490,Cc1cc(CN2CCN(c3c(-c4ccc(F)c(NC(=O)OCc5ccccc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JGKWPSCCKXSZKQ-UHFFFAOYSA-N
rxn:4:222363:223985,COc1ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc1S(=O)(=O)N1CCCCC1,UQTWABMUNLPPQO-UHFFFAOYSA-N
rxn:4:222363:224734,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)cc4OCC4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OJKDRWPIKKVXMY-UHFFFAOYSA-N
rxn:4:222363:225285,Cc1cc(CN2CCN(c3c(-c4cnc(CC(C)C)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZHHPIINLMUTGFO-UHFFFAOYSA-N
rxn:4:184400:222423,COC(=O)Cc1c(C#N)cc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1C(F)F,NQROYFHSSJRPSI-UHFFFAOYSA-N
rxn:4:184460:222423,COC(=O)Cc1c(C#N)cc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1C(F)(F)F,PQXSIMFOUBYXBF-UHFFFAOYSA-N
rxn:4:194793:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N4C(=O)C5C(c6cccc(F)c6)OC6(C(=O)c7ccccc7C6=O)C5C4=O)cc3)c(F)ncc21,KSYVPMMNVKGKHM-UHFFFAOYSA-N
rxn:4:201183:222538,O=C1c2oc3ccccc3c(=O)c2C(c2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2)N1CCCN1CCOCC1,XPULINDPNZQDKC-UHFFFAOYSA-N
rxn:4:202595:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1ccc(CN2CCN(CC(F)(F)F)CC2)c2ccccc12,HJTMAIDLQRIKAU-UHFFFAOYSA-N
rxn:4:212846:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CSc4nc5sc6c(c5c(=O)n4Cc4ccco4)CCN(C(C)=O)C6)cc3)c(F)cc2C)CC1,UXWCNHKLJPNHIY-UHFFFAOYSA-N
rxn:4:213371:223570,CCCc1cnc2c(c1SCc1ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc1)c(=O)n(C)c(=O)n2C,UDPHXIAALQEMPI-UHFFFAOYSA-N
rxn:4:213451:225005,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(C(C)N6CCOCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,RGUIPGQADCVZDJ-UHFFFAOYSA-N
rxn:4:213474:223841,Cc1cc(F)c(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc([C@@H]5CC6(CC6)CN5C(=O)OC(C)(C)C)[nH]4)ccc2-3)cc1S(=O)(=O)N1CCN(C)CC1,GFDAXIAGCBPBEO-XIFFEERXSA-N
rxn:4:214357:223841,CC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)CC1c1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)cc1,AKWLMYBLYBQSGL-UHFFFAOYSA-N
rxn:4:214388:222822,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(S(=O)(=O)NC5CC5)c(C)cc4F)c(OC)cc12)CC3,UFEAFIUJULTAHW-UHFFFAOYSA-N
rxn:4:214388:222996,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(F)cc4C4CCCNC4)c(OC)cc12)CC3,UPJWSOVJDBQAJX-UHFFFAOYSA-N
rxn:4:214388:223054,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C(C)N5CCC(O)C5)s4)c(OC)cc12)CC3,CHLSKKXPZBZZTD-UHFFFAOYSA-N
rxn:4:214388:223839,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(S(=O)(=O)N5CCN(C)CC5)ccc4OC)c(OC)cc12)CC3,IBBUWYDUBJGBHQ-UHFFFAOYSA-N
rxn:4:215264:223570,CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)s1,VBHGRBKKMMZLGR-UHFFFAOYSA-N
rxn:4:218785:223830,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc(C)c(S(=O)(=O)N4CCN(CC)CC4)c3)cc1-2,SKRIYOHLDRJKEW-UHFFFAOYSA-N
rxn:4:221274:223527,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,LOFYKCLNHLPMMW-UHFFFAOYSA-N
rxn:4:221275:222524,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,UHQAKZXYRBHBOI-UHFFFAOYSA-N
rxn:4:221277:222847,Cn1c(=O)n(Cc2ccc(-c3cc(C#N)cc(C4CCCNC4)c3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,LRAUBQWZXLWTEK-UHFFFAOYSA-N
rxn:4:221277:223061,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCNCC4)ncc3F)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,RFWXHNLYYHGEPV-UHFFFAOYSA-N
rxn:4:221538:223586,COc1ccc(COc2cc(-c3ccc(Cn4c(CN5CCCCC5C)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc(C(F)(F)F)c2)cc1,YASGKZGHPDEBJF-UHFFFAOYSA-N
rxn:4:221538:223600,Cc1ccc(S(=O)(=O)n2cc(-c3ccc(Cn4c(CN5CCCCC5C)nc5c4c(=O)n(C)c(=O)n5C)cc3)c3cc(Cl)cnc32)cc1,CLRYWKKFNOPEEE-UHFFFAOYSA-N
rxn:4:221575:224405,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,XFIVSUVEALSNSE-UHFFFAOYSA-N
rxn:4:221758:222524,Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1,QUBHHSXKPITMEE-UHFFFAOYSA-N
rxn:4:221995:223748,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(N6CCCCC6)cc(N6CCCCC6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,KPBGATVKXLNBQV-UHFFFAOYSA-N
rxn:4:221995:223890,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc6ncn(Cc7ccccc7)c6cc5F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,WKKQEQVLDUHELW-UHFFFAOYSA-N
rxn:4:222137:223845,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1,DOHGKJIESSXTDO-UHFFFAOYSA-N
rxn:4:222352:223841,CSc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6cc(S(=O)(=O)N7CCN(C)CC7)c(C)cc6F)cc5)c(C)nn43)c2=O)[nH]1,IAAMUJMICSKPRG-UHFFFAOYSA-N
rxn:4:222362:224280,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc7c(s6)CCN(C(=O)OC(C)(C)C)C7)cc6[nH]ncc56)nn4)cn3c2)CC1,OBRNQZUJGNWKGH-UHFFFAOYSA-N
rxn:4:222362:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,RCLYDHQZHQHROX-UHFFFAOYSA-N
rxn:4:222362:225807,COc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(-c2cncs2)c1,MGXGNWZYMUNKKF-UHFFFAOYSA-N
rxn:4:222363:223511,Cc1cc(CN2CCN(c3c(-c4ccc5c(ccn5-c5ccc(-c6ccccc6)cc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IRIFHHCVZZSGKT-UHFFFAOYSA-N
rxn:4:222363:224268,Cc1cc(CN2CCN(c3c(-c4ccc5c(cnn5C(=O)OC(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZAHQRPHJMZGFFS-UHFFFAOYSA-N
rxn:4:222363:226706,Cc1cc(CN2CCN(c3c(-c4cnc(Cl)c(-c5ccsc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,USCNHILQNXEQQH-UHFFFAOYSA-N
rxn:4:199877:222423,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)=NC23CCCCC3)cc(OC)c1OC,JTAGBIRVEWTIMP-UHFFFAOYSA-N
rxn:4:212744:223897,Cc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OCCCN1CCOCC1,DPNCXWMLFOPSPU-UHFFFAOYSA-N
rxn:4:212756:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4c(c3)sc(=NC(=O)c3ccc([N+](=O)[O-])s3)n4CCOC)c(F)cc2C)CC1,YTJHQDAPGPUOAK-UHFFFAOYSA-N
rxn:4:212845:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(CSc4nc5sc6c(c5c(=O)n4Cc4ccco4)CCN(C(C)=O)C6)c3)c(F)cc2C)CC1,ZWRRWDWIXBCGDY-UHFFFAOYSA-N
rxn:4:213450:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc2nc(C)c(C3=NN(C(=O)C(C)C)C(c4ccccc4F)C3)c(-c3ccccc3)c2c1,UNNPKSUMYVWLPY-UHFFFAOYSA-N
rxn:4:213451:223698,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OC(F)(F)F)c(S(=O)(=O)N6CCCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,REXOFEOSYVVTNN-UHFFFAOYSA-N
rxn:4:213451:223839,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)ccc5OC)cc43)C(=O)N2c2ccc(CC)cc2)cc1,WJTKTGADHCQVLP-UHFFFAOYSA-N
rxn:4:213451:223951,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OCCN6CCN(C)CC6)c(F)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,NVFRFUWSZRHYAM-UHFFFAOYSA-N
rxn:4:213451:223994,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)ccc5C)cc43)C(=O)N2c2ccc(CC)cc2)cc1,QUWBZAYVWXZVCW-UHFFFAOYSA-N
rxn:4:214388:223000,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C5CCCNC5)c(F)c4)c(OC)cc12)CC3,UXUWBZVCHYHGJM-UHFFFAOYSA-N
rxn:4:214388:223542,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)c(OC)cc12)CC3,RHUGLRNMZJTIPP-UHFFFAOYSA-N
rxn:4:214388:224126,CCN1CCN(C(C)c2cccc(-c3cc4c(cc3OC)c(C(=O)N3CCc5[nH]c6ccc(OC)cc6c5C3)c(C)n4C)c2)CC1,DCVKVVRZXOAOSV-UHFFFAOYSA-N
rxn:4:214388:225349,CCCOc1c(F)c(F)c(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c(F)c1F,UPUWIARBGKUFNX-UHFFFAOYSA-N
rxn:4:215256:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4[nH]c5c(SCc6ccc(C)cc6C)ncnc5c4c3)c(F)cc2C)CC1,NMEMTMPTCXONFF-UHFFFAOYSA-N
rxn:4:218774:223536,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cc(F)c(F)c(N7CCN(C(=O)OC(C)(C)C)CC7)c6)ccc5OC)oc4C)ccn3n2)cc1,AWVCFRDPPWUAQL-UHFFFAOYSA-N
rxn:4:218774:223992,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6ccc(C)c(S(=O)(=O)N7CCN(C)CC7)c6)ccc5OC)oc4C)ccn3n2)cc1,DDMDQDBRZDDUPU-UHFFFAOYSA-N
rxn:4:218774:223994,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cc(S(=O)(=O)N7CCN(C)CC7)ccc6C)ccc5OC)oc4C)ccn3n2)cc1,MBVYBYGKVMQLMH-UHFFFAOYSA-N
rxn:4:219640:222423,COc1c(-c2ccc(-c3c(C)nn4c(C)c(C(=O)OC(C)C)nnc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ONXYELFKHMYQRH-UHFFFAOYSA-N
rxn:4:221252:222538,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1,CTNUWMPJNIHLHG-UHFFFAOYSA-N
rxn:4:221272:223845,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)n(C)c1=O,OCDOCNMGFZPVRY-UHFFFAOYSA-N
rxn:4:221273:224405,Cn1c(=O)n(Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)cc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,KHTFUOASJRXKHI-UHFFFAOYSA-N
rxn:4:221277:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6c5ccc(Oc6ccccc6)cc5)n(C)c4=O)cc3)ccc2OC(F)(F)F)CC1,QTTILIDRHYOYIE-UHFFFAOYSA-N
rxn:4:221558:223570,Cc1cn2c3c(=O)n(Cc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)c(=O)n(C)c3nc2n1Cc1ccco1,AYSMGWGRSYVJHZ-UHFFFAOYSA-N
rxn:4:221575:222822,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)NC1CC1,MEOFDHWPYVBTAJ-UHFFFAOYSA-N
rxn:4:221575:223699,CC1CN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,JHKYMTGJIAHYEP-UHFFFAOYSA-N
rxn:4:221575:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCc4ccccc4)c(=O)n3C)cc2)CC1,VAOSSAAZSFXGRO-UHFFFAOYSA-N
rxn:4:221742:222423,CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)n(C)c1=O,FNHCGEMTLDCFEI-UHFFFAOYSA-N
rxn:4:221782:224405,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCCC4)cc3)c(=O)n2C)c(C)c1,VPFVEJXXBMJSOR-UHFFFAOYSA-N
rxn:4:221789:224398,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)n(C)c2=O)cc1,BOGDHDZJKKFOIH-UHFFFAOYSA-N
rxn:4:221988:222466,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)ccc3OC)nnc12,KKARYGADJXDNDL-UHFFFAOYSA-N
rxn:4:221995:224306,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(C(F)(F)F)cc5OC5CCCC5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,DMXIEUHMCDJRHC-UHFFFAOYSA-N
rxn:4:221995:225806,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cnc(OC6CCCC6)cc5F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,YLLWGRRXQKPOFH-UHFFFAOYSA-N
rxn:4:222113:222423,COc1c(-c2ccc(-n3nnc4c(=O)n(CC(=O)N5CC(C)OC(C)C5)cnc43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MSDQCRZZZQGYTP-UHFFFAOYSA-N
rxn:4:222362:222447,COc1ccc2c(c1-c1cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c1)N=C(NC(=O)OC(C)(C)C)C2,BTDHUXZKDJDPSS-UHFFFAOYSA-N
rxn:4:222362:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,QEGDPFPZFZVNCG-UHFFFAOYSA-N
rxn:4:184047:222423,COc1ccc(CN(C(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)C2CCS(=O)(=O)C2)cc1,ZPLZSMAPGLWEIR-UHFFFAOYSA-N
rxn:4:200054:222615,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1ccc(-c2cc(CC(C)C)cc(C3CCNCC3)c2)cc1,ODKQKVYYAUUHAX-UHFFFAOYSA-N
rxn:4:212751:222613,CCCNS(=O)(=O)c1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c(C(F)(F)F)c1,FTNISRNTNNVODK-UHFFFAOYSA-N
rxn:4:212842:223841,Cc1cc(F)c(-c2ccc3[nH]cc(CCc4nc5ccccc5c(=O)n4-c4cccc(OC(C)C)c4)c3c2)cc1S(=O)(=O)N1CCN(C)CC1,VSJJHBRDLUTSCN-UHFFFAOYSA-N
rxn:4:212846:224398,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(S(=O)(=O)N6CCCC6)c(C)cc5F)cc4)n(Cc4ccco4)c(=O)c23)C1,BUTAVNYRVFOREI-UHFFFAOYSA-N
rxn:4:213451:223504,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)c([N+](=O)[O-])c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LECDCTPHZDNMFE-UHFFFAOYSA-N
rxn:4:213451:223523,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(S(=O)(=O)N6CCN(CC)CC6)c6ccccc56)cc43)C(=O)N2c2ccc(CC)cc2)cc1,DXVPQKDSQWFNPH-UHFFFAOYSA-N
rxn:4:213451:223597,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OCCN6CCC7(CC6)OCCO7)c(Cl)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,FGGKZEVJZWCCDJ-UHFFFAOYSA-N
rxn:4:213451:224066,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(-c6ccncc6)cc(C(C)(C)C)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,OLUYQXAMNRTCQP-UHFFFAOYSA-N
rxn:4:214358:223816,CC(=O)N1N=C(c2c(C)nc3ccc(-c4cc5c(Cl)ccnc5n4COCC[Si](C)(C)C)cc3c2-c2ccccc2)CC1c1ccccc1F,QRXCKRPQKCNIRK-UHFFFAOYSA-N
rxn:4:214358:223828,CCN1CCN(c2cc(-c3ccc4nc(C)c(C5=NN(C(C)=O)C(c6ccccc6F)C5)c(-c5ccccc5)c4c3)cc(C(F)(F)F)c2)CC1,AXFZQLUNGQORID-UHFFFAOYSA-N
rxn:4:214359:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc2nc(C)c(C3=NN(C(C)=O)C(c4ccc(F)cc4)C3)c(-c3ccccc3)c2c1,IRMZIPMWCRAQDB-UHFFFAOYSA-N
rxn:4:214361:223845,CO[C@H]1CC[C@H](n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)ccc32)CC1,UEPWUOUILIDTGW-ZZEPOTGUSA-N
rxn:4:214362:223845,CCn1cc(-c2nc(-c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,CKEZKUHJZFDDOK-UHFFFAOYSA-N
rxn:4:214388:222997,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(Cl)cc4C4CCCNC4)c(OC)cc12)CC3,VCDDPBUDUMJSNY-UHFFFAOYSA-N
rxn:4:214388:223001,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(C5CCCNC5)ccc4F)c(OC)cc12)CC3,NBBFMHIUIUQKJJ-UHFFFAOYSA-N
rxn:4:214388:223002,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C5CCNCC5)cc4F)c(OC)cc12)CC3,WZZRNAFLVRXSHT-UHFFFAOYSA-N
rxn:4:214388:223053,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C(=O)NC(C)C)cc4F)c(OC)cc12)CC3,UPTIHUJFWXEAOE-UHFFFAOYSA-N
rxn:4:214388:223600,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cn(S(=O)(=O)c5ccc(C)cc5)c5ncc(Cl)cc45)c(OC)cc12)CC3,YPFKGGWBVJHLJX-UHFFFAOYSA-N
rxn:4:214388:224405,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCCC4)c(OC)cc12)CC3,XQIJHKPJMDCFOM-UHFFFAOYSA-N
rxn:4:218774:224196,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cc(F)cc(CN7CCN(CC)CC7)c6)ccc5OC)oc4C)ccn3n2)cc1,MIRIVAGJBLWFIK-UHFFFAOYSA-N
rxn:4:221274:223530,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,XYUKXSZOXOTZBC-UHFFFAOYSA-N
rxn:4:221275:225378,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N(C)C)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,RYHNOJUQFPNXRA-UHFFFAOYSA-N
rxn:4:221277:222629,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,KBVXFIZWBATISP-UHFFFAOYSA-N
rxn:4:221539:222524,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc2)CC(C)O1,DWPDESVSHLHQHK-UHFFFAOYSA-N
rxn:4:221575:224290,CC1CN(c2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,OYDYAKUGYIEHQQ-UHFFFAOYSA-N
rxn:4:221575:225364,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N(C)C,VALJLULEQFVVNW-UHFFFAOYSA-N
rxn:4:221747:222537,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cc2)c(=O)c2c1nc1n2CCN1c1ccc(F)cc1,MLTCVQPJRQXXNK-UHFFFAOYSA-N
rxn:4:221755:223841,Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)c(=O)n2C)cc1,UVJOCAGHKOJKMD-UHFFFAOYSA-N
rxn:4:221777:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)cc1,VTZDFAFQDFCHLA-UHFFFAOYSA-N
rxn:4:221787:224405,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCCC4)cc3)c(=O)n2C)c1,MEVCJIFBHIDTBG-UHFFFAOYSA-N
rxn:4:221929:223936,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc6c(F)cccc6n5C(=O)OC(C)(C)C)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,DJDPKADDNFOTEF-UHFFFAOYSA-N
rxn:4:222144:223995,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1,SWGDECMVTDKZHL-UHFFFAOYSA-N
rxn:4:222144:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1,MUXFPQYLGCIYIZ-UHFFFAOYSA-N
rxn:4:222362:223478,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(-c7cc(-c8ccccn8)nc(-c8ccccn8)c7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,DADJFDMUCRZRNZ-UHFFFAOYSA-N
rxn:4:222363:222554,Cc1cc(CN2CCN(c3c(-c4ccc(C(=O)NCc5ccccc5)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KUEFKQXDAWAOKF-UHFFFAOYSA-N
rxn:4:178605:222389,c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)c4ccc(-c5ccccc5)cc34)cc2)cc1,KWYLZXWMAUNKCD-UHFFFAOYSA-N
rxn:4:199953:222423,CCn1c(=NC(=O)CCS(=O)(=O)c2ccccc2)sc2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,JVPJGRNMXIEEPT-UHFFFAOYSA-N
rxn:4:200835:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(OCc4ccc(Cl)cc4)c(C=C4SC(N5CCOCC5)=NC4=O)c3)ccc2F)CC1,FBGYGRGMZAXECZ-UHFFFAOYSA-N
rxn:4:201167:223845,CCOc1ccc(C2c3c(oc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4c3=O)C(=O)N2c2nccs2)cc1OC,ZFGTYAZLURPPES-UHFFFAOYSA-N
rxn:4:202065:222423,COc1cc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc(OC)c1CN1CCN(C)CC1,XYUNBXFGVWRCGU-UHFFFAOYSA-N
rxn:4:204952:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(C)(C)C)cc2)N(c2nccs2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CUPJYXPUMZOEIP-UHFFFAOYSA-N
rxn:4:212845:223845,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)c4)n(Cc4ccco4)c(=O)c23)C1,QSRDPVLNJKRQLX-UHFFFAOYSA-N
rxn:4:212845:223994,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)ccc5C)c4)n(Cc4ccco4)c(=O)c23)C1,MOQOAMGUMTYBMS-UHFFFAOYSA-N
rxn:4:213451:224685,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(C(=O)N6CCC(=O)CC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,SXRBWQUOPIJJFB-UHFFFAOYSA-N
rxn:4:213473:223841,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)c(C)cc5F)cc4)n(-c4ccccc4C)c(=O)c23)C1,PXXDKDQPVOSLCQ-UHFFFAOYSA-N
rxn:4:214359:223828,CCN1CCN(c2cc(-c3ccc4nc(C)c(C5=NN(C(C)=O)C(c6ccc(F)cc6)C5)c(-c5ccccc5)c4c3)cc(C(F)(F)F)c2)CC1,QEXDNDXLPVAJRV-UHFFFAOYSA-N
rxn:4:214388:224127,CCN1CCN(C(C)c2ccc(-c3cc4c(cc3OC)c(C(=O)N3CCc5[nH]c6ccc(OC)cc6c5C3)c(C)n4C)cc2)CC1,HSTUSAIMVAFZNN-UHFFFAOYSA-N
rxn:4:214388:224988,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C5CC5)cc4-n4ccnc4)c(OC)cc12)CC3,WSLVPFLDCCZZBV-UHFFFAOYSA-N
rxn:4:219189:224193,CCN1CCN(Cc2cc(-c3ccc(OC)c(-c4nc(Cn5ccn6nc(-c7ccc(C)c(C)c7)cc6c5=O)c(C)o4)c3)ccc2F)CC1,QMQLVNXNSAACSN-UHFFFAOYSA-N
rxn:4:220557:223841,Cc1cc(F)c(-c2ccc(-c3c(C)nn4c3ncc3c(=O)n(-c5ccccc5F)ccc34)cc2)cc1S(=O)(=O)N1CCN(C)CC1,UDTWYQHMYBKOPU-UHFFFAOYSA-N
rxn:4:221277:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(Oc4ccccc4)cc3)n(C)c2=O)cc1,UIUFZMCAZZTDPJ-UHFFFAOYSA-N
rxn:4:221539:223841,Cc1cc(F)c(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,AOVCNMGJUMMVCJ-UHFFFAOYSA-N
rxn:4:221575:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCc4ccccc4)c(=O)n3C)cc2)c(C(F)(F)F)c1,PPTXLUVDRMOXPW-UHFFFAOYSA-N
rxn:4:221765:223845,Cc1ccc(Cn2c(=O)c3c(nc4n(-c5ccc(-c6cc(F)c(F)cc6S(=O)(=O)N6CCN(C)CC6)cc5)c(C)cn34)n(C)c2=O)cc1,ZXTHMZWQQOATPH-UHFFFAOYSA-N
rxn:4:221768:223845,Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)cc1C,PQGZAXKEEZJLLF-UHFFFAOYSA-N
rxn:4:221772:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4)c(=O)n3C)cc2)CC1,VNXNKKZZOHJHHK-UHFFFAOYSA-N
rxn:4:221772:224398,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCCC1,UWYGEEDCCYTZJN-UHFFFAOYSA-N
rxn:4:221781:222822,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4cccc(C)c4C)n(C)c3=O)cc2)cc1S(=O)(=O)NC1CC1,OEDARDGMIYKRTD-UHFFFAOYSA-N
rxn:4:221790:222822,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(S(=O)(=O)NC4CC4)c(C)cc3F)cc2)n(C)c1=O,IKIFEFZAUVDVHU-UHFFFAOYSA-N
rxn:4:221988:223533,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)ccc3OC)nnc12,LAYGPIZZGZKDJS-UHFFFAOYSA-N
rxn:4:222144:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1,JKYDNMYDIAOJGS-UHFFFAOYSA-N
rxn:4:222272:223598,Cc1ccc(Cn2nnc3c(=O)n(Cc4nc(-c5ccc(F)c(-c6ccc(OCCN7CCC8(CC7)OCCO8)c(F)c6)c5)no4)cnc32)cc1,MEMMSGQPQGTTCO-UHFFFAOYSA-N
rxn:4:222306:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5ccc(F)cc5)CC4)o3)c(F)cc2C)CC1,FOILBDSBLFXQCA-UHFFFAOYSA-N
rxn:4:222362:223984,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(Oc7ccc(F)cc7[N+](=O)[O-])cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,PVKQPYGDVBPGQS-UHFFFAOYSA-N
rxn:4:222362:224118,COc1c(OCc2ccccc2)cccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,WCBPQMZEAKCYTR-UHFFFAOYSA-N
rxn:4:222362:225927,CN(C)c1ccc(C(F)(F)F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,OGGUVUSSQBDYCD-UHFFFAOYSA-N
rxn:4:222363:223001,Cc1cc(CN2CCN(c3c(-c4cc(C5CCCNC5)ccc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZNNBNPRHQVJPFP-UHFFFAOYSA-N
rxn:4:222363:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,YEMAGHUYGVGCBV-UHFFFAOYSA-N
rxn:4:222363:224777,Cc1cc(CN2CCN(c3c(-c4cnc(C5CCCC5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WWSCPPOHDAXMOX-UHFFFAOYSA-N
rxn:4:222363:226038,COc1cc(C(F)(F)F)c(F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,IEIKZXTYKILJFA-UHFFFAOYSA-N
rxn:4:189231:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1sc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)nc1C,VDLMZQMWRRMNOT-UHFFFAOYSA-N
rxn:4:200024:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2nc3c(cc2Cc2ccc(F)cc2)N(C(=O)OCc2ccccc2)CC3(C)C)CC1,XJFABHILRPNKBY-UHFFFAOYSA-N
rxn:4:201031:222423,CCCN1C(=O)C(=C2SC(=S)N(CCOC)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,CEVAYXWVQBQSIB-UHFFFAOYSA-N
rxn:4:201173:222423,CCCOc1cccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2cc(C)on2)c1,ZTACPQFZUXQTIH-UHFFFAOYSA-N
rxn:4:201173:223570,CCCOc1cccc(C2c3c(oc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4c3=O)C(=O)N2c2cc(C)on2)c1,NEYHNIZHYDRTLH-UHFFFAOYSA-N
rxn:4:201177:223845,COc1cccc(CSc2nc3sc4c(c3c(=O)n2-c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)CCCC4)c1,GYEZXCGMTZZOPX-UHFFFAOYSA-N
rxn:4:201186:223533,CCCOc1ccc(C2c3c(oc4ccc(-c5ccc(CN6CCN(C(=O)OC(C)(C)C)CC6)cc5F)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,IKRHCTHYHLTSSS-UHFFFAOYSA-N
rxn:4:212842:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc2[nH]cc(CCc3nc4ccccc4c(=O)n3-c3cccc(OC(C)C)c3)c2c1,DKRPLUXBQDENSN-UHFFFAOYSA-N
rxn:4:212845:224950,COc1ccc(-c2cccc(CSc3nc4sc5c(c4c(=O)n3Cc3ccco3)CCN(C(C)=O)C5)c2)c(CN2CCCC2)c1,MKONAGIYOUWASC-UHFFFAOYSA-N
rxn:4:212846:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CSc4nc5sc6c(c5c(=O)n4Cc4ccco4)CCN(C(C)=O)C6)cc3)c3ccccc23)CC1,HVZMDPZBLHURKX-UHFFFAOYSA-N
rxn:4:213377:223570,CCCN1C(=O)C(=Cc2c(Oc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)nc3ccccn3c2=O)SC1=S,CZNCNZQWCRXOGI-UHFFFAOYSA-N
rxn:4:213445:223839,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(S(=O)(=O)N7CCN(C)CC7)ccc6OC)c(OC)ccc5c4)nc23)cc1OC,XOLXSDIIKSWJJM-UHFFFAOYSA-N
rxn:4:213449:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(C)c(C5=NN(C(C)=O)C(c6ccccc6OC)C5)c(-c5ccccc5)c4c3)c(F)cc2C)CC1,NSOMFERDYUKABB-UHFFFAOYSA-N
rxn:4:213451:222432,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(S(=O)(=O)NC6CCCCC6)c6ccccc56)cc43)C(=O)N2c2ccc(CC)cc2)cc1,WDUWFDLMJFCNGK-UHFFFAOYSA-N
rxn:4:213451:224300,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(C(=O)N6CCSCC6)cc5OC)cc43)C(=O)N2c2ccc(CC)cc2)cc1,IREBCIOAGIZSAQ-UHFFFAOYSA-N
rxn:4:213451:224392,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCOCC6)ccc5C)cc43)C(=O)N2c2ccc(CC)cc2)cc1,QARLVJCNKJTBJL-UHFFFAOYSA-N
rxn:4:214357:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C4CC(c5c(C)nc6ccc(Cl)cc6c5-c5ccccc5)=NN4C(C)=O)cc3)c(F)cc2C)CC1,NTAPZNLUQYVLHL-UHFFFAOYSA-N
rxn:4:214388:222891,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(OC)nc(C5CCNCC5)c4)c(OC)cc12)CC3,KUSQWHQGLKUVQG-UHFFFAOYSA-N
rxn:4:214388:223007,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(F)cc(C5CCNCC5)c4)c(OC)cc12)CC3,HPTTUYMVWMQZSA-UHFFFAOYSA-N
rxn:4:214388:223141,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cncc(C5CCNCC5)c4)c(OC)cc12)CC3,HPXCQJIYXZLZJY-UHFFFAOYSA-N
rxn:4:218636:222423,COc1c(-c2ccc(-n3nnc(C(=O)OCc4nc(-c5ccccc5)oc4C)c3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,WWUQLSLYKHOADO-UHFFFAOYSA-N
rxn:4:218774:222700,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6ccc(C(F)(F)F)cc6C6CCCNC6)ccc5OC)oc4C)ccn3n2)cc1,WXLZZNHGRABMFM-UHFFFAOYSA-N
rxn:4:219189:222828,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,KFQVGSRLTOELFA-UHFFFAOYSA-N
rxn:4:221275:225594,CC1CN(c2ccc(-c3ccc(F)cc3CN3CCCC3)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,RFRMJBOXGCSPPD-UHFFFAOYSA-N
rxn:4:221574:222537,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)cc1,HSENKVVWRPZUNC-UHFFFAOYSA-N
rxn:4:221781:223541,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)c(=O)n2C)c1C,YJMGZQKKBGEVFN-UHFFFAOYSA-N
rxn:4:221785:222822,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(S(=O)(=O)NC5CC5)c(C)cc4F)cc3)n(C)c2=O)c1,QGUASQWOPCDHLT-UHFFFAOYSA-N
rxn:4:221995:224150,Cc1c(F)cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)cc1OCc1ccccc1,GYMRHIDINCKMQY-UHFFFAOYSA-N
rxn:4:222186:222423,COc1c(-c2cnccc2OC2CCN(c3nc(C)nc4c3cnn4C)C2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GJECINCBQZZHRP-UHFFFAOYSA-N
rxn:4:222205:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(Cn2c3c(=O)n(C)c(=O)n(C)c3n3c(-c4ccc(C)cc4)nnc23)cc1,JHTABNWKNKZKHY-UHFFFAOYSA-N
rxn:4:222362:223243,COc1cc2cn[nH]c2cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,MQOKYRQQNBPLLA-UHFFFAOYSA-N
rxn:4:222362:223503,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6c(F)cc(OC7CCN(C(=O)OC(C)(C)C)CC7)cc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,ACRYUYMREUGARK-UHFFFAOYSA-N
rxn:4:222362:223793,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(F)(F)F)ccc6OCc6ccccc6)cc6[nH]ncc56)nn4)cn3c2)CC1,LLMANIYANFWTJO-UHFFFAOYSA-N
rxn:4:222362:223844,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(S(=O)(=O)N7CCCC7)cc6C(F)(F)F)cc6[nH]ncc56)nn4)cn3c2)CC1,UWYLGGBTSRQLKO-UHFFFAOYSA-N
rxn:4:222362:224198,CCN1CCN(Cc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(F)c2)CC1,PWEDZNWSMKAELJ-UHFFFAOYSA-N
rxn:4:185865:222423,COC(=O)c1cc(C#N)c(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1C(F)F,AKTZEQUJPVWFFO-UHFFFAOYSA-N
rxn:4:200896:223845,COc1cc(OC)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1CN1CCN(c2cc(C)ccc2C)CC1,AIKPWQYNUKVGCE-UHFFFAOYSA-N
rxn:4:202496:222423,CCOc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1S(=O)(=O)n1cnc2ccccc21,UOKXFHBZYXTMCG-UHFFFAOYSA-N
rxn:4:212839:223819,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc5cnccc5n4S(=O)(=O)c4ccccc4)ccn23)CC1,IXWVNZOHFMINJO-UHFFFAOYSA-N
rxn:4:212846:223844,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5ccc(S(=O)(=O)N6CCCC6)cc5C(F)(F)F)cc4)n(Cc4ccco4)c(=O)c23)C1,KEPFQLMEOXRYHY-UHFFFAOYSA-N
rxn:4:212851:223845,CCOc1cc2nc3c4cc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)ccc4n(CC(C)C)c3nc2cc1OCC,IRUXFVASLGYREJ-UHFFFAOYSA-N
rxn:4:213425:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc3ccn(CCC(=O)N4CCC(c5noc6cc(F)ccc56)CC4)c3c2)CC1,CYCZFJICMKHNOG-UHFFFAOYSA-N
rxn:4:213450:223845,Cc1nc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,WPRWAMYQEQFKGX-UHFFFAOYSA-N
rxn:4:213451:224017,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(N6CCCS6(=O)=O)cc5C(F)(F)F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LGAMNLYPXHHQDP-UHFFFAOYSA-N
rxn:4:213451:224324,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(F)c(C(=O)N6CCC(=O)CC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,OJGKVBPMTUJZNP-UHFFFAOYSA-N
rxn:4:213451:224580,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(-n6ccnc6C)ccc5C5CC5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,WQTKVAWONLCHSX-UHFFFAOYSA-N
rxn:4:214388:222998,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(F)cc(C5CCCNC5)c4)c(OC)cc12)CC3,XNJNSEHOZFTNMV-UHFFFAOYSA-N
rxn:4:214388:223008,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(C5CCNCC5)ccc4F)c(OC)cc12)CC3,AJURPKJCYQGCOV-UHFFFAOYSA-N
rxn:4:214388:223944,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4c(C)c(Cl)cc5c4cnn5C4CCCCO4)c(OC)cc12)CC3,LNNZUAWLLFJNKS-UHFFFAOYSA-N
rxn:4:219145:223841,COc1cc2ncnc(N3CCC(Oc4ccncc4-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)C3)c2cc1OC,RLSZPHQERFXLGP-UHFFFAOYSA-N
rxn:4:219790:222423,CCc1ccc2ncc3c(-c4cccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)c4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1,VTVBNLXAXHKXDA-UHFFFAOYSA-N
rxn:4:221274:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)CC1,AWZGUGWMYBAGKU-UHFFFAOYSA-N
rxn:4:221274:225592,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)ccc2CN2CCCC2)cc1,ZXRXUMJCTGIJEO-UHFFFAOYSA-N
rxn:4:221274:225594,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(F)cc2CN2CCCC2)cc1,PTVQTLDXVARUEF-UHFFFAOYSA-N
rxn:4:221277:224950,COc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)c(CN2CCCC2)c1,SQWDAKXCVCYXQT-UHFFFAOYSA-N
rxn:4:221775:224398,Cc1cccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)n(C)c2=O)c1,HKMNZOHGRXDWNM-UHFFFAOYSA-N
rxn:4:221781:224405,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCCC4)cc3)c(=O)n2C)c1C,VYGKMKGSUIKBBX-UHFFFAOYSA-N
rxn:4:221788:222524,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)c(=O)n2C)cc1,GXMYWICJQACJPG-UHFFFAOYSA-N
rxn:4:221790:224018,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)cc2)n(C)c1=O,OPFFCHXNDHLPKS-UHFFFAOYSA-N
rxn:4:221986:223483,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cc2)CC1,MZXNYKXBTUMFAL-UHFFFAOYSA-N
rxn:4:222133:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(-c3nnc4n(CCc5ccccc5)c5c(=O)n(C)c(=O)n(C)c5n34)cc2)CC1,FZCRYQOLGAVXJL-UHFFFAOYSA-N
rxn:4:222144:223908,COc1ccc(COc2cc(Cl)ccc2-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cc1,FXMMPVCEYDIPFS-UHFFFAOYSA-N
rxn:4:222362:222510,Cc1ccc(NC(=O)c2cc(F)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)c(Cl)c1,GERUFOKGQHUIMC-UHFFFAOYSA-N
rxn:4:222362:223193,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(F)c(-c7nnn[nH]7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,FDOFLHSQFCPTMD-UHFFFAOYSA-N
rxn:4:222363:222996,Cc1cc(CN2CCN(c3c(-c4ccc(F)cc4C4CCCNC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LPUJLYJKCDXJFM-UHFFFAOYSA-N
rxn:4:222363:223729,Cc1cc(CN2CCN(c3c(-c4cc(C(C)(C)C)ccc4OCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WOMYKXRFXTVESO-UHFFFAOYSA-N
rxn:4:222363:223813,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCC6(CC5)OCCO6)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UDXCYHYCVOUJAA-UHFFFAOYSA-N
rxn:4:188029:222423,CCOC(=O)Cn1c2c(sc1=O)C1c3cc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)ccc3OCC1CS2,LILWOPKWIFPVRU-UHFFFAOYSA-N
rxn:4:194304:222423,COc1c(-c2ccc3c(C(=O)C4CC4)c[nH]c3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HJCLDVUZGYDQLY-UHFFFAOYSA-N
rxn:4:194832:222423,COc1c(-c2ccc(C(=O)N3c4cc(C)ccc4-c4c(ssc4=S)C3(C)C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OADRJYUMJYTYKE-UHFFFAOYSA-N
rxn:4:200053:222423,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1cccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)c1,AYLBNEOAHVDYHZ-UHFFFAOYSA-N
rxn:4:207892:222423,COc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1C=c1sc2nc3cc(C)c(C)cc3n2c1=O,OJYRNCAXPBCAFU-UHFFFAOYSA-N
rxn:4:213449:223845,COc1ccccc1C1CC(c2c(C)nc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3c2-c2ccccc2)=NN1C(C)=O,SIZLNDWIVRHJOZ-UHFFFAOYSA-N
rxn:4:213450:222707,Cc1nc2ccc(-c3ccnc(CNC(=O)OC(C)(C)C)c3F)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,ZEEDWBITCLWZSB-UHFFFAOYSA-N
rxn:4:213450:222778,Cc1nc2ccc(-c3cncc(CNC(=O)OC(C)(C)C)c3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,ORQWMYLTADPEAH-UHFFFAOYSA-N
rxn:4:213450:224016,Cc1nc2ccc(-c3cn(S(=O)(=O)N(C)C)nc3-c3ccccn3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,ZCNJAGGMPLIONN-UHFFFAOYSA-N
rxn:4:214388:223137,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cncc(C5CCCNC5)c4)c(OC)cc12)CC3,MVXWHXSLGUTBLM-UHFFFAOYSA-N
rxn:4:218556:222423,CCN(CC)CCn1ncn(-c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2F)c1=O,XJVSLHZTULSJMI-UHFFFAOYSA-N
rxn:4:219189:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(OC)c(-c4nc(Cn5ccn6nc(-c7ccc(C)c(C)c7)cc6c5=O)c(C)o4)c3)c2)CC1,HILWLXBCVBDOMV-UHFFFAOYSA-N
rxn:4:219189:223842,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,MJYBYYRWCBNTKO-UHFFFAOYSA-N
rxn:4:219746:222630,Cc1cccc(Cn2c(=O)c3c(nc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)n3Cc3ccccc3Cl)n(C)c2=O)c1,VLRPNZXTXIAMKK-UHFFFAOYSA-N
rxn:4:221171:222423,CCc1ncnc(N2CCCC(COc3ncc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cn3)C2)c1F,AFNBVDBNKSSFEW-UHFFFAOYSA-N
rxn:4:221252:223995,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1,LVIQMMVACKOJDO-UHFFFAOYSA-N
rxn:4:221274:224290,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1,JSPXSSVQLSDBES-UHFFFAOYSA-N
rxn:4:221539:223835,Cc1cc(F)c(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1S(=O)(=O)N1CCC(C)CC1,FDAMGWWRQFPUDS-UHFFFAOYSA-N
rxn:4:221565:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n(Cc5ccco5)c(C)c(C)n34)n(C)c2=O)cc1,TUXQYLSBRPGKFP-UHFFFAOYSA-N
rxn:4:221756:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6c5ccccc5)n(C)c4=O)cc3)c(F)cc2C)CC1,MQZAJBSNVPOMFR-UHFFFAOYSA-N
rxn:4:221766:224398,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)c(=O)n2C)cc1,RDPATKLQTDRZBR-UHFFFAOYSA-N
rxn:4:221769:224398,Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)c(=O)n2C)c1,IYZDNUZITRBAAM-UHFFFAOYSA-N
rxn:4:221774:224398,Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(S(=O)(=O)N4CCCC4)c(C)cc3F)cc2)n(C)c1=O,GWIMUVQBXINUTP-UHFFFAOYSA-N
rxn:4:221784:224398,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)n(C)c2=O)c1,GLTBPILEYIWMDH-UHFFFAOYSA-N
rxn:4:221791:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5cccc6ccccc56)c(=O)n4C)cc3)c(F)ncc21,ZNHHWHIJSZPNOB-UHFFFAOYSA-N
rxn:4:221929:223845,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,VYANUVSUQKYZHF-UHFFFAOYSA-N
rxn:4:221929:223924,COc1cccc(Cl)c1-c1cccc(OC)c1-c1ccc(Cn2c(=O)c3c(nc4n(CCCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,IVIWMLCRVRBEJX-UHFFFAOYSA-N
rxn:4:221986:222423,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)CC1,DDIZWHJMNNNRAM-UHFFFAOYSA-N
rxn:4:221995:222715,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,PTFVVBZCUUSDRB-UHFFFAOYSA-N
rxn:4:222137:224218,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)ccc(OCc3ccccc3)c2F)cc1,XKOVJQLXKMNEFT-UHFFFAOYSA-N
rxn:4:222144:224664,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)cc(CN3CCN(C)CC3)c2)cc1,YXLSVPRWBFPUKB-UHFFFAOYSA-N
rxn:4:222362:222661,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(=O)Nc7ccccc7)ccc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,SDGRSQARHUHNJC-UHFFFAOYSA-N
rxn:4:222362:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2C)CC1,YMFYOPCOAIIHIK-UHFFFAOYSA-N
rxn:4:222362:224018,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(F)cc6S(=O)(=O)N6CCOCC6)cc6[nH]ncc56)nn4)cn3c2)CC1,FEKRDOYQBJYEBD-UHFFFAOYSA-N
rxn:4:222362:224286,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OCCN7CCOCC7)c(Cl)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,QATDINLWMPRNTD-UHFFFAOYSA-N
rxn:4:222362:224647,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(O[Si](C)(C)C(C)(C)C)ccc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,QHJDKMGKPAZTPC-UHFFFAOYSA-N
rxn:4:222362:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,QVRCWSJJNUFYBU-UHFFFAOYSA-N
rxn:4:191190:222423,COc1c(-c2ccc(C3c4c(oc5cc(C)c(C)cc5c4=O)C(=O)N3Cc3ccco3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HUFXLHQKKHVZSX-UHFFFAOYSA-N
rxn:4:201174:222466,CCCOc1ccc(C2c3c(oc4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1,OTGWXYYCWNPTSS-UHFFFAOYSA-N
rxn:4:203242:222423,COc1c(-c2cnc(-c3ccc(OC(F)(F)F)cc3)cn2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VVWALNCXBKBTIZ-UHFFFAOYSA-N
rxn:4:207900:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2cccc(Cl)c2)N(c2cc(C)on2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YZCIGGLIMOPFLG-UHFFFAOYSA-N
rxn:4:212841:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)c(-c4nc(CSc5nc6ccccc6c(=O)n5C5CCCC5)c(C)o4)c3)c(F)cc2C)CC1,LALILRXXHRKSNB-UHFFFAOYSA-N
rxn:4:213448:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(C)c(C5=NN(C(C)=O)C(c6ccc(OC)cc6)C5)c(-c5ccccc5)c4c3)c(F)cc2C)CC1,BSPRNKFWGREELS-UHFFFAOYSA-N
rxn:4:213450:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2nc(C)c(C3=NN(C(=O)C(C)C)C(c4ccccc4F)C3)c(-c3ccccc3)c2c1,HUPOONRHTSCFGJ-UHFFFAOYSA-N
rxn:4:213450:222654,Cc1nc2ccc(-c3ccc(Cl)c(C(=O)NC4CCCCC4)c3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,PWNHCURROYSXJQ-UHFFFAOYSA-N
rxn:4:213451:224978,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(-n6ccnc6)ccc5C5CC5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,VZIQLWQUGPTSEC-UHFFFAOYSA-N
rxn:4:213480:222846,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(C5CCCNC5)ccc4C#N)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,IGEJZUYFUKFOGM-KFWNXECCSA-N
rxn:4:218773:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(-n4c(SCC(=O)N5CCN(c6ccccc6)CC5)nc5c(c4=O)SCC5)cc3)c2)CC1,VRMIRKSAXMIQJI-UHFFFAOYSA-N
rxn:4:218785:223479,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc1-2,MGMQAXOHMFRDKG-UHFFFAOYSA-N
rxn:4:219163:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(CSc2nc(CC(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1,AZRGWDCHIISAAC-UHFFFAOYSA-N
rxn:4:219189:223136,COc1ccc(-c2ccncc2C2CCCNC2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,JOVBCNPUIHMQFF-UHFFFAOYSA-N
rxn:4:221193:222423,COc1c(-c2cnc(OCC3CCCN(C(=O)N4CCN(C)CC4)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SEYZGKUGSMAITA-UHFFFAOYSA-N
rxn:4:221274:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCCc5ccccc5)c(=O)n4C)cc3)c(F)cc2C)CC1,PJURNQRKTUYPOF-UHFFFAOYSA-N
rxn:4:221274:224405,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)cc1,PZQLLECANLFCBH-UHFFFAOYSA-N
rxn:4:221275:222602,CC(C)Cc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)c(S(=O)(=O)NC(C)(C)C)s1,NHGUIZRXFLACKZ-UHFFFAOYSA-N
rxn:4:221567:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCc4ccccc4)c(=O)n3C)cc2)CC1,ZYNCBARVZPVDPN-UHFFFAOYSA-N
rxn:4:221574:225594,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4CN4CCCC4)cc3)c(=O)n2C)cc1,ZHUXILUFZUXIQX-UHFFFAOYSA-N
rxn:4:221766:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(C)cc3)n(C)c2=O)cc1,RSBOKKWDJWQPAG-UHFFFAOYSA-N
rxn:4:221776:224376,CC1CN(c2ccc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,GHUSYBZCSUGKBK-UHFFFAOYSA-N
rxn:4:221777:224011,CC1CN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,LGBNKDPTTHFRAU-UHFFFAOYSA-N
rxn:4:221782:225594,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4CN4CCCC4)cc3)c(=O)n2C)c(C)c1,LBVJYKOHIGWTGV-UHFFFAOYSA-N
rxn:4:221790:225594,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(F)cc3CN3CCCC3)cc2)n(C)c1=O,VLTGQUHZPZXJFD-UHFFFAOYSA-N
rxn:4:221791:225594,Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(F)cc2CN2CCCC2)cc1,NOOVZFCQQMLWNH-UHFFFAOYSA-N
rxn:4:221793:224398,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCCC1,FCSVKEYEGDGWFR-UHFFFAOYSA-N
rxn:4:221990:222729,CCCc1cc(-c2ccc(OC)c(-c3nnc4n(CCC(C)C)c5c(=O)n(C)c(=O)n(C)c5n34)c2)cc(C2CCCNC2)n1,HVXKRJCLZSFCMT-UHFFFAOYSA-N
rxn:4:222144:224778,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)cc(OC3CCOCC3)cc2F)cc1,QJLYKFSNQAZMHI-UHFFFAOYSA-N
rxn:4:222362:224655,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(O[Si](C)(C)C(C)(C)C)cc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,NRXGMRNJWAJELH-UHFFFAOYSA-N
rxn:4:222362:227149,Cc1ccc2c(cnn2C)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,GPJNRCNTSWHCCK-UHFFFAOYSA-N
rxn:4:222363:222651,Cc1cc(CN2CCN(c3c(-c4cc(C(=O)NC5CCCCC5)ccc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UGBDZHYNVYZJSU-UHFFFAOYSA-N
rxn:4:222363:223659,Cc1cc(CN2CCN(c3c(-c4cnn(CC5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HZNITMWKEPXLPS-UHFFFAOYSA-N
rxn:4:222363:223828,CCN1CCN(c2cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)cc(C(F)(F)F)c2)CC1,USLGYFUHFDWSNV-UHFFFAOYSA-N
rxn:4:222363:224855,Cc1ccc(-c2ccc(C)cc2-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc1,YOMBNTUZLQKHQS-UHFFFAOYSA-N
rxn:4:201184:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccccc3)N(CCCN3CCOCC3)C5=O)cc2F)CC1,LMWVKQMRPRMKJM-UHFFFAOYSA-N
rxn:4:212767:223845,COCCn1c(=NC(=O)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)s2)sc2cc(S(N)(=O)=O)ccc21,SAJUTLOEIYBUTB-UHFFFAOYSA-N
rxn:4:212845:222524,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCC(O)CC5)c4)n(Cc4ccco4)c(=O)c23)C1,HJZAEBYYOQBNBK-UHFFFAOYSA-N
rxn:4:212846:223841,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)c(C)cc5F)cc4)n(Cc4ccco4)c(=O)c23)C1,AXUBIIISPLMRCB-UHFFFAOYSA-N
rxn:4:213445:222461,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6c(F)cc(F)c7sc(NC(=O)OC(C)(C)C)nc67)c(OC)ccc5c4)nc23)cc1OC,HQXBNVICUQXCJH-UHFFFAOYSA-N
rxn:4:213450:224310,Cc1nc2ccc(-c3cc(-n4cccn4)cc(-n4cccn4)c3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,WTSWOXJYPJIVNB-UHFFFAOYSA-N
rxn:4:213451:223588,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cnc(N6CCN(C(=O)OC(C)(C)C)CC6)c(C)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,HTURUVFSQXBIQK-UHFFFAOYSA-N
rxn:4:213451:224100,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccccc5OCCN5CCC(C)CC5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LYPMHLFUQZAQMY-UHFFFAOYSA-N
rxn:4:213475:222850,COc1cc(-c2cc(C3CCNCC3)ccc2C#N)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,CIFCTPRYVADVAQ-NZQBQMMGSA-N
rxn:4:214250:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(Cn4c(=O)n(Cc5ccc(Cl)cc5)c(=O)c5ncccc54)cc3)c(F)ncc21,RFKBHNIYHLCNNA-UHFFFAOYSA-N
rxn:4:214329:223845,CCCN1C(=O)C(=Cc2nc3ccccc3c(=O)n2CC)c2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)ccc21,ABQPDDJBMYUYBM-UHFFFAOYSA-N
rxn:4:214388:222423,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)c(OC)cc12)CC3,SFSGHYRZZOKULO-UHFFFAOYSA-N
rxn:4:215240:222423,COc1c(-c2ccc(C3=NN(c4ccccc4)C4C(=O)N(c5ccc6c(c5)OCCO6)C(=O)C34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,AQSQVHLQITZOJM-UHFFFAOYSA-N
rxn:4:218774:223134,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cnccc6C6CCCNC6)ccc5OC)oc4C)ccn3n2)cc1,ZFTQJAWRGMFZAX-UHFFFAOYSA-N
rxn:4:219189:223999,COc1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,XJYVCNYRGYRIAL-UHFFFAOYSA-N
rxn:4:219773:222524,CCn1cc(-c2nc(-c3cccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)c3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21,OERWPLXTWUEJJU-UHFFFAOYSA-N
rxn:4:220259:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(Cn4c(=O)c5c(nc6oc(-c7ccccc7)cn65)n(C)c4=O)cc3)c(F)ncc21,HPSRJSFYBSSBMC-UHFFFAOYSA-N
rxn:4:221274:225593,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)cc(CN3CCCC3)c2)cc1,LFJSBJQAWKINHS-UHFFFAOYSA-N
rxn:4:221277:225123,Cn1c(=O)n(Cc2ccc(-c3ccncc3OCC3CCCCO3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,RHHRDMRKJWPBGG-UHFFFAOYSA-N
rxn:4:221538:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(Cn2c(CN3CCCCC3C)nc3c2c(=O)n(C)c(=O)n3C)cc1,SHPBAIRCPNQMOQ-UHFFFAOYSA-N
rxn:4:221539:224193,CCN1CCN(Cc2cc(-c3ccc(Cn4c(CN5CC(C)OC(C)C5)nc5c4c(=O)n(C)c(=O)n5C)cc3)ccc2F)CC1,ZZNSODHBWYCDKY-UHFFFAOYSA-N
rxn:4:221566:224398,CCc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)c(=O)n2C)cc1,KYCMCZOFXIMYOD-UHFFFAOYSA-N
rxn:4:221771:223845,CC1CN(c2ccccc2)c2nc3c(c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4)c(=O)n3C)n2C1,RREYQEGAPLYLFR-UHFFFAOYSA-N
rxn:4:221784:225594,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccc(F)cc4CN4CCCC4)cc3)n(C)c2=O)c1,IXIVHTVPTGUHBJ-UHFFFAOYSA-N
rxn:4:221995:223105,CNS(=O)(=O)c1cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)c(F)cc1C,MCXCFVQTADKERI-UHFFFAOYSA-N
rxn:4:222019:223497,CC(c1ccc(-c2ccc(-n3cnnn3)cc2C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,PCKGJHUDVNCGDU-UHFFFAOYSA-N
rxn:4:222044:222423,COc1c(-c2ccc(S(=O)(=O)N3CCN(c4ccc(-n5ccc(C)n5)nn4)CC3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HDTPBDVQCSFSLK-UHFFFAOYSA-N
rxn:4:222137:224214,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)ccc2OCc2ccc(Cl)cc2)cc1,UBMGZNZMBSEGEM-UHFFFAOYSA-N
rxn:4:222143:223666,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cccc(COc3ccc(OC(F)(F)F)cc3)c2)cc1,KTOIILDOEQMGMU-UHFFFAOYSA-N
rxn:4:222205:223753,Cc1ccc(-c2nnc3n(Cc4ccc(-c5ccc(C)c(OCCCN6CCN(C)CC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,OEBRJDZACSHKKP-UHFFFAOYSA-N
rxn:4:222362:222534,Cc1cccc(NC(=O)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)c1C,PMWIQPFURKCSTA-UHFFFAOYSA-N
rxn:4:222363:223708,Cc1cc(CN2CCN(c3c(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NWASDPAEQIIKDI-UHFFFAOYSA-N
rxn:4:222363:223807,Cc1cc(CN2CCN(c3c(-c4ccc(OCc5cccc(C(F)(F)F)c5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UJQCHGMUNJYKFN-UHFFFAOYSA-N
rxn:4:222363:223920,Cc1cc(CN2CCN(c3c(-c4ccc(C(=O)N(C)C5CCCCC5)cc4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AQKYSUWDBRBWRW-UHFFFAOYSA-N
rxn:4:222363:225378,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)cc4S(=O)(=O)N(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AXSXDGKAVGLARC-UHFFFAOYSA-N
rxn:4:222363:227536,CCOc1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c(F)cc1F,MTOMRSPUVWAXAL-UHFFFAOYSA-N
rxn:4:200054:222538,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1,GSGHYAQTQUDJMW-UHFFFAOYSA-N
rxn:4:201186:223527,CCCOc1ccc(C2c3c(oc4ccc(-c5ccc(F)cc5CN5CCN(C(=O)OC(C)(C)C)CC5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,RVGLIBYAVRJTER-UHFFFAOYSA-N
rxn:4:201188:222423,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1cccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)c1,TUIIIPZWGGBTOK-UHFFFAOYSA-N
rxn:4:202760:223570,COc1cc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c(=O)oc12,IVLWLQZPJRQZDJ-UHFFFAOYSA-N
rxn:4:212727:222423,COc1c(-c2ccc(-c3cnc(SCC(=O)N4CCCCC4)n3-c3ccccc3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MNCMVJUGJLQXGV-UHFFFAOYSA-N
rxn:4:212846:223845,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4)n(Cc4ccco4)c(=O)c23)C1,BCRGDABROBTLMV-UHFFFAOYSA-N
rxn:4:213359:222423,COc1c(-c2ccc(-n3c(SCC(=O)N4CCCC4)nc4c(c3=O)SCC4)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XUGDFDKIXKATRJ-UHFFFAOYSA-N
rxn:4:213445:223840,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6ccc(OC)c(S(=O)(=O)N7CCN(C)CC7)c6)c(OC)ccc5c4)nc23)cc1OC,MDLRRSDHIYIWDR-UHFFFAOYSA-N
rxn:4:213450:223944,Cc1nc2ccc(-c3c(C)c(Cl)cc4c3cnn4C3CCCCO3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,CXSLUMFVZJXYLV-UHFFFAOYSA-N
rxn:4:213450:226330,Cc1nc2ccc(-c3ccc(C(C)N4CCCC4)s3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,RLLGSRLEJZCABN-UHFFFAOYSA-N
rxn:4:213451:222623,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C(C)CC)nc(C6CCNCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,ZVPNPECFYOCYLH-UHFFFAOYSA-N
rxn:4:213451:222718,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCNCC6)ccc5C)cc43)C(=O)N2c2ccc(CC)cc2)cc1,KGHXDCBTUFEDON-UHFFFAOYSA-N
rxn:4:213451:223525,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,TWNWDKQAGKRECF-UHFFFAOYSA-N
rxn:4:213459:222423,COC(=O)CC[C@@H]1C=C(c2ccccn2)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc2-n2c(C)cnc21,UJEGSRFEOSIXFL-AREMUKBSSA-N
rxn:4:213480:222423,COc1c(-c2cncc(C(=O)OC[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(c56)[C@@]4(OC)C3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SWJYQJXKOQUJOG-HCXKVUEASA-N
rxn:4:213481:222423,COc1c(-c2cncc(C(=O)OCC3CN(C)C4Cc5cn(C)c6cccc(c56)C4(OC)C3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KSGXVETVKCJGTE-UHFFFAOYSA-N
rxn:4:213481:222537,COC12CC(COC(=O)c3cncc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,LZRQHUYGNIZIQQ-UHFFFAOYSA-N
rxn:4:214388:222616,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(C5CCNCC5)cc(C(C)(C)C)c4)c(OC)cc12)CC3,NLURJQVTORALBJ-UHFFFAOYSA-N
rxn:4:214388:223784,CCN1CCN(CCOc2ccc(-c3cc4c(cc3OC)c(C(=O)N3CCc5[nH]c6ccc(OC)cc6c5C3)c(C)n4C)cc2F)CC1,DXWSITLZRMVLBH-UHFFFAOYSA-N
rxn:4:215283:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3oc4c(c(=O)c3c2)C(c2ccc([N+](=O)[O-])cc2)N(c2cccc(C)n2)C4=O)CC1,BNPBNXQAZRLTKM-UHFFFAOYSA-N
rxn:4:215310:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(C3C4=C(OC(C)=O)c5ccccc5C4=Nc4c3c(=O)n(C)c(=O)n4C)cc2)CC1,ZMFFJZUMDNVUMR-UHFFFAOYSA-N
rxn:4:221567:224398,Cc1cc(F)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCCC1,NWWTYVXVELJMJQ-UHFFFAOYSA-N
rxn:4:221570:222742,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cc3)c(=O)n2C)c1,RNQLHDYEVNLYBP-UHFFFAOYSA-N
rxn:4:221744:222423,COc1c(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CC(C)=O)c(=O)n(C)c5nc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,WHCPNAKHEMDLSC-UHFFFAOYSA-N
rxn:4:221773:223845,Cc1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)n(C)c2=O)cc1,MSWQXIHDFQLPIR-UHFFFAOYSA-N
rxn:4:221782:222612,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cc3)c(=O)n2C)c(C)c1,GARRAGOKYZNMJH-UHFFFAOYSA-N
rxn:4:221782:225592,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)ccc4CN4CCCC4)cc3)c(=O)n2C)c(C)c1,PVTHXRZSLBPGOY-UHFFFAOYSA-N
rxn:4:221783:222466,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c1,QKBUTUUKCDSTRV-UHFFFAOYSA-N
rxn:4:221784:224015,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(S(=O)(=O)N5CCOCC5)c(C)cc4F)cc3)n(C)c2=O)c1,AMNQPNYSZCXCPF-UHFFFAOYSA-N
rxn:4:221784:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4cc(C)ccc4C)c(=O)n3C)cc2)c(F)cc1C,VHNAOQCDVLEBRJ-UHFFFAOYSA-N
rxn:4:221995:225050,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(F)cc(N6CCC(C)CC6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,ZSFCCXFGWVHUBW-UHFFFAOYSA-N
rxn:4:222124:224194,CCN1CCN(Cc2ccc(-c3cccc(-c4noc(CN5N=NC6C(=O)N(c7ccc8c(c7)CCC8)C(=O)C65)n4)c3)cc2Cl)CC1,DBSXSUVEDQQEBA-UHFFFAOYSA-N
rxn:4:222137:228442,COc1cc(Cl)c(F)cc1-c1ccc(-n2c(C)cn3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)cc1,GGKLTVULZWYNMA-UHFFFAOYSA-N
rxn:4:222362:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)CC1,MICNACOTSIBHHC-UNWRIRMBSA-N
rxn:4:222363:228275,COc1c(F)cc(C)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,ADHPQMXFSDXCPD-UHFFFAOYSA-N
rxn:4:201189:222621,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)cc1,HFEILYSWBAJWFO-UHFFFAOYSA-N
rxn:4:204843:223570,Cc1cc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)ccc1-c1c(F)ncc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,MFIQAUMKXANACN-UHFFFAOYSA-N
rxn:4:212682:222423,COc1c(-c2ccc(-c3cnc(SCC(=O)N4CCCC4)n3-c3cccc(Cl)c3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CUDGZKDXVXUHBF-UHFFFAOYSA-N
rxn:4:212805:222423,CCN(CC)S(=O)(=O)c1ccc(C(=O)N=c2sc3cc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)ccc3n2C)cc1,MMRZVDNESCMPPS-UHFFFAOYSA-N
rxn:4:212842:222423,COc1c(-c2ccc3[nH]cc(CCc4nc5ccccc5c(=O)n4-c4cccc(OC(C)C)c4)c3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OKGJQSDGJLPOCN-UHFFFAOYSA-N
rxn:4:212846:222447,COc1ccc2c(c1-c1ccc(CSc3nc4sc5c(c4c(=O)n3Cc3ccco3)CCN(C(C)=O)C5)cc1)N=C(NC(=O)OC(C)(C)C)C2,RAUQBKKADWBHHK-UHFFFAOYSA-N
rxn:4:212846:222524,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCC(O)CC5)cc4)n(Cc4ccco4)c(=O)c23)C1,RUSAWEVOJMYIKY-UHFFFAOYSA-N
rxn:4:213162:222423,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cn3)CC2)cc1F,RNQPMRLYAOFZJB-UHFFFAOYSA-N
rxn:4:213361:222423,C#CCn1c(=NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,XHRLSZNRZBDGRF-UHFFFAOYSA-N
rxn:4:213397:222423,COc1c(-c2ccc(-n3c(SCC(=O)N4CCc5ccccc54)nc4c(c3=O)SCC4)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OWTDTNFKRJMXSW-UHFFFAOYSA-N
rxn:4:213450:222524,Cc1nc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,FEJVXKGEFUIFAV-UHFFFAOYSA-N
rxn:4:214084:222423,COc1c(-c2ccc(-c3nc(S(=O)(=O)N4CCCN(C)CC4)c(-c4ccc(Cl)cc4)o3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LTBCYIWJCNUDRC-UHFFFAOYSA-N
rxn:4:214161:222423,COc1nc(N(C)Cc2ccc3c(c2)OCCO3)ncc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,CYEVESKQRZBLGY-UHFFFAOYSA-N
rxn:4:214294:222423,COc1c(-c2cnc(OCC3CCCN(C4Cc5ccccc5C4)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RHGIJDNMAUOMDK-UHFFFAOYSA-N
rxn:4:214361:222423,COc1c(-c2ccc3c(c2)nc([C@@H]2CCCC(=O)N2c2ccc(F)c(F)c2)n3[C@H]2CC[C@H](OC)CC2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KLQGJLGPLVPEHB-CSUQWLJZSA-N
rxn:4:214388:222462,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)c(OC)cc12)CC3,HHKDAMCJXAHBFU-UHFFFAOYSA-N
rxn:4:214388:223027,CCCNC(=O)c1cc(F)cc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c1,FYBMMGSAPUNSTD-UHFFFAOYSA-N
rxn:4:214388:224300,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C(=O)N5CCSCC5)cc4OC)c(OC)cc12)CC3,KVOBDSXZVKVHTE-UHFFFAOYSA-N
rxn:4:214388:225139,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(-n5cnc(C)c5)c(C#N)c4)c(OC)cc12)CC3,VXBRHTUBOYCXRU-UHFFFAOYSA-N
rxn:4:214388:225957,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(-c5cncnc5)nc4F)c(OC)cc12)CC3,XFVHRANIHJKQFP-UHFFFAOYSA-N
rxn:4:215310:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4C5=C(OC(C)=O)c6ccccc6C5=Nc5c4c(=O)n(C)c(=O)n5C)cc3)c3ccccc23)CC1,WZNPHIJDTJIGLC-UHFFFAOYSA-N
rxn:4:218588:222423,COc1c(-c2cnc(OCC3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,INDGHQUWNJEJRJ-UHFFFAOYSA-N
rxn:4:221273:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6CCc5ccccc5)n(C)c4=O)cc3)c(F)cc2C)CC1,OOJLXXBCOBKFFN-UHFFFAOYSA-N
rxn:4:221274:222465,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1,NGWNRCUDTLLYGV-UHFFFAOYSA-N
rxn:4:221274:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)CC1,QFEFSGHRGHRUGC-UHFFFAOYSA-N
rxn:4:221565:223841,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n(Cc6ccco6)c(C)c(C)n45)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1,RETUQDIHNADGOV-UHFFFAOYSA-N
rxn:4:221776:224015,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCOCC1,XNEVQMQHEMBSJH-UHFFFAOYSA-N
rxn:4:221778:223570,CC1CN(c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1,GDNBLGSKZGNEBV-UHFFFAOYSA-N
rxn:4:221781:225594,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4CN4CCCC4)cc3)c(=O)n2C)c1C,XPWCLYBFVCETAQ-UHFFFAOYSA-N
rxn:4:221784:222824,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(S(=O)(=O)NC(C)C)c(C)cc4F)cc3)n(C)c2=O)c1,ZGYDFVWQQLAJMC-UHFFFAOYSA-N
rxn:4:221995:223668,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(OCc6ccccc6)cc5OC(F)(F)F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,OHASYFVDCHDTOX-UHFFFAOYSA-N
rxn:4:221995:223741,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(CN6CCCc7ccccc76)ccc5F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,MWDXKTMZUSADEK-UHFFFAOYSA-N
rxn:4:222137:224230,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(Cl)c(F)c(OCc3ccccc3)c2)cc1,RFVWGAVUNGPVNJ-UHFFFAOYSA-N
rxn:4:222144:224665,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(F)cc2CN2CCN(C)CC2)cc1,NKJXOYDQPSVRDH-UHFFFAOYSA-N
rxn:4:222362:224307,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6c(F)cc(O[Si](C)(C)C(C)(C)C)cc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,BWHVAISUAFQCBZ-UHFFFAOYSA-N
rxn:4:222363:225289,Cc1cc(CN2CCN(c3c(-c4cc(C(F)(F)F)ccc4OC(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RCIANCMRKHUZGP-UHFFFAOYSA-N
rxn:4:185647:222423,COc1c(-c2ccc3c(c2)CC[C@H]2N(C(=O)OC(C)(C)C)CC[C@@]32S(=O)(=O)c2ccc(F)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OEHIXXPADUHAFU-GJSZZFLHSA-N
rxn:4:188026:222621,CC(C)Cc1cc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(C)C)cc2)N(CC2CCCO2)C4=O)cc(C2CCCNC2)n1,DQNXXFBXTAMYDK-UHFFFAOYSA-N
rxn:4:201186:223523,CCCOc1ccc(C2c3c(oc4ccc(-c5ccc(S(=O)(=O)N6CCN(CC)CC6)c6ccccc56)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,DAEKUEYFOZFWFM-UHFFFAOYSA-N
rxn:4:212754:222423,COC(=O)Cn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,UIVIBLDEXDAZJG-UHFFFAOYSA-N
rxn:4:212846:222956,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5ccc(C)cc5C5CCCNC5)cc4)n(Cc4ccco4)c(=O)c23)C1,IJWXWSSPAIHODU-UHFFFAOYSA-N
rxn:4:213030:222423,COc1c(-c2ccc(-n3nnc(C(=O)OCc4ccc(F)cc4)c3C)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MDHRESOOVHHXQC-UHFFFAOYSA-N
rxn:4:213451:224771,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(C)c(S(=O)(=O)N6CCCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,QBOMUVMHJNSWNL-UHFFFAOYSA-N
rxn:4:213460:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccncc2)N(CCCN(C)C)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SAKRNSJNAHSPNS-UHFFFAOYSA-N
rxn:4:213475:224017,COc1cc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,VVCOFAQMTYWJFB-GVBKHFFQSA-N
rxn:4:214051:222423,COc1c(-c2nc(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c(C(C)C)s2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GDUHHINOQLPBBV-UHFFFAOYSA-N
rxn:4:214252:222423,COc1c(-c2ccc(N3C(=NC(=O)c4cccc([N+](=O)[O-])c4)SC4CS(=O)(=O)CC43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BBZRPJRDNACOPH-UHFFFAOYSA-N
rxn:4:214303:222423,COc1c(-c2ccc(Oc3nc4ccccn4c(=O)c3C=C3SC(=S)N(C(C)C)C3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,WDJFIIBTOYRHFK-UHFFFAOYSA-N
rxn:4:214359:223816,CC(=O)N1N=C(c2c(C)nc3ccc(-c4cc5c(Cl)ccnc5n4COCC[Si](C)(C)C)cc3c2-c2ccccc2)CC1c1ccc(F)cc1,XUHKDKMGNVIRGU-UHFFFAOYSA-N
rxn:4:214370:222423,COCCn1c(-c2cccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)c2)nc2c(c(=O)c3ccccc3n2C)c1=O,KYLGZRBVJOQGCC-UHFFFAOYSA-N
rxn:4:214388:222461,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4c(F)cc(F)c5sc(NC(=O)OC(C)(C)C)nc45)c(OC)cc12)CC3,KLGSXRDPROBCNX-UHFFFAOYSA-N
rxn:4:214388:223532,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)c(OC)cc12)CC3,HQPLOICONAZGNN-UHFFFAOYSA-N
rxn:4:214388:223816,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc5c(Cl)ccnc5n4COCC[Si](C)(C)C)c(OC)cc12)CC3,VYWHKRPYDFOROF-UHFFFAOYSA-N
rxn:4:215154:222423,COc1c(-c2cc(C(C)C)c(S(=O)(=O)n3nnc4ccccc43)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JYBSWTZXIZRAPG-UHFFFAOYSA-N
rxn:4:221275:227298,CC1CN(c2ccc(-c3cc(F)ccc3CN(C)C)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,IMOMWTJKCPNEFW-UHFFFAOYSA-N
rxn:4:221277:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(Oc4ccccc4)cc3)n(C)c2=O)cc1,AYJGJSCMUDNGHU-UHFFFAOYSA-N
rxn:4:221569:223845,COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)cc1,LRJWZMNGJZUSMF-UHFFFAOYSA-N
rxn:4:221777:224665,CC1CN(c2ccc(-c3ccc(F)cc3CN3CCN(C)CC3)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,JAZOUGFGPTZWMO-UHFFFAOYSA-N
rxn:4:221781:222612,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cc3)c(=O)n2C)c1C,FKZCNFGXXVQQHA-UHFFFAOYSA-N
rxn:4:221781:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6c5cccc(C)c5C)n(C)c4=O)cc3)c(F)cc2C)CC1,RMYSRMQSDHZTOL-UHFFFAOYSA-N
rxn:4:221781:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3cccc(C)c3C)n(C)c2=O)cc1,UXETYHRDIWTIIQ-UHFFFAOYSA-N
rxn:4:221781:225592,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)ccc4CN4CCCC4)cc3)c(=O)n2C)c1C,PAJUWRKWHLZSQA-UHFFFAOYSA-N
rxn:4:221784:225592,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(F)ccc4CN4CCCC4)cc3)n(C)c2=O)c1,NNUHCMORXFSITN-UHFFFAOYSA-N
rxn:4:221787:225592,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)ccc4CN4CCCC4)cc3)c(=O)n2C)c1,HEOZDFOBVBGMQG-UHFFFAOYSA-N
rxn:4:221929:224302,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c5F)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,HMBQRHMODCXUAF-UHFFFAOYSA-N
rxn:4:221988:223578,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cnc(N5CCCCC5)nc4OCc4ccccc4)ccc3OC)nnc12,BSHVYLAFABCFMS-UHFFFAOYSA-N
rxn:4:221990:222730,CCCc1cc(-c2ccc(OC)c(-c3nnc4n(CCC(C)C)c5c(=O)n(C)c(=O)n(C)c5n34)c2)cc(C2CCNCC2)n1,OLWHVMDALXEMNP-UHFFFAOYSA-N
rxn:4:222137:224207,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(OCc3cccc(F)c3F)cc2)cc1,HQECUBMDHQLRLI-UHFFFAOYSA-N
rxn:4:222138:227674,COc1c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCOCC4)c(=O)n3C)cc2)cc(C)c(F)c1F,WBQCPXCMDCBJGE-UHFFFAOYSA-N
rxn:4:222142:224206,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)ccc2OCc2ccc(F)cc2)cc1,SZCRVEUFBRJIIB-UHFFFAOYSA-N
rxn:4:222206:222538,Cn1c(=O)c2c(nc3n2CC(c2ccc(F)cc2)=NN3Cc2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2)n(C)c1=O,DBIFDOLLXJDTOQ-UHFFFAOYSA-N
rxn:4:222362:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,DYVUREJKZSSYBR-UHFFFAOYSA-N
rxn:4:222362:223806,COc1ccc(COc2c(F)ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2F)cc1,PGSONYNNEDFIFQ-UHFFFAOYSA-N
rxn:4:222363:223991,Cc1cc(CN2CCN(c3c(-c4c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NRJBDCYGEVOBPO-UHFFFAOYSA-N
rxn:4:222363:227148,Cc1cc(CN2CCN(c3c(-c4cc5cnn(C)c5cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VNGVXVARHPMRRU-UHFFFAOYSA-N
rxn:4:185532:222423,COc1c(-c2ccc(S(=O)(=O)N(C(=O)c3ccc(Cl)cc3)c3ccc4oc(=O)sc4c3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CFZWAMIZWMVGJT-UHFFFAOYSA-N
rxn:4:190697:223154,CCCCN1C(=O)C(=O)c2cc(-c3ccc(F)c(C(=O)NCC)c3)ccc21,HVLJPHSTENYKOR-UHFFFAOYSA-N
rxn:4:190948:222423,COC(=O)C1=CN(c2ccc(F)c(F)c2)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc2S1(=O)=O,IGUJEPHPNNRRJI-UHFFFAOYSA-N
rxn:4:204769:222423,COc1c(-c2ccc(C3c4cccn4CCN3S(=O)(=O)c3cccc(F)c3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CTFXPDBLXSGEAT-UHFFFAOYSA-N
rxn:4:204825:222423,COc1c(-c2ccc(CN3C(=O)N(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc43)c(F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RQTXXIKYYDTFGE-UHFFFAOYSA-N
rxn:4:212747:222423,COc1c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCOCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZNAGONKZBZJSJK-UHFFFAOYSA-N
rxn:4:212756:222423,COCCn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,AKGYHANUKXPKHG-UHFFFAOYSA-N
rxn:4:212809:222423,COc1c(-c2ccc3c(c2)sc(=NC(=O)CSCC(=O)N2CCCc4ccccc42)n3C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LGSSYYDPWXCNHD-UHFFFAOYSA-N
rxn:4:212829:222423,COc1c(-c2ccc3[nH]c(C(=O)N(C)C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MONDIUKZFBHAMK-UHFFFAOYSA-N
rxn:4:213026:222423,COc1c(-c2ccc(-n3nnc(C(=O)OCc4cccc(Cl)c4)c3C)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,WTSVEDDKHVROFY-UHFFFAOYSA-N
rxn:4:213261:222423,COc1c(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCOCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZGCFRGDYIIJPHA-UHFFFAOYSA-N
rxn:4:213405:222423,COc1c(-c2ccc(-n3c(C)cc(C(=O)CSc4ncnc5sc(C)c(C)c45)c3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CBNRJPOAFGFCMW-UHFFFAOYSA-N
rxn:4:213423:222423,COc1c(-c2ccc(N3CC(c4nc5ccccc5n4CCC(C)C)CC3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FPSNFCRMZXNATH-UHFFFAOYSA-N
rxn:4:213445:222854,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(C7CCCNC7)ccc6OC)c(OC)ccc5c4)nc23)cc1OC,AIMTVZMFOVBEKR-UHFFFAOYSA-N
rxn:4:213450:223993,Cc1cc(-c2ccc3nc(C)c(C4=NN(C(=O)C(C)C)C(c5ccccc5F)C4)c(-c4ccccc4)c3c2)ccc1S(=O)(=O)N1CCN(C)CC1,AOUXCAMRSKZEMK-UHFFFAOYSA-N
rxn:4:213451:222541,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(C(=O)NCCN6CCCCC6)cc5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,INVVMKZUDADKRJ-UHFFFAOYSA-N
rxn:4:213451:223953,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(F)cc(N6CCN(CCOC)CC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,CABWCBHDJPPKIT-UHFFFAOYSA-N
rxn:4:213451:225753,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C(=O)OC)cnc5C5CC5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,VGXQXEVZVLDYHQ-UHFFFAOYSA-N
rxn:4:213471:222423,COc1c(-c2ccc(S(=O)(=O)N3CCN(CCN4C(=O)C5C6C=CC(C6)C5C4=O)CC3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OQPSMVICZJWJDK-UHFFFAOYSA-N
rxn:4:213970:222423,COc1c(-c2cnc(OC3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BGPYZPGDASLHOO-UHFFFAOYSA-N
rxn:4:214388:222442,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(S(=O)(=O)NC5CCCC5)c5ccccc45)c(OC)cc12)CC3,CBWPUTLPVPMPSS-UHFFFAOYSA-N
rxn:4:214388:222473,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C(=O)NCc5ccccc5)cc4OC)c(OC)cc12)CC3,FDWUPRCJMVKYRI-UHFFFAOYSA-N
rxn:4:214388:223060,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(Cl)nc(C5CCNCC5)c4)c(OC)cc12)CC3,PPJFIMFYQGWYPN-UHFFFAOYSA-N
rxn:4:214388:223547,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c(OC)cc12)CC3,QXXQRSLAAGKVBY-UHFFFAOYSA-N
rxn:4:214388:226480,CCCCOc1ccc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c(F)n1,HSRKRPFEWCZRHX-UHFFFAOYSA-N
rxn:4:218774:223136,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6ccncc6C6CCCNC6)ccc5OC)oc4C)ccn3n2)cc1,WOABPFAZHFUDRP-UHFFFAOYSA-N
rxn:4:221233:223570,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)c4)CC3)ccc2n1,GBDMTRMJISESOJ-UHFFFAOYSA-N
rxn:4:221252:223827,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C(F)(F)F)ccc2N2CCN(CC)CC2)cc1,QONSAEKFBWJKAT-UHFFFAOYSA-N
rxn:4:221274:222524,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1,LIFVDMUJTVVSJS-UHFFFAOYSA-N
rxn:4:221274:224398,Cc1cc(F)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCCC1,OOKNPQNVWFYKBQ-UHFFFAOYSA-N
rxn:4:221781:225295,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccccc4S(=O)(=O)N4CCCC4)cc3)c(=O)n2C)c1C,ANZMGXIBTZHYSA-UHFFFAOYSA-N
rxn:4:221782:224950,COc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)c(CN2CCCC2)c1,SNIZRXQZTFZWCN-UHFFFAOYSA-N
rxn:4:221986:222440,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(S(=O)(=O)NCc4ccco4)cc3C(F)(F)F)cc2)CC1,VRRRZRTVOBVYGT-UHFFFAOYSA-N
rxn:4:222137:224224,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccccc2OCc2ccc(F)cc2F)cc1,XYGYXOPQXPLYLK-UHFFFAOYSA-N
rxn:4:222137:224238,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(F)c(OCc3ccccc3)c2F)cc1,FZJMOYGCENZGKW-UHFFFAOYSA-N
rxn:4:222137:224240,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(OCc3ccccc3)c(Cl)c2F)cc1,IBTVCSOXCFPGAK-UHFFFAOYSA-N
rxn:4:222206:222537,Cn1c(=O)c2c(nc3n2CC(c2ccc(F)cc2)=NN3Cc2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cc2)n(C)c1=O,IERORQVHBXQNFQ-UHFFFAOYSA-N
rxn:4:222362:223562,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CC7CCN(C(=O)OC(C)(C)C)CC7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,GUGAXFHIIOSKIT-UHFFFAOYSA-N
rxn:4:222362:224662,CN1CCN(Cc2ccc(F)cc2-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)CC1,DHNKHSLKSHJHAS-UHFFFAOYSA-N
rxn:4:222363:225167,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(C(=O)N5CCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CSNQCNPLCBKXAR-UHFFFAOYSA-N
rxn:4:222363:226760,COC(=O)c1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc(F)c1F,RAMWSNRMAAIPDL-UHFFFAOYSA-N
rxn:4:199992:223570,CCOc1cc(N2C(=NC(C)=O)SC3CS(=O)(=O)CC32)cc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1OCC,ACAKJCLCHMWCDQ-UHFFFAOYSA-N
rxn:4:200025:223154,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NCC)c3)ccc21,JMPZVTJYJLGACS-UHFFFAOYSA-N
rxn:4:200053:222615,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1cccc(-c2cc(CC(C)C)cc(C3CCNCC3)c2)c1,WVXOLQZAKBBPDZ-UHFFFAOYSA-N
rxn:4:201189:222624,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)cc1,APWHRGLAUCCHJH-UHFFFAOYSA-N
rxn:4:204958:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccc(C(C)(C)C)cc3)N(c3nc(C)cs3)C5=O)c3ccccc23)CC1,MOIMEONNOLBOBG-UHFFFAOYSA-N
rxn:4:206740:222423,COc1c(-c2ccc(N3CCC(F)(F)CC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RAQBYFHJCRCMNX-UHFFFAOYSA-N
rxn:4:212683:222423,COc1c(-c2ccc(-c3cnc(SCC(=O)N4CCCC4)n3-c3ccc(Cl)cc3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QVCWSHDVVRAGQG-UHFFFAOYSA-N
rxn:4:212832:222423,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc1)SCC2,GEENPBYPCBBBPT-UHFFFAOYSA-N
rxn:4:213315:223570,C#CCn1c(=NC(=O)c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)s2)sc2cc(S(N)(=O)=O)ccc21,FKEVERHYFYGQIX-UHFFFAOYSA-N
rxn:4:213417:222423,CCn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,MUCJNSIWKJBPIR-UHFFFAOYSA-N
rxn:4:213450:223992,Cc1ccc(-c2ccc3nc(C)c(C4=NN(C(=O)C(C)C)C(c5ccccc5F)C4)c(-c4ccccc4)c3c2)cc1S(=O)(=O)N1CCN(C)CC1,YXTSRGQTKDHVJI-UHFFFAOYSA-N
rxn:4:213451:222440,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(S(=O)(=O)NCc6ccco6)cc5C(F)(F)F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LOLSGRGZLPFHIC-UHFFFAOYSA-N
rxn:4:213451:222706,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C6CCNCC6)ccc5C(F)(F)F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,SBCLUSMXGBRBIC-UHFFFAOYSA-N
rxn:4:213451:223679,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C)c(S(=O)(=O)N6CCN(CC)CC6)c(C)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,YKYRJKFXAMKMTJ-UHFFFAOYSA-N
rxn:4:213451:223958,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(C(=O)N6CCN(CC)CC6)c(F)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,SQQWJIRLYOLDTG-UHFFFAOYSA-N
rxn:4:213451:224197,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(CN6CCN(CC)CC6)c(F)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,NGILTSBPDDGTAT-UHFFFAOYSA-N
rxn:4:213451:225176,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(CN6CCOCC6)c(Cl)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,DAZYFJQATRBKSI-UHFFFAOYSA-N
rxn:4:214029:222423,COc1c(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KGUSXSITIBNYQU-UHFFFAOYSA-N
rxn:4:214137:222423,COc1ccc(Cn2nc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)c3cc([N+](=O)[O-])ccc32)cc1,LPXGBHFIJSVUOM-UHFFFAOYSA-N
rxn:4:214339:222423,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4cc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)ccc43)C2=O)cc1,JIPCZGTZLYMPOB-UHFFFAOYSA-N
rxn:4:214358:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3nc(C)c(C4=NN(C(C)=O)C(c5ccccc5F)C4)c(-c4ccccc4)c3c2)CC1,OSLFCPGKUPVETL-UHFFFAOYSA-N
rxn:4:214388:222486,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cncc(-c5cncc(C6CCCCN6)c5)c4)c(OC)cc12)CC3,PWWLJJJLCBTSNE-UHFFFAOYSA-N
rxn:4:218764:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(c(=O)n(CCCc3ccccc3)c(=O)n2C)n1Cc1ccccc1Cl,FAKWYFWLDYFCQP-UHFFFAOYSA-N
rxn:4:218774:224950,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6ccc(OC)cc6CN6CCCC6)ccc5OC)oc4C)ccn3n2)cc1,DIVXRAAHQSTQLH-UHFFFAOYSA-N
rxn:4:221539:222515,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(CNS(=O)(=O)c4ccc(Cl)cc4)cc3)cc2)CC(C)O1,PDGHWQOGJVPYKU-UHFFFAOYSA-N
rxn:4:221567:223541,Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,UGONQVOUSWBJRK-UHFFFAOYSA-N
rxn:4:221782:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6c5ccc(C)cc5C)n(C)c4=O)cc3)c(F)cc2C)CC1,CZYWCFJQFOYTBH-UHFFFAOYSA-N
rxn:4:221929:224468,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(-c6ccsc6)cc(C(C)(C)C)c5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,JQQXYJXRRZYBBE-UHFFFAOYSA-N
rxn:4:221961:222462,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cncc(-c5c(F)cc6nc(NC(=O)OC(C)(C)C)sc6c5F)c4)CC3)nc2)cn1,YDJAVAGZEVSOBG-UHFFFAOYSA-N
rxn:4:221990:222704,COc1ccc(-c2ccc(C3CCNCC3)c(C(F)(F)F)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,TUUVFNXMJPCQBZ-UHFFFAOYSA-N
rxn:4:221995:224665,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(F)cc5CN5CCN(C)CC5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,MQGLEYCUAOEWGR-UHFFFAOYSA-N
rxn:4:222134:225378,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N(C)C)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,KUHYXLWEXNZVML-UHFFFAOYSA-N
rxn:4:222138:224226,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(Cl)c(OCc3ccccc3)c2F)cc1,PHOASZIPLVTKTE-UHFFFAOYSA-N
rxn:4:222144:225206,Cc1cc(C2CC2)c(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cc1C(F)(F)F,RTKJCWUFDABHBT-UHFFFAOYSA-N
rxn:4:222195:222486,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cncc(-c4cncc(C5CCCCN5)c4)c3)c2)CC1,QZRZQVYENHHPAE-UHFFFAOYSA-N
rxn:4:222207:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(-c2nnc3n(Cc4cccc(C)c4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,UUXVAJGYINJHIL-UHFFFAOYSA-N
rxn:4:222362:222430,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(S(=O)(=O)Nc7ccc(OC(F)(F)F)cc7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,HTNXJMNLRMBCEQ-UHFFFAOYSA-N
rxn:4:222362:223902,CC1CCN(CCOc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2F)CC1,UQWMHXLHDDYTKI-UHFFFAOYSA-N
rxn:4:222363:223499,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JSEFIMSLRGEREP-UHFFFAOYSA-N
rxn:4:222363:223575,Cc1cc(CN2CCN(c3c(-c4ccccc4CN4CCN(C(=O)OC(C)(C)C)CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QXNZPTNQZOTAPD-UHFFFAOYSA-N
rxn:4:222363:224290,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)cc4OCCN4CCOCC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BJKFGMCBYAGOOV-UHFFFAOYSA-N
rxn:4:185611:222423,COc1c(-c2ccc(-c3c(C)oc4cc(OCCN5CCOCC5)ccc4c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OXAREKSERYPJAC-UHFFFAOYSA-N
rxn:4:194795:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6cccc(F)c6)C(=O)C45)cc3)c(F)ncc21,DFKAYHXLPDTQCQ-UHFFFAOYSA-N
rxn:4:199936:222423,COC(=O)Cn1c(=NC(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)sc2cc(OC)ccc21,RTWDRCJDDQHWPW-UHFFFAOYSA-N
rxn:4:200034:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4c(C(=O)c5ccc(OC)cc5)c(C)n(CCN5CCOCC5)c4c3)c3ccccc23)CC1,LEOONPDVZCOZHM-UHFFFAOYSA-N
rxn:4:200054:222389,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,DOJDFQOJQMIPJA-UHFFFAOYSA-N
rxn:4:201118:222423,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,VEJKURWPFJYAGG-UHFFFAOYSA-N
rxn:4:201147:223154,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NCC)c3)ccc21,COOZHCZPMMKDIU-UHFFFAOYSA-N
rxn:4:201174:223520,CCCOc1ccc(C2c3c(oc4ccc(-c5ccc(C(C)N6CCN(C(=O)OC(C)(C)C)CC6)cc5)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1,LDULCNXIPFCABM-UHFFFAOYSA-N
rxn:4:201187:223694,CCCOc1cccc(C2c3c(oc4ccc(-c5cc(S(=O)(=O)N6CCN(CC)CC6)c(C)cc5F)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,VAWFNCUOOPVPHT-UHFFFAOYSA-N
rxn:4:212684:222423,COc1c(-c2ccc(-c3cnc(SCC(=O)N4CCCC4)n3-c3ccc(F)cc3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,PGNVROMVHPZAKJ-UHFFFAOYSA-N
rxn:4:213067:222423,COc1c(-c2ccc(S(=O)(=O)n3nc(C)c(Sc4ccc([N+](=O)[O-])cc4)c3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JRRUKZXUMJJFID-UHFFFAOYSA-N
rxn:4:213450:226573,Cc1nc(OC(C)(C)C)ncc1-c1ccc2nc(C)c(C3=NN(C(=O)C(C)C)C(c4ccccc4F)C3)c(-c3ccccc3)c2c1,SFGVSGKPYVRAPB-UHFFFAOYSA-N
rxn:4:213451:222822,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)NC6CC6)c(C)cc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,KURVVHPSAFUPQG-UHFFFAOYSA-N
rxn:4:213451:223830,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(C)c(S(=O)(=O)N6CCN(CC)CC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,PMHKFJAZQYNTJX-UHFFFAOYSA-N
rxn:4:214386:222524,COc1cc(OC)c2cc(C(=O)N3CCc4[nH]c5c(-c6cc(F)c(F)cc6S(=O)(=O)N6CCC(O)CC6)cccc5c4C3)n(C)c2c1,QLKKPQZSICCURE-UHFFFAOYSA-N
rxn:4:214388:225888,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc5nc(C)n(C)c5c(F)c4F)c(OC)cc12)CC3,RKJJFOSPBVIKRY-UHFFFAOYSA-N
rxn:4:218758:222389,O=c1c2ccccc2nc(SCc2nc(-c3cccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)c3)no2)n1Cc1ccccc1,KGQWVDHUFYBZKG-UHFFFAOYSA-N
rxn:4:221274:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)cc1,VSXYGTOVYBEVPZ-UHFFFAOYSA-N
rxn:4:221539:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)CC1,YZCBBTWXPYNPOQ-UHFFFAOYSA-N
rxn:4:221539:223992,Cc1ccc(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,IRDLZOMWMQKVIC-UHFFFAOYSA-N
rxn:4:221745:222423,COc1c(-c2ccc(S(=O)(=O)c3nnn4c3nc(N3CCCCCC3)c3sccc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HCMBWGOREVALAC-UHFFFAOYSA-N
rxn:4:221781:222997,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(Cl)cc4C4CCCNC4)cc3)c(=O)n2C)c1C,UOBACYRWVWPPGZ-UHFFFAOYSA-N
rxn:4:221781:222998,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)cc(C5CCCNC5)c4)cc3)c(=O)n2C)c1C,WZQXWKKIMUYBHY-UHFFFAOYSA-N
rxn:4:221781:223007,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)cc(C5CCNCC5)c4)cc3)c(=O)n2C)c1C,HDSJLODUGXBBMT-UHFFFAOYSA-N
rxn:4:221781:223141,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cncc(C5CCNCC5)c4)cc3)c(=O)n2C)c1C,OHHNHRHIHDOTEY-UHFFFAOYSA-N
rxn:4:221781:224662,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)ccc4CN4CCN(C)CC4)cc3)c(=O)n2C)c1C,HCKAOOPAFQFQPL-UHFFFAOYSA-N
rxn:4:221782:222538,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c(C)c1,PLRGCUHVBXPJEK-UHFFFAOYSA-N
rxn:4:221786:225592,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)ccc4CN4CCCC4)cc3)c(=O)n2C)cc1C,PJLIAJRYZYYSIU-UHFFFAOYSA-N
rxn:4:221787:225594,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4CN4CCCC4)cc3)c(=O)n2C)c1,FUEYLKRAGGADSK-UHFFFAOYSA-N
rxn:4:221788:222612,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cc3)c(=O)n2C)cc1,IRZYGMJZNARQDK-UHFFFAOYSA-N
rxn:4:221929:224307,Cc1cn2c3c(=O)n(Cc4ccc(-c5c(F)cc(O[Si](C)(C)C(C)(C)C)cc5F)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,ZGJUHQLVLOUFII-UHFFFAOYSA-N
rxn:4:222362:222491,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(NC(=O)OCc7ccccc7)ccc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,LMSCWEDIMAQJJZ-UHFFFAOYSA-N
rxn:4:222362:222854,COc1ccc(C2CCCNC2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,YYWHTAFKWZCAJH-UHFFFAOYSA-N
rxn:4:222362:224443,Cc1cc(OCc2ccccc2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,IEKPERNCKBPADA-UHFFFAOYSA-N
rxn:4:222362:227588,COc1cc(F)cc(OC)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,LGJOCMSALYFTNZ-UHFFFAOYSA-N
rxn:4:222363:223592,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LOCWLDJPOGPERV-UHFFFAOYSA-N
rxn:4:222363:227617,Cc1cn(-c2csc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2)cn1,XAJONHOTIPDNSM-UHFFFAOYSA-N
rxn:4:199927:222389,COCCn1c(=NC(=O)Cc2ccccc2)sc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,MJBXSNPGJNENNP-UHFFFAOYSA-N
rxn:4:204942:222423,COc1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,WZIPZCZXEIMGNR-UHFFFAOYSA-N
rxn:4:207889:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2cccc(F)c2)N(c2nccs2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MGWOGKBOIHWJNS-UHFFFAOYSA-N
rxn:4:212839:222580,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(S(=O)(=O)NC5CC5)c5ccccc45)ccn23)CC1,PXJFXPUWHAWYJL-UHFFFAOYSA-N
rxn:4:212846:223570,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)n(Cc4ccco4)c(=O)c23)C1,QKNCWGHJUYURRT-UHFFFAOYSA-N
rxn:4:212846:223818,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5c(F)cc(F)c6c5ccn6C(=O)OC(C)(C)C)cc4)n(Cc4ccco4)c(=O)c23)C1,QMKQBBXGBNMDPX-UHFFFAOYSA-N
rxn:4:213451:223141,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cncc(C6CCNCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,JRBUDLVAHVKEKL-UHFFFAOYSA-N
rxn:4:213481:222439,COC12CC(COC(=O)c3cncc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4C(F)(F)F)c3)CN(C)C1Cc1cn(C)c3cccc2c13,ZKEIRDHVPJOAIS-UHFFFAOYSA-N
rxn:4:214187:222423,COc1cc2ncnc(N(C)c3cccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)c3)c2cc1OC,AVLKWYIHQYWYQB-UHFFFAOYSA-N
rxn:4:214238:223570,CCOc1c(C)cnc2c1c(=O)n(Cc1ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc1)c(=O)n2C,VWCKZPMFFWMGEG-UHFFFAOYSA-N
rxn:4:214338:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cccc3c2n(C)c(=O)n3C2CCC(=O)N(Cc3ccc(OC)cc3)C2=O)CC1,CLMSHDYALSFBFV-UHFFFAOYSA-N
rxn:4:214357:222423,COc1c(-c2ccc(C3CC(c4c(C)nc5ccc(Cl)cc5c4-c4ccccc4)=NN3C(C)=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HNRADKIHYPDTIH-UHFFFAOYSA-N
rxn:4:214388:222729,CCCc1cc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)cc(C2CCCNC2)n1,FVXASKMUOMOCMB-UHFFFAOYSA-N
rxn:4:214388:223768,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cn(C(=O)OC(C)(C)C)c5cc(C#N)ccc45)c(OC)cc12)CC3,NDWJPRZNVSSASD-UHFFFAOYSA-N
rxn:4:214388:225201,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(OC5CCCC5)c(F)c4F)c(OC)cc12)CC3,KNZMXCBZJKPYMF-UHFFFAOYSA-N
rxn:4:214388:226459,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(C#N)cc5ncn(C)c45)c(OC)cc12)CC3,DPBXNBCUPKWOOP-UHFFFAOYSA-N
rxn:4:217910:222423,COc1c(-c2ccc3c(c2)C2C(C3)OCc3nn(-c4c(C)cc(C)cc4C)c[n+]32)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HTSHYVMLKQKKKZ-UHFFFAOYSA-N
rxn:4:218747:223839,CCCCc1nc(SCc2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)cc2)c2c(=O)n(C)c(=O)n(C)c2n1,SFSXQHIAMFRUKI-UHFFFAOYSA-N
rxn:4:218994:222423,COc1c(-c2cnc(OCC3CCCN(Cc4sc(C)nc4C)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZVVKYUGLZICHGN-UHFFFAOYSA-N
rxn:4:219189:222612,COc1ccc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,PTUGBKDNOHFRMP-UHFFFAOYSA-N
rxn:4:221258:223827,CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(-c5cc(C(F)(F)F)ccc5N5CCN(CC)CC5)cc4)c(C)cn23)n(C)c1=O,MIZWUFHEIFZJEK-UHFFFAOYSA-N
rxn:4:221271:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)cc1,BJNACEFPKZTONK-UHFFFAOYSA-N
rxn:4:221272:223827,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C(F)(F)F)ccc3N3CCN(CC)CC3)cc2)n(C)c1=O,AOEALHAWMSUQPQ-UHFFFAOYSA-N
rxn:4:221275:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(N4CC(C)Cn5c4nc4c5c(=O)n(CCCc5ccccc5)c(=O)n4C)cc3)c2)CC1,NVGSVLYJMYWAQA-UHFFFAOYSA-N
rxn:4:221277:224290,Cn1c(=O)n(Cc2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,ZTZNXXVQJWPORD-UHFFFAOYSA-N
rxn:4:221450:222423,COc1c(-c2ccc(-n3nnc(C(=O)N4CCN(c5ccccc5C)CC4)c3C)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SZUBJLYGIHMQGS-UHFFFAOYSA-N
rxn:4:221574:225592,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)ccc4CN4CCCC4)cc3)c(=O)n2C)cc1,WMKBRVNBUKDPKX-UHFFFAOYSA-N
rxn:4:221761:222465,Cn1c(=O)n(Cc2c(F)cccc2Cl)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1,LRFXVQXZXSISHD-UHFFFAOYSA-N
rxn:4:221766:223841,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)c(=O)n2C)cc1,KWCFLFGUTBUOSW-UHFFFAOYSA-N
rxn:4:221781:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3cccc(C)c3C)n(C)c2=O)cc1,HJDUKLUGQLPEDO-UHFFFAOYSA-N
rxn:4:221787:224950,COc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4cc(C)cc(C)c4)n(C)c3=O)cc2)c(CN2CCCC2)c1,ULIMORPZBJATDC-UHFFFAOYSA-N
rxn:4:221928:222703,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(C(F)(F)F)c(C5CCNCC5)c4)ccc3OC)nnc12,IDOZJVKDBRBONP-UHFFFAOYSA-N
rxn:4:221929:224150,Cc1c(F)cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)cc1OCc1ccccc1,WQXWYVFODTUSRD-UHFFFAOYSA-N
rxn:4:221990:224391,COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,MHJUYYIPXLMQDM-UHFFFAOYSA-N
rxn:4:221994:223524,COc1ccc2c(c1)c(-c1ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)cn45)n(C)c3=O)cc1)cn2S(=O)(=O)c1ccc(C)cc1,WHFKOLBIHWQTNO-UHFFFAOYSA-N
rxn:4:222362:223950,CN(C)c1nc(OCc2ccccc2)ncc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,ZOJSHOQFQQYNBA-UHFFFAOYSA-N
rxn:4:222363:224188,Cc1cc(CN2CCN(c3c(-c4ccc(C(=O)N(C(C)C)C(C)C)cc4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OPAOVNBNPWWFJQ-UHFFFAOYSA-N
rxn:4:222363:224795,CCN(CC)S(=O)(=O)c1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)ccc1F,LZRMKBDSXQRPRB-UHFFFAOYSA-N
rxn:4:222363:228204,Cc1cc(C#N)c(F)c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1,KQDUFKZPZOGSPD-UHFFFAOYSA-N
rxn:4:222363:228388,Cc1cc(CN2CCN(c3c(-c4cc(C(F)F)ncc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RXTSRXJTJUQODS-UHFFFAOYSA-N
rxn:4:186785:222423,COc1c(-c2ccc(OCC3CCOCC3)c(C#N)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MFJAGQAPAPPXAX-UHFFFAOYSA-N
rxn:4:199993:222423,CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1cc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)ccc1OC,RRFUAFSTMBAMHZ-UHFFFAOYSA-N
rxn:4:200022:222423,COc1c(-c2ccc3c(c2)N(CC2CCN(C(=O)OCc4ccccc4)CC2)C(=O)CO3)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KYTFAMJHYLCHIH-UHFFFAOYSA-N
rxn:4:201031:223523,CCCN1C(=O)C(=C2SC(=S)N(CCOC)C2=O)c2cc(-c3ccc(S(=O)(=O)N4CCN(CC)CC4)c4ccccc34)ccc21,WLLGZQOGKXLEGM-UHFFFAOYSA-N
rxn:4:201188:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(C4c5c(oc6cc(OC)ccc6c5=O)C(=O)N4CCN4CCOCC4)c3)c3ccccc23)CC1,JDYSFSSIDNKNHV-UHFFFAOYSA-N
rxn:4:202798:222423,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1,QQIYUTBOTCRXDP-UHFFFAOYSA-N
rxn:4:204900:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1ccc2c3c(cccc13)C(=O)N(CCN1CCOCC1)C2=O,KTHBVCLICMTWEZ-UHFFFAOYSA-N
rxn:4:212614:222423,COC(=O)c1cn(Cc2cccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)c2)nc1S(=O)(=O)N1CCCC1,NCRHJFIIFLRPBZ-UHFFFAOYSA-N
rxn:4:212744:223760,COc1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(OC)cc1OCc1ccccc1,NNOSINYNHBCLJH-UHFFFAOYSA-N
rxn:4:212785:222423,COCCn1c(=NC(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)sc2cc(S(N)(=O)=O)ccc21,FCPQZWFLTATXMD-UHFFFAOYSA-N
rxn:4:212820:222423,COCCn1c(=NC(=O)c2cc(-c3cccs3)nc3ccccc23)sc2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,NZKYTYAISVLDGU-UHFFFAOYSA-N
rxn:4:212846:222423,COc1c(-c2ccc(CSc3nc4sc5c(c4c(=O)n3Cc3ccco3)CCN(C(C)=O)C5)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XSGDTSGRTHCCJJ-UHFFFAOYSA-N
rxn:4:213115:222423,COc1c(-c2cnc(OCC3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ITWLKBNEPWJBLV-UHFFFAOYSA-N
rxn:4:213230:222423,COc1c(-c2cc(F)c([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)CC3C)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GAJDBESHBKBYCV-UHFFFAOYSA-N
rxn:4:213467:222537,COc1cccc(Cn2cnc3c4cc(F)ccc4n(Cc4cccc(-c5cc(C6CCCC6)nc(C6CCCNC6)c5)c4)c3c2=O)c1,ZEYNBYVIFUPOSX-UHFFFAOYSA-N
rxn:4:213475:223841,COc1cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,VEDHEJNGRGSYMT-CWWZAPHPSA-N
rxn:4:213480:223845,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,DVSUEACCBHSZKW-FGGQGBITSA-N
rxn:4:214086:222423,COc1c(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCCCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,NMVOWYHWRVDZAB-UHFFFAOYSA-N
rxn:4:214388:222824,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(S(=O)(=O)NC(C)C)c(C)cc4F)c(OC)cc12)CC3,HVQNVZWDWWJAOX-UHFFFAOYSA-N
rxn:4:214388:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cc4c(cc3OC)c(C(=O)N3CCc5[nH]c6ccc(OC)cc6c5C3)c(C)n4C)c3ccccc23)CC1,RTUPRJOKKHYWBU-UHFFFAOYSA-N
rxn:4:214388:223890,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc5ncn(Cc6ccccc6)c5cc4F)c(OC)cc12)CC3,BJCQNVZJNJUPNV-UHFFFAOYSA-N
rxn:4:218638:222423,COc1c(-c2ccc(-n3nnc(C(=O)OCc4nc(-c5cccc(Cl)c5)oc4C)c3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FFTUWBNERMQHIP-UHFFFAOYSA-N
rxn:4:219529:222423,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,AQGWQXMUYOJBKC-UHFFFAOYSA-N
rxn:4:221121:223578,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(N6CCCCC6)nc5OCc5ccccc5)ccc43)CC2)CC1,YNAKOJNLYQMYDZ-UHFFFAOYSA-N
rxn:4:221277:222537,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,YPZXRAJVHIIMKK-UHFFFAOYSA-N
rxn:4:221551:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CC(=O)OC)c(=O)n(C)c5nc34)cc2)CC1,XIMUDKDZEGVQSI-UHFFFAOYSA-N
rxn:4:221570:222611,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4OC)cc3)c(=O)n2C)c1,UDRFCYVJLORKRG-UHFFFAOYSA-N
rxn:4:221731:222423,COc1c(-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,NIGRKUBERFEIGU-UHFFFAOYSA-N
rxn:4:221766:222702,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)c(=O)n2C)cc1,YTEPDRGNUOYPPB-UHFFFAOYSA-N
rxn:4:221781:222996,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4C4CCCNC4)cc3)c(=O)n2C)c1C,XNFYMDXYPFBYPE-UHFFFAOYSA-N
rxn:4:221782:222822,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)NC5CC5)c(C)cc4F)cc3)c(=O)n2C)c(C)c1,LGVAPOFUYKXNLC-UHFFFAOYSA-N
rxn:4:221928:222702,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)ccc3OC)nnc12,LZDGBQBGOLXQKX-UHFFFAOYSA-N
rxn:4:221994:223643,Cc1ccc(S(=O)(=O)n2c(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)cn56)n(C)c4=O)cc3)cc3ccccc32)cc1,DURWBTGIEFKJOC-UHFFFAOYSA-N
rxn:4:222137:224217,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(OCc3ccccc3)c(F)c2F)cc1,SJEUPWVFTWRUJF-UHFFFAOYSA-N
rxn:4:222144:225219,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cnc(N3CCCCC3C)cc2F)cc1,VIIJWIRQXIPPOO-UHFFFAOYSA-N
rxn:4:222190:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(C)nc2nc(N(C)C3CN(c4cnccn4)C3)ccc2c1C,HNZUIBYMFMSEHY-UHFFFAOYSA-N
rxn:4:222201:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(-c2nnc3n(Cc4ccc(F)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,VMLXNSJBWQIAQM-UHFFFAOYSA-N
rxn:4:222362:222484,Cc1ccc(NC(=O)c2cc(F)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)c(C)c1,FSLWPNPJXVWOJN-UHFFFAOYSA-N
rxn:4:222362:224090,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccccc6OCc6ccccc6C#N)cc6[nH]ncc56)nn4)cn3c2)CC1,SJJRMZGCDYKAJO-UHFFFAOYSA-N
rxn:4:222363:223367,Cc1cc(CN2CCN(c3c(-c4cnc5[nH]ccc5c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BLLZXZIHOXAPCX-UHFFFAOYSA-N
rxn:4:222363:223631,Cc1cc(CN2CCN(c3c(-c4ccc5c(Cl)c(OCc6ccccc6)ccc5c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NHPXUQKPMVQJIV-UHFFFAOYSA-N
rxn:4:222363:226007,Cc1cc(CN2CCN(c3c(-c4ccc(F)c(OCC(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VNVXESSSWYJADM-UHFFFAOYSA-N
rxn:4:173706:222630,CCCC(=O)c1cc2c(cc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c3oc(C)c(C(=O)OCC)c32)oc1=O,OGUUNBYXUUJNCL-UHFFFAOYSA-N
rxn:4:185270:222423,COc1c(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QNZKWEKXSVYMCY-UHFFFAOYSA-N
rxn:4:199870:222423,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,XSVFFHVBHOHHND-UHFFFAOYSA-N
rxn:4:200892:222423,CCOc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,ISLFLLPJDZJUEG-UHFFFAOYSA-N
rxn:4:201186:223812,CCCOc1ccc(C2c3c(oc4ccc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,HWDUYFBZGGXEBF-UHFFFAOYSA-N
rxn:4:207834:222423,COc1c(-c2cc(C)c(N3C(=NC(C)=O)SC4CS(=O)(=O)CC43)c(C)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,UTSSCEDDOORXHT-UHFFFAOYSA-N
rxn:4:207948:222423,COc1c(-c2ccc(C3c4c(oc5ccc(C)cc5c4=O)C(=O)N3c3cccc(C)n3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZYCAHOYGJMKOJM-UHFFFAOYSA-N
rxn:4:212697:222423,COc1c(-c2cnc(OCC3CCCN(S(=O)(=O)Cc4cccc(C)c4)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,URULRGYQVCVYPT-UHFFFAOYSA-N
rxn:4:212726:222423,COc1c(-c2ccc(-c3cnc(SCC(=O)N4CCCCC4)n3-c3ccc(C)cc3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FGFVPMSXYJTPEU-UHFFFAOYSA-N
rxn:4:212751:224579,Cc1cn(-c2ccc(C3CC3)c(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c2)cn1,XXMSEXVXTNIFEW-UHFFFAOYSA-N
rxn:4:212839:223523,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(S(=O)(=O)N5CCN(CC)CC5)c5ccccc45)ccn23)CC1,GKLGACFDKKSLSX-UHFFFAOYSA-N
rxn:4:212839:224290,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(Cl)cc4OCCN4CCOCC4)ccn23)CC1,TZRJSQPTNBCRNU-UHFFFAOYSA-N
rxn:4:212851:222524,CCOc1cc2nc3c4cc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCC(O)CC5)ccc4n(CC(C)C)c3nc2cc1OCC,KACKBBNCQPRCDD-UHFFFAOYSA-N
rxn:4:213034:222423,COc1c(-c2ccc(C(=O)n3nc(C)c(Sc4ccccc4[N+](=O)[O-])c3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DCLZMLOISJTILQ-UHFFFAOYSA-N
rxn:4:213445:223694,CCN1CCN(S(=O)(=O)c2cc(-c3c(OC)ccc4cc(-c5nc6c(-c7ccc(OC)c(OC)c7)cnn6cc5C)ccc34)c(F)cc2C)CC1,AGAIYJRMFVLAFY-UHFFFAOYSA-N
rxn:4:213445:223992,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6ccc(C)c(S(=O)(=O)N7CCN(C)CC7)c6)c(OC)ccc5c4)nc23)cc1OC,JGRYYJRMWLJBPI-UHFFFAOYSA-N
rxn:4:213451:223566,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(-n6c(C)ccc6C)nc(-n6c(C)ccc6C)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,FUYVSHRHTYFSLU-UHFFFAOYSA-N
rxn:4:213474:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc4c(c3)C(F)(F)c3cc(-c5cnc([C@@H]6CC7(CC7)CN6C(=O)OC(C)(C)C)[nH]5)ccc3-4)cc12,AWOBYWURNAJCHL-DHUJRADRSA-N
rxn:4:213481:222443,COc1ccc(CNC(=O)c2cc(F)cc(-c3cncc(C(=O)OCC4CN(C)C5Cc6cn(C)c7cccc(c67)C5(OC)C4)c3)c2)cc1,RRBIWIYAPMZJFR-UHFFFAOYSA-N
rxn:4:214388:223533,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)c(OC)cc12)CC3,ZUXAZIMPUZKQCP-UHFFFAOYSA-N
rxn:4:215310:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C4C5=C(OC(C)=O)c6ccccc6C5=Nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)cc2C)CC1,NUSOZLREGMATAR-UHFFFAOYSA-N
rxn:4:221201:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)cc1,RHRQEOKMAUMTPX-JOCHJYFZSA-N
rxn:4:221252:222515,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1,VXAXAUHZCDGBOF-UHFFFAOYSA-N
rxn:4:221272:224290,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2)n(C)c1=O,ZGWZPJPSOZDIEQ-UHFFFAOYSA-N
rxn:4:221275:225364,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N(C)C,QAQOQHQHQQGJFX-UHFFFAOYSA-N
rxn:4:221565:222741,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(C6CC6)nc(C6CCCNC6)c5)cc4)c(=O)n(C)c3nc2n1Cc1ccco1,NLPHAMDJKBJKRG-UHFFFAOYSA-N
rxn:4:221574:224398,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)c(=O)n2C)cc1,HYPRUXQESMXHAO-UHFFFAOYSA-N
rxn:4:221766:223570,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)c(=O)n2C)cc1,FUMDLMGWZIJMSE-UHFFFAOYSA-N
rxn:4:221778:224398,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCCC1,ASXYPCKRTOKBTO-UHFFFAOYSA-N
rxn:4:221782:222850,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4C#N)cc3)c(=O)n2C)c(C)c1,UXGVQDUVSOMPAL-UHFFFAOYSA-N
rxn:4:221782:223003,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(Cl)c(C5CCNCC5)c4)cc3)c(=O)n2C)c(C)c1,STPISZNMAOFCQP-UHFFFAOYSA-N
rxn:4:221782:223007,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)cc(C5CCNCC5)c4)cc3)c(=O)n2C)c(C)c1,UCAABWLNPGTMOK-UHFFFAOYSA-N
rxn:4:221983:222462,Cc1cc(C)n2c(-c3c(F)cc4nc(NC(=O)OC(C)(C)C)sc4c3F)c(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)nc2n1,PZSBWCAHYDAGFV-UHFFFAOYSA-N
rxn:4:221987:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(OC)c(-c3nnc4n(CCOC)c5c(=O)n(C)c(=O)n(C)c5n34)c2)CC1,UPPVMWZSWYGDQM-UHFFFAOYSA-N
rxn:4:221995:223597,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(OCCN6CCC7(CC6)OCCO7)c(Cl)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,QLRDBHNGYKNEFR-UHFFFAOYSA-N
rxn:4:222362:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,ZEWBAPBOPUJWMZ-UHFFFAOYSA-N
rxn:4:222362:222714,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(NC(=O)OC(C)(C)C)cc(F)c6F)cc6[nH]ncc56)nn4)cn3c2)CC1,JOURQUNCPSJXDP-UHFFFAOYSA-N
rxn:4:222362:223179,CONC(=O)c1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc1F,FXSAJLJZHRTRTG-UHFFFAOYSA-N
rxn:4:222362:224244,CC1CCN(C(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2Cl)CC1,UZUTZAGWACRDKI-UHFFFAOYSA-N
rxn:4:222363:223967,Cc1cc(CN2CCN(c3c(-c4ccc(Oc5ccccc5)cc4C(F)(F)F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LGWLWKZWVKRTIO-UHFFFAOYSA-N
rxn:4:188026:222466,CC(C)c1ccc(C2c3c(oc4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2CC2CCCO2)cc1,RKPGGCIYXGZODW-UHFFFAOYSA-N
rxn:4:199596:222423,COc1c(-c2ccc(OC(F)(F)F)cc2OCCN2CCN(C)CC2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BQDCKWGVTWJKNS-UHFFFAOYSA-N
rxn:4:199633:222423,COc1ccc(-c2noc(CS(=O)(=O)c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)n2)cc1OC,XZWPXEBATQULLZ-UHFFFAOYSA-N
rxn:4:199983:222423,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc32)SC1=S,BPMLOTSZXSBMLJ-UHFFFAOYSA-N
rxn:4:200033:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnc4cc(CN5CCC(CO[Si](C)(C)C(C)(C)C)C5)oc4c3)c(F)ncc21,GAUBTAYBQSMAIL-UHFFFAOYSA-N
rxn:4:201184:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccccc3)N(CCCN3CCOCC3)C5=O)cc12,IXNPDVWSWNXMLA-UHFFFAOYSA-N
rxn:4:202800:222466,CC#Cc1cc2c(c(F)c1-c1cc(C3CCCCC3)nc(C3CCNCC3)c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,UGQBAWXPIQONFC-GDLZYMKVSA-N
rxn:4:212839:224502,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(OCC5CCCCN5C)c4)ccn23)CC1,ZYUZWGOUIBROTG-UHFFFAOYSA-N
rxn:4:213377:222423,CCCN1C(=O)C(=Cc2c(Oc3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)nc3ccccn3c2=O)SC1=S,WWJYFNICBIAQTH-UHFFFAOYSA-N
rxn:4:213405:222855,COc1cc(-c2ccc(-n3c(C)cc(C(=O)CSc4ncnc5sc(C)c(C)c45)c3C)cc2)cc(C2CCCNC2)c1,GXMSKDZJMVJIAQ-UHFFFAOYSA-N
rxn:4:213451:224677,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(Cl)c(C(=O)N6CCCCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,CCHFLIIHLHEWLD-UHFFFAOYSA-N
rxn:4:219791:222423,COc1c(-c2ccc(-n3c(SCc4nc5ccccc5[nH]4)nc4sc5c(c4c3=O)CCCC5)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DFWIFFVSKNTRQZ-UHFFFAOYSA-N
rxn:4:221274:223541,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,VECBTXXDTZAMQJ-UHFFFAOYSA-N
rxn:4:221560:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5Cc4ccco4)n(C)c3=O)cc2)CC1,JCRCFIWWEHAJTK-UHFFFAOYSA-N
rxn:4:221574:222822,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)NC5CC5)c(C)cc4F)cc3)c(=O)n2C)cc1,PLYAOIXBWPEKRI-UHFFFAOYSA-N
rxn:4:221574:222824,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)NC(C)C)c(C)cc4F)cc3)c(=O)n2C)cc1,ZTVHJDAJQOLINK-UHFFFAOYSA-N
rxn:4:221574:222847,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C#N)cc(C5CCCNC5)c4)cc3)c(=O)n2C)cc1,PMDRSVXOBPXCRJ-UHFFFAOYSA-N
rxn:4:221770:223841,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)c(=O)n2C)c1,FVIZHKLZAFSDSE-UHFFFAOYSA-N
rxn:4:221780:222537,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cc2)c(=O)c2c1nc1n2CCCN1C1CCCCC1,NQBMLPXLQCRQSY-UHFFFAOYSA-N
rxn:4:221782:223001,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)c(=O)n2C)c(C)c1,YUPQUSMKUAIZLU-UHFFFAOYSA-N
rxn:4:221782:226131,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccccc4CN4CCCC4)cc3)c(=O)n2C)c(C)c1,WPVHCECQCDALQY-UHFFFAOYSA-N
rxn:4:221783:222462,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)cc3)c(=O)n2C)c1,ICLSLSDWBBYVQB-UHFFFAOYSA-N
rxn:4:221783:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3cccc(C)c3)n(C)c2=O)cc1,HTTWLYRYPQKIII-UHFFFAOYSA-N
rxn:4:221785:223008,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C5CCNCC5)ccc4F)cc3)n(C)c2=O)c1,WFUFPOUYFIQZQW-UHFFFAOYSA-N
rxn:4:221788:222986,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C)nc(C5CCCNC5)c4)cc3)c(=O)n2C)cc1,DGEZLWSILSAQFB-UHFFFAOYSA-N
rxn:4:221788:223001,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)c(=O)n2C)cc1,VUVOTPNDAVJXAI-UHFFFAOYSA-N
rxn:4:221790:223001,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C4CCCNC4)ccc3F)cc2)n(C)c1=O,OGKRWSHOVALJEL-UHFFFAOYSA-N
rxn:4:221790:223008,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C4CCNCC4)ccc3F)cc2)n(C)c1=O,QGOLBWZIAFKMMB-UHFFFAOYSA-N
rxn:4:221791:222996,Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(F)cc2C2CCCNC2)cc1,MKIRHZMNTYJGPW-UHFFFAOYSA-N
rxn:4:221791:222997,Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(Cl)cc2C2CCCNC2)cc1,HSZUGWWHPUXLML-UHFFFAOYSA-N
rxn:4:221794:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(SCc5cc(=O)n6cc(Cl)ccc6n5)n5c6ccccc6nc5c4c3)c3ccccc23)CC1,CSCGHJYKTGBTPG-UHFFFAOYSA-N
rxn:4:221986:223601,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cnc(OCc4ccc(OC)cc4)c(C(F)(F)F)c3)cc2)CC1,QQBKZMOLXHODNV-UHFFFAOYSA-N
rxn:4:222352:222621,CSc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6cc(CC(C)C)nc(C7CCCNC7)c6)cc5)c(C)nn43)c2=O)[nH]1,ZATIRMDIAPAFNT-UHFFFAOYSA-N
rxn:4:222362:223668,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OCc7ccccc7)cc6OC(F)(F)F)cc6[nH]ncc56)nn4)cn3c2)CC1,MWGXEVXIZISPLF-UHFFFAOYSA-N
rxn:4:222362:224117,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(F)cc6OCCc6ccccc6)cc6[nH]ncc56)nn4)cn3c2)CC1,GLAJIRZGWVAWMI-UHFFFAOYSA-N
rxn:4:222363:222855,COc1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc(C2CCCNC2)c1,ITFMXEIOKQSMSL-UHFFFAOYSA-N
rxn:4:222363:223081,CNc1nnc(-c2ccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)cc2)s1,RPDYAXQYEOPDLD-UHFFFAOYSA-N
rxn:4:222363:223576,Cc1cc(CN2CCN(c3c(-c4cccc(OC5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IQSZRFXFPSILMY-UHFFFAOYSA-N
rxn:4:222363:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)cc2)C1,JBSXGLOSEGVHGN-UHFFFAOYSA-N
rxn:4:222363:226029,CCOc1c(F)c(F)c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c(F)c1F,XGEZNOSMTILZFZ-UHFFFAOYSA-N
rxn:4:194833:222423,COc1c(-c2ccc(C(=O)N3c4c(C)cccc4-c4c(ssc4=S)C3(C)C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OMTOACTWMULLCQ-UHFFFAOYSA-N
rxn:4:199989:222423,CCOC(=O)c1c(CN2CCOCC2)n(C)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)c(OC)cc12,GTKNMFMFPRTCGR-UHFFFAOYSA-N
rxn:4:202297:222423,COc1cc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,KORZYAQIXCJZCU-UHFFFAOYSA-N
rxn:4:202708:222423,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,UZOFHWFTCXOCJC-UHFFFAOYSA-N
rxn:4:203358:222423,COc1c(-c2ccc(-c3nc(C(F)(F)F)c[nH]3)c(C(F)(F)F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BQKUILCCPZEFJA-UHFFFAOYSA-N
rxn:4:207850:222423,COc1c(-c2ccc(N3C(=O)N(c4ccc(C)cc4)C4CS(=O)(=O)CC43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SXTIBPPMJBUFFG-UHFFFAOYSA-N
rxn:4:212751:222700,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)c2)CCN1C(=O)OC(C)(C)C,GEPLDJNMEMMEPO-UHFFFAOYSA-N
rxn:4:212797:222423,COc1c(-c2ccc3c(c2)sc(=NC(=O)CSCC(=O)N2CCc4ccccc42)n3C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GVXDDQJNSWFUEL-UHFFFAOYSA-N
rxn:4:213450:224398,Cc1cc(F)c(-c2ccc3nc(C)c(C4=NN(C(=O)C(C)C)C(c5ccccc5F)C4)c(-c4ccccc4)c3c2)cc1S(=O)(=O)N1CCCC1,WAYUSVAQAOILMM-UHFFFAOYSA-N
rxn:4:213451:224407,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(S(=O)(=O)N6CCC(F)(F)C6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,CERIKNOSMLZSDS-UHFFFAOYSA-N
rxn:4:213451:224577,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C6CC6)cc(-n6cnc(C)c6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,RSQFUOPMGKQECT-UHFFFAOYSA-N
rxn:4:219189:222843,COc1ccc(-c2ccc(C)cc2C(=O)NC(C)(C)C)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,BEHZSUBXPMXKFY-UHFFFAOYSA-N
rxn:4:220239:222524,CN1C(=O)[C@@H](N2CCc3c(nn(Cc4ccccc4)c3-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)C2=O)COc2ccccc21,HXPLGYLUTYLXHD-NDEPHWFRSA-N
rxn:4:221275:224405,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,SCCKYVFRBLKUSM-UHFFFAOYSA-N
rxn:4:221277:223699,Cn1c(=O)n(Cc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,RBFFIIFCUGBFEI-UHFFFAOYSA-N
rxn:4:221538:222741,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C3CC3)nc(C3CCCNC3)c2)cc1,STJRGQUBIDLWAX-UHFFFAOYSA-N
rxn:4:221574:222702,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)c(=O)n2C)cc1,DOVIJYVLVWPSAZ-UHFFFAOYSA-N
rxn:4:221760:223841,Cc1cc(F)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4F)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,MXOGFAZMQVHVGL-UHFFFAOYSA-N
rxn:4:221766:223699,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C(F)(F)F)cc3)c(=O)n2C)cc1,FJXWSMQZHREHDB-UHFFFAOYSA-N
rxn:4:221777:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)cc1,QVKSUEQBLHDCGQ-UHFFFAOYSA-N
rxn:4:221782:222702,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)c(=O)n2C)c(C)c1,FKEHKGKDRXXFGY-UHFFFAOYSA-N
rxn:4:221782:222890,COc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)cc(C2CCCNC2)n1,UPLOYDYPAPHMLP-UHFFFAOYSA-N
rxn:4:221782:222996,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4C4CCCNC4)cc3)c(=O)n2C)c(C)c1,QAMVXXBWGKOUSM-UHFFFAOYSA-N
rxn:4:221783:223008,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4F)cc3)c(=O)n2C)c1,VORJBXJWKIRQQU-UHFFFAOYSA-N
rxn:4:221784:222996,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccc(F)cc4C4CCCNC4)cc3)n(C)c2=O)c1,TYIPOBVJTJWLPP-UHFFFAOYSA-N
rxn:4:221786:222996,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4C4CCCNC4)cc3)c(=O)n2C)cc1C,KGWFDBYWTFXJSY-UHFFFAOYSA-N
rxn:4:221787:222996,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4C4CCCNC4)cc3)c(=O)n2C)c1,ISXSFKHSXZKZNG-UHFFFAOYSA-N
rxn:4:221790:222996,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(F)cc3C3CCCNC3)cc2)n(C)c1=O,WQMULSQUSQKQES-UHFFFAOYSA-N
rxn:4:221790:222997,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(Cl)cc3C3CCCNC3)cc2)n(C)c1=O,GRUBQNNVJHPKQB-UHFFFAOYSA-N
rxn:4:221986:222741,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc2)CC1,YWSOSPNNCDZKTL-UHFFFAOYSA-N
rxn:4:221986:223599,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc4cc(C(F)(F)F)ccc4n3C(=O)OC(C)(C)C)cc2)CC1,JNAAKJCKNVRMCS-UHFFFAOYSA-N
rxn:4:221995:223808,COc1ccc(COc2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)c(C)n56)n(C)c4=O)cc3)c(F)c2F)cc1,OSWKODRMHONXIS-UHFFFAOYSA-N
rxn:4:222137:223676,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3ccccc3)cc(C(F)(F)F)c2F)cc1,QENNUOXBZBUTCL-UHFFFAOYSA-N
rxn:4:222232:222423,COc1c(-c2ccc(CN3N=C(C)Cn4c3nc3c4c(=O)n(C)c(=O)n3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QJDNMEPKDMZJBM-UHFFFAOYSA-N
rxn:4:222250:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCCn5ccnc5)c(C)cn34)n(C)c2=O)cc1,AYDFNZCWIOQHKY-UHFFFAOYSA-N
rxn:4:222362:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,MGFHWXUPDLAWIZ-UHFFFAOYSA-N
rxn:4:222363:224233,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OCc4ccccc4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VMHQVTAXPRZRIR-UHFFFAOYSA-N
rxn:4:222363:224969,Cc1cc(CN2CCN(c3c(-c4ccc(C(=O)OC(C)(C)C)c(C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CRSOAXUPBFOKHB-UHFFFAOYSA-N
rxn:4:222363:225305,Cc1cc(CN2CCN(c3c(-c4cnc(C5CCC5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VZTBNRVIUAVLAJ-UHFFFAOYSA-N
rxn:4:183196:222423,COc1c(-c2ccc3c(c2)OCC(F)(F)C(F)(F)CO3)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XQFQGJASMOEQMI-UHFFFAOYSA-N
rxn:4:188016:223570,COc1cccc(C2c3c(oc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4c3=O)C(=O)N2Cc2ccco2)c1,BEMLHWGDMKMXBE-UHFFFAOYSA-N
rxn:4:199587:222423,COc1c(-c2ccc(Cl)c(C(=O)Oc3coc(CSc4nccc(C)n4)cc3=O)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,PMYYAJUYDQDARU-UHFFFAOYSA-N
rxn:4:200007:222465,CCCCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)ccc21,LZDHQTKLVKNLGA-UHFFFAOYSA-N
rxn:4:204736:222423,COc1c(-c2nc3c(cc2Cc2ccc(F)cc2)N(C(C)=O)CC3(C)C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SJWPBJJETDEKNF-UHFFFAOYSA-N
rxn:4:207896:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2)N(c2cc(C)on2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FNDRKPKHAWUDLQ-UHFFFAOYSA-N
rxn:4:212714:222423,COc1c(-c2ccc(-c3cnc(SCC(=O)N4CCCC4)n3-c3ccccc3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KODHOHHINNUWFR-UHFFFAOYSA-N
rxn:4:212767:223841,COCCn1c(=NC(=O)c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)s2)sc2cc(S(N)(=O)=O)ccc21,KFSMQELPTHQFHD-UHFFFAOYSA-N
rxn:4:212839:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)CC1,CWASTTGVILTHJU-UHFFFAOYSA-N
rxn:4:212846:223924,COc1cccc(Cl)c1-c1cccc(OC)c1-c1ccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCN(C(C)=O)C4)cc1,LDOBBGUAKXEZKE-UHFFFAOYSA-N
rxn:4:213450:224667,Cc1nc2ccc(-c3ccc(Cl)c(CN4CCN(C)CC4)c3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,JLWSHOXAENLWCP-UHFFFAOYSA-N
rxn:4:213451:222699,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(C6CCCNC6)c(C(F)(F)F)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,GERBCIYJDBYLKB-UHFFFAOYSA-N
rxn:4:213451:224770,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C)cc(S(=O)(=O)N6CCCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,PEFPECLHQVDCSP-UHFFFAOYSA-N
rxn:4:214386:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc4c5c([nH]c34)CCN(C(=O)c3cc4c(OC)cc(OC)cc4n3C)C5)c(F)cc2C)CC1,FJSQZLCMKUZCFN-UHFFFAOYSA-N
rxn:4:214388:225766,CCCOc1c(F)cc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c(C)c1F,MTVGKLRQLIKVIX-UHFFFAOYSA-N
rxn:4:218778:224398,Cc1cc(F)c(-c2cc(Cl)cc3c2nc(N2CC4(CN(C(=O)OC(C)(C)C)C4)C2)n3Cc2cc(C)c(F)c(C)c2)cc1S(=O)(=O)N1CCCC1,AHCDIVWASPLESH-UHFFFAOYSA-N
rxn:4:218785:222488,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(NC(=O)OCc4ccccc4)cnc3C)cc1-2,VFASKNDODCJZLS-UHFFFAOYSA-N
rxn:4:219067:222423,COc1c(-c2cccc(N3CC(C(=O)N4CCC(Cn5ccnc5)CC4)CC3=O)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HJROMCDDLUNHAG-UHFFFAOYSA-N
rxn:4:219189:222780,COc1ccc(-c2cc(F)cc(C(=O)NCCN(C)C)c2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,BBIMJKBXKWCFOO-UHFFFAOYSA-N
rxn:4:220556:223570,Cc1nn2c(ncc3c(=O)n(-c4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)ccc32)c1-c1ccc(F)cc1,ZCPIXTKZFYWOGC-UHFFFAOYSA-N
rxn:4:221116:222423,CCOc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,MNKSVGPPZLMANK-UHFFFAOYSA-N
rxn:4:221201:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)cc1,BYFSTAYXPFSDGH-HSZRJFAPSA-N
rxn:4:221277:222988,Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc(C2CCNCC2)n1,LMTYBOWXGXMLTJ-UHFFFAOYSA-N
rxn:4:221574:222996,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4C4CCCNC4)cc3)c(=O)n2C)cc1,JUZRJYOSGVGMFW-UHFFFAOYSA-N
rxn:4:221574:223006,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)c(C5CCNCC5)c4)cc3)c(=O)n2C)cc1,WXMUMGBSQQQSKX-UHFFFAOYSA-N
rxn:4:221781:223008,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4F)cc3)c(=O)n2C)c1C,LYURSTZTQQDNSI-UHFFFAOYSA-N
rxn:4:221782:222725,CCNS(=O)(=O)c1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)c(C(F)(F)F)c1,AFLJETFFZJRBJJ-UHFFFAOYSA-N
rxn:4:221782:223006,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)c(C5CCNCC5)c4)cc3)c(=O)n2C)c(C)c1,YPGNUZKJMDVHJY-UHFFFAOYSA-N
rxn:4:221782:223008,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4F)cc3)c(=O)n2C)c(C)c1,VQRJVRUSNOYFSD-UHFFFAOYSA-N
rxn:4:221784:223007,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(F)cc(C5CCNCC5)c4)cc3)n(C)c2=O)c1,IMYRXAGZFDZDAU-UHFFFAOYSA-N
rxn:4:221786:222725,CCNS(=O)(=O)c1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)c(C)c4)n(C)c3=O)cc2)c(C(F)(F)F)c1,HPGDQZHVIWNHGN-UHFFFAOYSA-N
rxn:4:221786:222846,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C#N)cc3)c(=O)n2C)cc1C,KJXYWKXTKHBENL-UHFFFAOYSA-N
rxn:4:221786:223008,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4F)cc3)c(=O)n2C)cc1C,JLGJFRWDPNOKTL-UHFFFAOYSA-N
rxn:4:222144:222524,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1,YTOSEAFTWYJJOD-UHFFFAOYSA-N
rxn:4:222144:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)c(F)cc1C,WFNNSQXJKQVRGL-UHFFFAOYSA-N
rxn:4:222362:224076,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc7c(ccn7[Si](C)(C)C(C)(C)C)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,RDHXOPAUUCUXHZ-UHFFFAOYSA-N
rxn:4:222363:224600,Cc1ccc(-c2cc(F)c(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)cc2F)cc1,RBJQGGFWMLAXFX-UHFFFAOYSA-N
rxn:4:222363:225680,Cc1cc(CN2CCN(c3c(-c4cc(Cl)cc(-c5ccccn5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SSPDLBAIIXPKTO-UHFFFAOYSA-N
rxn:4:222363:227548,CCOc1ccc(F)c(F)c1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,WRPXSGDQYMITBU-UHFFFAOYSA-N
rxn:4:222363:227581,CCOc1c(F)ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1F,VVTOHEQCJJJHOB-UHFFFAOYSA-N
rxn:4:200023:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(CN4CCc5c(OCC(=O)N6CCOCC6)cccc5C4=O)cc3)c(F)ncc21,ZADGRPSCBDWFMB-UHFFFAOYSA-N
rxn:4:200032:222423,CCN1C(=O)C(=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,QDGZQWBSYOSAAC-UHFFFAOYSA-N
rxn:4:202260:222423,COc1c(-c2ccc(C3=NN(S(=O)(=O)c4ccccc4)C(c4ccc(F)cc4)C3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DKMJMOSAAJIBTA-UHFFFAOYSA-N
rxn:4:202321:222423,COc1c(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCCCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JRPNNYNDEAATBJ-UHFFFAOYSA-N
rxn:4:213451:223533,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(CN6CCN(C(=O)OC(C)(C)C)CC6)cc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,XREDFHCAMNFQEC-UHFFFAOYSA-N
rxn:4:213451:224316,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(F)cc(C(=O)N6CCN(C)CC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,RLTKGWFRDZNISI-UHFFFAOYSA-N
rxn:4:213473:222423,COc1c(-c2ccc(CSc3nc4sc5c(c4c(=O)n3-c3ccccc3C)CCN(C(C)=O)C5)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VTDOMMFPUGYFKH-UHFFFAOYSA-N
rxn:4:213481:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cncc(C(=O)OCC4CN(C)C5Cc6cn(C)c7cccc(c67)C5(OC)C4)c3)c2)CC1,HLJPYCSHLXSAHY-UHFFFAOYSA-N
rxn:4:214859:222423,COc1c(-c2ccc(S(=O)(=O)N3CCCC(c4ccn(C)n4)C3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GGGQSMXCLLRRMH-UHFFFAOYSA-N
rxn:4:215294:222389,CC(C)(C)c1ccc(-n2nc(-c3ccccc3)c3cnc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c32)cc1,CIXWZNLZCDMFON-UHFFFAOYSA-N
rxn:4:218774:224668,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cc(F)cc(N7CCN(CC)CC7)c6)ccc5OC)oc4C)ccn3n2)cc1,JJBNCJUFOJGBBY-UHFFFAOYSA-N
rxn:4:221149:222423,COc1c(-c2cnc(OCC3CCCN(c4ccc(C#N)cn4)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RAXOJYFELAGWIU-UHFFFAOYSA-N
rxn:4:221201:222872,COc1cc(C(=O)NC2CC2)ccc1-c1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)cc1,SAVTXDMLPQAYHA-HXUWFJFHSA-N
rxn:4:221538:223841,Cc1cc(F)c(-c2ccc(Cn3c(CN4CCCCC4C)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,CWZJLHDOIIBHCJ-UHFFFAOYSA-N
rxn:4:221571:224405,Cn1c(=O)n(CC=Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)cc1,ZDXRHVVDVBGFAY-UHFFFAOYSA-N
rxn:4:221571:225594,Cn1c(=O)n(CC=Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(F)cc2CN2CCCC2)cc1,UBJNZTPIJZMEKH-UHFFFAOYSA-N
rxn:4:221750:222423,COc1c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CC(C)=O)c(=O)n3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZCOATBBCYFWPMM-UHFFFAOYSA-N
rxn:4:221768:224398,Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)c(=O)n2C)cc1C,RITYFXVRTFGIFB-UHFFFAOYSA-N
rxn:4:221781:222702,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)c(=O)n2C)c1C,JNFOMXQVKDOWOR-UHFFFAOYSA-N
rxn:4:221782:222522,COc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCC(O)CC1,JFKNDGZOWWTUGC-UHFFFAOYSA-N
rxn:4:221782:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(C)cc3C)n(C)c2=O)cc1,HKXKBPVXWYUIOR-UHFFFAOYSA-N
rxn:4:221782:222930,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cnc(Cl)c(N5CCCC(O)C5)c4)cc3)c(=O)n2C)c(C)c1,BKZSROJKTFYTMC-UHFFFAOYSA-N
rxn:4:221782:222956,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(C)cc4C4CCCNC4)cc3)c(=O)n2C)c(C)c1,AJMDDXLMSNAYQK-UHFFFAOYSA-N
rxn:4:221782:222997,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(Cl)cc4C4CCCNC4)cc3)c(=O)n2C)c(C)c1,FCDVXXPRKPKAED-UHFFFAOYSA-N
rxn:4:221784:222998,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(F)cc(C5CCCNC5)c4)cc3)n(C)c2=O)c1,LJOIRRNRWPRRNL-UHFFFAOYSA-N
rxn:4:221786:223697,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)cc3)c(=O)n2C)cc1C,NQGBTKDAXABAJI-UHFFFAOYSA-N
rxn:4:221787:223007,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)cc(C5CCNCC5)c4)cc3)c(=O)n2C)c1,PLPXPDCZXZXLCA-UHFFFAOYSA-N
rxn:4:221790:222847,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C#N)cc(C4CCCNC4)c3)cc2)n(C)c1=O,TVVZXMFCZSLQSN-UHFFFAOYSA-N
rxn:4:221790:223006,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(F)c(C4CCNCC4)c3)cc2)n(C)c1=O,AQGKHBPRBZXBKH-UHFFFAOYSA-N
rxn:4:221790:225592,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)ccc3CN3CCCC3)cc2)n(C)c1=O,VTUTZQJVBBBXSX-UHFFFAOYSA-N
rxn:4:221791:223008,Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCNCC3)ccc2F)cc1,DBRJAQKEQAJSJL-UHFFFAOYSA-N
rxn:4:221791:225591,Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(CN3CCCC3)ccc2F)cc1,URJXUFKFTMVCPJ-UHFFFAOYSA-N
rxn:4:221928:222701,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(C5CCCNC5)cc(C(F)(F)F)c4)ccc3OC)nnc12,UROLMXPNBOOFJZ-UHFFFAOYSA-N
rxn:4:221995:224600,Cc1ccc(-c2cc(F)c(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)c(C)n56)n(C)c4=O)cc3)cc2F)cc1,XBUZAGPAFLDBKB-UHFFFAOYSA-N
rxn:4:222142:224214,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)ccc2OCc2ccc(Cl)cc2)cc1,PIJNGUJDOHKUTJ-UHFFFAOYSA-N
rxn:4:222362:222630,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C7CCC7)nc(C7CCNCC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,XNTMZFDBDSJLLA-UHFFFAOYSA-N
rxn:4:222362:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1,SYIXGTPKMMBTHQ-UHFFFAOYSA-N
rxn:4:222362:225053,CC1CCCCN1c1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(F)c1,WJVOMOQRIYXFNV-UHFFFAOYSA-N
rxn:4:222363:223846,Cc1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc(C2CC3CCC2(C)C3(C)C)c1,VUIHPQQEXIQHOO-UHFFFAOYSA-N
rxn:4:222363:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,MJISTCNQANYVRM-UHFFFAOYSA-N
rxn:4:199911:223570,COC(=O)Cn1c(=NC(=O)c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)s2)sc2cc(OC)ccc21,SQWNXUGTIMPRTM-UHFFFAOYSA-N
rxn:4:200025:223179,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,LROJGMGFBOOZIN-UHFFFAOYSA-N
rxn:4:201190:222461,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(-c2c(F)cc(F)c4sc(NC(=O)OC(C)(C)C)nc24)c1)N(CCCN1CCOCC1)C3=O,SQRIOLHIXIZWPT-UHFFFAOYSA-N
rxn:4:202705:222423,COc1c(-c2ccc(-n3c(SCc4cc(C)ccc4C)nc4c(c3=O)SCC4)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,PEGBSPXNPXWOQD-UHFFFAOYSA-N
rxn:4:202750:222423,COc1c(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCC(C)CC4)cnc4ccc(F)cc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QTZWNPYOEAKIIE-UHFFFAOYSA-N
rxn:4:203478:222423,COc1c(-c2cnc(OC3CCOCC3)c(C#N)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SNEWJKIXUBMVHO-UHFFFAOYSA-N
rxn:4:206180:227668,COc1c(F)cc(-c2cnc(OC3CCSCC3)nc2)c(C)c1F,KEAJGDOPQJZLJR-UHFFFAOYSA-N
rxn:4:212745:223728,CCCCCC1CCC(c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2)CC1,KDMIUYLIOGBPAI-UHFFFAOYSA-N
rxn:4:213279:222423,COc1c(-c2ccc(C3=NN(S(=O)(=O)c4ccc(C)cc4)C(c4cccc([N+](=O)[O-])c4)C3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ARHHILXFJSFQIK-UHFFFAOYSA-N
rxn:4:213445:222462,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6c(F)cc7nc(NC(=O)OC(C)(C)C)sc7c6F)c(OC)ccc5c4)nc23)cc1OC,SCZUWMVPQWMLIH-UHFFFAOYSA-N
rxn:4:213448:222462,COc1ccc(C2CC(c3c(C)nc4ccc(-c5c(F)cc6nc(NC(=O)OC(C)(C)C)sc6c5F)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,DTVAQZWHZAGTEF-UHFFFAOYSA-N
rxn:4:213703:222423,COc1c(-c2ccc(C#N)c(Oc3cnn(C4CCCCO4)c3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HLRWJJGEVZAJQQ-UHFFFAOYSA-N
rxn:4:214358:222624,CC(=O)N1N=C(c2c(C)nc3ccc(-c4cc(CC(C)C)nc(C5CCNCC5)c4)cc3c2-c2ccccc2)CC1c1ccccc1F,ATVDUPPVRJGCIY-UHFFFAOYSA-N
rxn:4:214386:222423,COc1cc(OC)c2cc(C(=O)N3CCc4[nH]c5c(-c6cccc(-c7nc8ccc9[nH]ncc9c8c8c7CCC8)c6OC)cccc5c4C3)n(C)c2c1,QSDOTJKAAPWRBC-UHFFFAOYSA-N
rxn:4:214388:226432,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C5CCCC5)nc4F)c(OC)cc12)CC3,LUZOCWLRWCKBRM-UHFFFAOYSA-N
rxn:4:214388:226668,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(F)cc(-n5ccnc5)c4)c(OC)cc12)CC3,BIJWKDBGCWZBLP-UHFFFAOYSA-N
rxn:4:218755:222489,COc1ccc(CNc2cc(-c3cc4c(s3)c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)n4CC#N)ccn2)c(OC)c1,DFCHHODGQZVCGH-UHFFFAOYSA-N
rxn:4:219130:222462,COc1ccc2[nH]c(CN3CCN(C(=O)c4ccc(-c5c(F)cc6nc(NC(=O)OC(C)(C)C)sc6c5F)o4)CC3)nc2c1,HKGUBEYFUBFOJW-UHFFFAOYSA-N
rxn:4:221569:222848,CCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(OC)cc4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,ZMHWRVBMSLVLIZ-UHFFFAOYSA-N
rxn:4:221574:223008,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4F)cc3)c(=O)n2C)cc1,DIPPCKXLPHGAJN-UHFFFAOYSA-N
rxn:4:221743:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(-c2c(C)nn3c2nnc2c(=O)n(-c4ccc(OC)cc4)ccc23)cc1,QYWHYPFKJMZLOF-UHFFFAOYSA-N
rxn:4:221778:224376,CC1CN(c2ccc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1,FPUXPSVSOABALP-UHFFFAOYSA-N
rxn:4:221782:222929,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cnc(Cl)c(N5CCC(O)CC5)c4)cc3)c(=O)n2C)c(C)c1,DRHULVNBOWIONF-UHFFFAOYSA-N
rxn:4:221783:222822,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)NC5CC5)c(C)cc4F)cc3)c(=O)n2C)c1,FUPQATSAXVNHIR-UHFFFAOYSA-N
rxn:4:221784:223133,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccccc4N4CCNCC4)cc3)n(C)c2=O)c1,DNNMNIYDOGXFSY-UHFFFAOYSA-N
rxn:4:221785:222850,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C5CCNCC5)ccc4C#N)cc3)n(C)c2=O)c1,YGYYOFFGKOUHIL-UHFFFAOYSA-N
rxn:4:221785:222986,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C)nc(C5CCCNC5)c4)cc3)n(C)c2=O)c1,PBCGPZITTWKLGT-UHFFFAOYSA-N
rxn:4:221786:222702,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)c(=O)n2C)cc1C,VTNDHNWCFANZIH-UHFFFAOYSA-N
rxn:4:221786:223009,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(Cl)cc(C5CCNCC5)c4)cc3)c(=O)n2C)cc1C,JYGDMBLDRMLSGE-UHFFFAOYSA-N
rxn:4:221789:222826,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cc3)n(C)c2=O)cc1,OEBZSPJAAWMUDW-UHFFFAOYSA-N
rxn:4:221790:222846,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C4CCCNC4)ccc3C#N)cc2)n(C)c1=O,DQMGVKISJCHVNP-UHFFFAOYSA-N
rxn:4:221790:225595,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(F)c(CN4CCCC4)c3)cc2)n(C)c1=O,ZGSDPJKAGJGQMY-UHFFFAOYSA-N
rxn:4:221791:223054,CC(c1ccc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)cc2)s1)N1CCC(O)C1,SBJSFSFUDNITFY-UHFFFAOYSA-N
rxn:4:221986:223827,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(C(F)(F)F)ccc3N3CCN(CC)CC3)cc2)CC1,QOUQSRYVTQOOSY-UHFFFAOYSA-N
rxn:4:222137:224226,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(Cl)c(OCc3ccccc3)c2F)cc1,ZBTMSZSXOVCUFR-UHFFFAOYSA-N
rxn:4:222205:222389,Cc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,IHEWHGUZOONPIJ-UHFFFAOYSA-N
rxn:4:222362:224239,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(F)c(F)c6OCc6ccccc6)cc6[nH]ncc56)nn4)cn3c2)CC1,LBJUTPOHBXJOSC-UHFFFAOYSA-N
rxn:4:222363:223872,CCN(C(=O)c1cccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1)C1CCCCC1,PRFSYDPWOUVSIR-UHFFFAOYSA-N
rxn:4:222363:224351,Cc1cc(CN2CCN(c3c(-c4ccc(C5CCCCO5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CJQXWIPBBYJZDX-UHFFFAOYSA-N
rxn:4:200635:222423,COc1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,XPFNZQXEMVNRAZ-UHFFFAOYSA-N
rxn:4:201189:223578,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)cc1,RIUPRDCDVQQDDY-UHFFFAOYSA-N
rxn:4:202708:223179,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,HYVZYAAPWHUUGF-UHFFFAOYSA-N
rxn:4:213427:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(-n3c(SCC(=O)N4CCCc5ccccc54)nc4c(c3=O)SCC4)cc2)CC1,YGPLPVAAGWOIOX-UHFFFAOYSA-N
rxn:4:213445:222486,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cncc(-c7cncc(C8CCCCN8)c7)c6)c(OC)ccc5c4)nc23)cc1OC,NNJDFLHXMYYKQI-UHFFFAOYSA-N
rxn:4:213445:223828,CCN1CCN(c2cc(-c3c(OC)ccc4cc(-c5nc6c(-c7ccc(OC)c(OC)c7)cnn6cc5C)ccc34)cc(C(F)(F)F)c2)CC1,KTORUZIBJSICIJ-UHFFFAOYSA-N
rxn:4:213449:222462,COc1ccccc1C1CC(c2c(C)nc3ccc(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)cc3c2-c2ccccc2)=NN1C(C)=O,QHNWCPICMQMPIA-UHFFFAOYSA-N
rxn:4:213450:222717,Cc1cc(-c2ccc3nc(C)c(C4=NN(C(=O)C(C)C)C(c5ccccc5F)C4)c(-c4ccccc4)c3c2)c(S(=O)(=O)NC(C)(C)C)cc1F,OJFMOOPVBYNNOV-UHFFFAOYSA-N
rxn:4:213473:222486,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cncc(-c6cncc(C7CCCCN7)c6)c5)cc4)n(-c4ccccc4C)c(=O)c23)C1,BVGWJGRWHBXRTK-UHFFFAOYSA-N
rxn:4:213480:222462,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,HYBOEQPTDMFVDV-JYUCMUJCSA-N
rxn:4:214385:222537,COc1cc2cc(C(=O)N3CCc4[nH]c5c(-c6cc(C7CCCC7)nc(C7CCCNC7)c6)cccc5c4C3)n(C)c2cc1OC,BBYSCNLRIZWNAZ-UHFFFAOYSA-N
rxn:4:214388:225733,CCCCOc1cc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c(F)cc1F,BFOKBLBJGHRLIX-UHFFFAOYSA-N
rxn:4:218694:222389,Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc2-c2nccs2)C1,PACGJKXODSSAOO-WBBHLRKXSA-N
rxn:4:218694:223841,Cc1cc(F)c(-c2ccc(-c3nccs3)c(C(=O)N3C[C@H](Oc4nccc(C#N)c4C)CC[C@H]3C)c2)cc1S(=O)(=O)N1CCN(C)CC1,UTNYWFQTXCBXHF-YIXXDRMTSA-N
rxn:4:218774:222929,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cnc(Cl)c(N7CCC(O)CC7)c6)ccc5OC)oc4C)ccn3n2)cc1,YVVBWMAIBQGNPU-UHFFFAOYSA-N
rxn:4:218788:223841,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1ccccc1-c1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1F,GEFZVYOJOCRLBH-UHFFFAOYSA-N
rxn:4:219746:222389,Cc1cccc(Cn2c(=O)c3c(nc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)n3Cc3ccccc3Cl)n(C)c2=O)c1,JTXDXVIWBPOSOI-UHFFFAOYSA-N
rxn:4:221376:227668,COc1c(F)cc(-c2cnc(OC3CCN(c4cc(C5CC5)ncn4)CC3)nc2)c(C)c1F,NSERDXGEGGQHCQ-UHFFFAOYSA-N
rxn:4:221559:222423,COCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)n(C)c1=O,ILUJPTOBIQWGMV-UHFFFAOYSA-N
rxn:4:221565:222729,CCCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n(Cc6ccco6)c(C)c(C)n45)n(C)c3=O)cc2)cc(C2CCCNC2)n1,SSHTZYBLTOGANR-UHFFFAOYSA-N
rxn:4:221574:222846,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C#N)cc3)c(=O)n2C)cc1,OCQJWFZPXRCJGD-UHFFFAOYSA-N
rxn:4:221574:225900,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc([N+](=O)[O-])ccc4CN(C)C)cc3)c(=O)n2C)cc1,CYUNYMQMXCAFNX-UHFFFAOYSA-N
rxn:4:221752:222488,CCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(NC(=O)OCc4ccccc4)cnc3C)cc2)n(C)c1=O,KVFFZTYXFSNMAI-UHFFFAOYSA-N
rxn:4:221761:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3c(F)cccc3Cl)c(=O)n2C)cc1,YKZGUDCVZLYTEQ-UHFFFAOYSA-N
rxn:4:221774:222956,Cc1ccc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4C)c(=O)n3C)cc2)c(C2CCCNC2)c1,XRZDDQZSRXJBOB-UHFFFAOYSA-N
rxn:4:221776:224950,COc1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)c(CN2CCCC2)c1,KHBHDDFKINEKFV-UHFFFAOYSA-N
rxn:4:221781:222725,CCNS(=O)(=O)c1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4cccc(C)c4C)n(C)c3=O)cc2)c(C(F)(F)F)c1,UTPCMTJDSJXUGV-UHFFFAOYSA-N
rxn:4:221782:222846,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C#N)cc3)c(=O)n2C)c(C)c1,CLBDBUYRULUTRK-UHFFFAOYSA-N
rxn:4:221782:222998,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)cc(C5CCCNC5)c4)cc3)c(=O)n2C)c(C)c1,KOKIIJXGJXDQCX-UHFFFAOYSA-N
rxn:4:221784:223008,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(C5CCNCC5)ccc4F)cc3)n(C)c2=O)c1,YOLKKQOWGNALKE-UHFFFAOYSA-N
rxn:4:221785:225594,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(F)cc4CN4CCCC4)cc3)n(C)c2=O)c1,OVMLYDLRTFVWAW-UHFFFAOYSA-N
rxn:4:221786:223001,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)c(=O)n2C)cc1C,FCRITTOXTRJOCZ-UHFFFAOYSA-N
rxn:4:221787:222846,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C#N)cc3)c(=O)n2C)c1,LZJWBUWSKOGYHU-UHFFFAOYSA-N
rxn:4:221788:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(C)cc3)n(C)c2=O)cc1,QPKVYYBQMNJEDR-UHFFFAOYSA-N
rxn:4:221790:222524,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc2)n(C)c1=O,MNAPTOJQLFHZLA-UHFFFAOYSA-N
rxn:4:221790:222702,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2)n(C)c1=O,NGZGGWJXRFOVJY-UHFFFAOYSA-N
rxn:4:221990:223699,COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,PIAPAIQENDPDKP-UHFFFAOYSA-N
rxn:4:222137:224202,Cc1cc(Cl)c(-c2ccc(-n3c(C)cn4c5c(=O)n(CCN6CCOCC6)c(=O)n(C)c5nc34)cc2)cc1OCc1cccnc1,UIYZDRLXLYVPAH-UHFFFAOYSA-N
rxn:4:222144:225289,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(C(F)(F)F)ccc2OC(C)C)cc1,DVCNKBYYMGHXSI-UHFFFAOYSA-N
rxn:4:222250:223842,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCC(C)CC5)cc4)c(=O)n(C)c3nc2n1CCCn1ccnc1,GIHHRDTXHNIOEW-UHFFFAOYSA-N
rxn:4:222362:222458,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(=O)Nc7cccc([N+](=O)[O-])c7)ccc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,CUIPFFHPYOLPAG-UHFFFAOYSA-N
rxn:4:222363:224837,Cc1cc(CN2CCN(c3c(-c4ccc5cc6ccccc6cc5c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IORPCVHXDGYGOM-UHFFFAOYSA-N
rxn:4:199597:222423,COc1c(-c2cc(OC(F)(F)F)ccc2OCCN2CCN(C)CC2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QKAMDIWAIFNHBL-UHFFFAOYSA-N
rxn:4:200025:223231,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3ccc(C(=O)NC)c(C)c3)ccc21,CLGCARUYPGQHQZ-UHFFFAOYSA-N
rxn:4:201186:223492,CCCOc1ccc(C2c3c(oc4ccc(-c5ccc(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c(C)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,ZXQNXCCVTXGGJC-UHFFFAOYSA-N
rxn:4:202673:222423,COc1c(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCCC4)cnc4ccc(F)cc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JOYBAGZIQZKZAI-UHFFFAOYSA-N
rxn:4:202798:222389,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1,IMOFPXGHLOYOMZ-UHFFFAOYSA-N
rxn:4:212594:227668,COc1c(F)cc(-c2cnc(OC3CCN(C(=O)CSC4CCCC4)C3)nc2)c(C)c1F,OYDMIYASHCTWQL-UHFFFAOYSA-N
rxn:4:212741:223845,CC1CN(Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,FLWDCYCWCMDRHP-UHFFFAOYSA-N
rxn:4:213445:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3c(OC)ccc4cc(-c5nc6c(-c7ccc(OC)c(OC)c7)cnn6cc5C)ccc34)c2)CC1,HWOTXHCXTKMXRX-UHFFFAOYSA-N
rxn:4:214388:223536,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(F)c(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4)c(OC)cc12)CC3,XBESVWSZNVZBNX-UHFFFAOYSA-N
rxn:4:215275:222423,COc1c(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C(c2ccc([N+](=O)[O-])cc2)O3)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OMONMTRPVASNCE-UHFFFAOYSA-N
rxn:4:218778:223841,Cc1cc(F)c(-c2cc(Cl)cc3c2nc(N2CC4(CN(C(=O)OC(C)(C)C)C4)C2)n3Cc2cc(C)c(F)c(C)c2)cc1S(=O)(=O)N1CCN(C)CC1,RLBMFRXOPCCLTB-UHFFFAOYSA-N
rxn:4:219189:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OC)c(-c2nc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)c(C)o2)c1,HVELMDBLEDYCMB-UHFFFAOYSA-N
rxn:4:219780:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1cc2c(cc1C(F)F)N(c1nn(C3CCOCC3)c3c1CN(C(C)=O)CC3)CCC2,FEOXLKTXZMPMOA-UHFFFAOYSA-N
rxn:4:221277:222462,Cn1c(=O)n(Cc2ccc(-c3c(F)cc4nc(NC(=O)OC(C)(C)C)sc4c3F)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,SWRKBDBXNPAIEX-UHFFFAOYSA-N
rxn:4:221566:223827,CCc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C(F)(F)F)ccc4N4CCN(CC)CC4)cc3)c(=O)n2C)cc1,BIGTUZUXGVPEOJ-UHFFFAOYSA-N
rxn:4:221774:222702,Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2)n(C)c1=O,MGJPGKYKWRNTCU-UHFFFAOYSA-N
rxn:4:221774:222706,Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(C4CCNCC4)ccc3C(F)(F)F)cc2)n(C)c1=O,SNIJRYIBNKAGPN-UHFFFAOYSA-N
rxn:4:221774:223541,Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)n(C)c1=O,NJNVPRUYDAQGID-UHFFFAOYSA-N
rxn:4:221776:222889,CC1CN(c2ccc(-c3cc(F)cc(CN4CCNCC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,IYWTZHCRWUPRFL-UHFFFAOYSA-N
rxn:4:221776:222956,Cc1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)c(C2CCCNC2)c1,VGUITUXTCLPHFK-UHFFFAOYSA-N
rxn:4:221781:223001,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)c(=O)n2C)c1C,COZIOZLPCVEKOE-UHFFFAOYSA-N
rxn:4:221783:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3cccc(C)c3)n(C)c2=O)cc1,RCWCLUROSTZGCF-UHFFFAOYSA-N
rxn:4:221784:222846,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(C5CCCNC5)ccc4C#N)cc3)n(C)c2=O)c1,ABCXGYCMUWKUKG-UHFFFAOYSA-N
rxn:4:221785:222824,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(S(=O)(=O)NC(C)C)c(C)cc4F)cc3)n(C)c2=O)c1,VWGXWYMGEXRZAN-UHFFFAOYSA-N
rxn:4:221785:222996,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(F)cc4C4CCCNC4)cc3)n(C)c2=O)c1,YJWWWHVCNMMLNK-UHFFFAOYSA-N
rxn:4:221786:225594,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4CN4CCCC4)cc3)c(=O)n2C)cc1C,VVGKVPVGXPYEKB-UHFFFAOYSA-N
rxn:4:221789:222822,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(S(=O)(=O)NC5CC5)c(C)cc4F)cc3)n(C)c2=O)cc1,SMVYGTHNTUYHET-UHFFFAOYSA-N
rxn:4:221789:222846,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C5CCCNC5)ccc4C#N)cc3)n(C)c2=O)cc1,VUQJSQSABRIYGK-UHFFFAOYSA-N
rxn:4:221789:222996,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(F)cc4C4CCCNC4)cc3)n(C)c2=O)cc1,HWTLCHBUKXSKGO-UHFFFAOYSA-N
rxn:4:221790:222824,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(S(=O)(=O)NC(C)C)c(C)cc3F)cc2)n(C)c1=O,KLEIUNVLVBKFPP-UHFFFAOYSA-N
rxn:4:221790:222850,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C4CCNCC4)ccc3C#N)cc2)n(C)c1=O,QSUOEJUKGRQZFB-UHFFFAOYSA-N
rxn:4:221793:222956,Cc1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)cc2)c(C2CCCNC2)c1,PFIFUJHMDSGUKG-UHFFFAOYSA-N
rxn:4:221995:225249,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cncc(-c6cc(F)cc(F)c6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,UNUTWTQXGCVKAG-UHFFFAOYSA-N
rxn:4:222138:224214,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)ccc2OCc2ccc(Cl)cc2)cc1,OEKGMFLFKCQASN-UHFFFAOYSA-N
rxn:4:222205:223570,Cc1ccc(-c2nnc3n(Cc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,XVHHFNXHMKMWRV-UHFFFAOYSA-N
rxn:4:222263:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(-c4noc(Cn5cnc6c(nnn6Cc6ccc(F)cc6)c5=O)n4)ccc3F)c2)CC1,VUORBNHRFWTLIB-UHFFFAOYSA-N
rxn:4:222363:223876,Cc1cc(CN2CCN(c3c(-c4cc(C)c(OCc5ccccc5Cl)c(C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JSZFSBUDQALGDS-UHFFFAOYSA-N
rxn:4:200021:223180,CCCCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3ccc(C(=O)NOC)c(F)c3)ccc21,ATOFIRKOBFKFMQ-UHFFFAOYSA-N
rxn:4:200277:222741,O=[N+]([O-])c1ccc(OCCN2CCCC2)c(-c2cc(C3CC3)nc(C3CCCNC3)c2)c1,YRIPGZRVIAWBFH-UHFFFAOYSA-N
rxn:4:201186:223530,CCCOc1ccc(C2c3c(oc4ccc(-c5cc(F)ccc5CN5CCN(C(=O)OC(C)(C)C)CC5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,LXLQKFRSYNTPKD-UHFFFAOYSA-N
rxn:4:212839:222698,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C(=O)N5CCC(O)CC5)c(Cl)c4)ccn23)CC1,KYELCPYSGHWTPI-UHFFFAOYSA-N
rxn:4:213405:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-n4c(C)cc(C(=O)CSc5ncnc6sc(C)c(C)c56)c4C)cc3)c(F)cc2C)CC1,VPYZHXPFJOPYBI-UHFFFAOYSA-N
rxn:4:213438:222423,COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,KQHKZPPHOJHROZ-UHFFFAOYSA-N
rxn:4:213445:223953,COCCN1CCN(c2cc(F)cc(-c3c(OC)ccc4cc(-c5nc6c(-c7ccc(OC)c(OC)c7)cnn6cc5C)ccc34)c2)CC1,HRCKCFLCMCRKCN-UHFFFAOYSA-N
rxn:4:213445:224668,CCN1CCN(c2cc(F)cc(-c3c(OC)ccc4cc(-c5nc6c(-c7ccc(OC)c(OC)c7)cnn6cc5C)ccc34)c2)CC1,QTNNGSMHDXEHOC-UHFFFAOYSA-N
rxn:4:213451:223952,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OCCN6CCN(C)CC6)c(Cl)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,KQOXYRQKAQGMBU-UHFFFAOYSA-N
rxn:4:213451:226459,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C#N)cc6ncn(C)c56)cc43)C(=O)N2c2ccc(CC)cc2)cc1,JFFHIWKZRTWHOT-UHFFFAOYSA-N
rxn:4:214050:222423,COc1c(-c2cnc(N3C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]3C)c(F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LUSFBADNKSNOLB-RTWAWAEBSA-N
rxn:4:214388:226572,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cnc(OC5CCCC5)nc4)c(OC)cc12)CC3,ZMGBSNJOLWWGLQ-UHFFFAOYSA-N
rxn:4:221563:222423,COc1c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCC(C)C)c(=O)n3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OEOJQUVADYRYDP-UHFFFAOYSA-N
rxn:4:221574:226039,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cn(S(=O)(=O)N(C)C)nc4CC)cc3)c(=O)n2C)cc1,CUOOAUYJGWTDFV-UHFFFAOYSA-N
rxn:4:221757:222524,Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1,AGZJICFVYUWEKP-UHFFFAOYSA-N
rxn:4:221770:224398,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)c(=O)n2C)c1,TUERHMBEMJCWMA-UHFFFAOYSA-N
rxn:4:221771:222891,COc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CC(C)CN5c4ccccc4)n(C)c3=O)cc2)cc(C2CCNCC2)n1,FNEJYTZIYOXPGY-UHFFFAOYSA-N
rxn:4:221776:222702,CC1CN(c2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,MXCQPMGXFLRRBA-UHFFFAOYSA-N
rxn:4:221776:222706,CC1CN(c2ccc(-c3cc(C4CCNCC4)ccc3C(F)(F)F)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,YECYZWAQCPUIHR-UHFFFAOYSA-N
rxn:4:221781:224017,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(N5CCCS5(=O)=O)cc4C(F)(F)F)cc3)c(=O)n2C)c1C,RTPVLDOBNILVOX-UHFFFAOYSA-N
rxn:4:221782:222630,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c(C)c1,GBWMMBHVDVCUAN-UHFFFAOYSA-N
rxn:4:221784:222700,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccc(C(F)(F)F)cc4C4CCCNC4)cc3)n(C)c2=O)c1,CLFDGBRACVLOOK-UHFFFAOYSA-N
rxn:4:221784:222857,COc1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4cc(C)ccc4C)c(=O)n3C)cc2)cc(C2CCNCC2)c1,JBGGIMQSKNEJFU-UHFFFAOYSA-N
rxn:4:221784:222889,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(F)cc(CN5CCNCC5)c4)cc3)n(C)c2=O)c1,XHWSDJWRXOVCFY-UHFFFAOYSA-N
rxn:4:221784:223006,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccc(F)c(C5CCNCC5)c4)cc3)n(C)c2=O)c1,ZPVGJMVOFOPOTO-UHFFFAOYSA-N
rxn:4:221785:222702,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)n(C)c2=O)c1,QNVKDSKZFQCPIJ-UHFFFAOYSA-N
rxn:4:221785:222846,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C5CCCNC5)ccc4C#N)cc3)n(C)c2=O)c1,YJKHDLINMQYASY-UHFFFAOYSA-N
rxn:4:221785:223001,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)n(C)c2=O)c1,VCFOCCXHBBAYBG-UHFFFAOYSA-N
rxn:4:221786:223007,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)cc(C5CCNCC5)c4)cc3)c(=O)n2C)cc1C,ICEPUGKTVUURCY-UHFFFAOYSA-N
rxn:4:221790:222886,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(N4CCNCC4)cc3C#N)cc2)n(C)c1=O,UDMNQKUIPBPZCX-UHFFFAOYSA-N
rxn:4:221790:222998,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)cc(C4CCCNC4)c3)cc2)n(C)c1=O,VMWJYEJVPDQKSC-UHFFFAOYSA-N
rxn:4:221791:223007,Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)cc(C3CCNCC3)c2)cc1,RNVRHCRVGVMTTM-UHFFFAOYSA-N
rxn:4:221917:223845,CCCc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)c4)CC3)nn2)n1,RNIPEDADUUXUNW-UHFFFAOYSA-N
rxn:4:221990:223686,COc1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,QTMZEIIWKXUMME-UHFFFAOYSA-N
rxn:4:221995:224070,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cncc(-c6ccc(C(C)(C)C)cc6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,OLVUECVPYCDUEF-UHFFFAOYSA-N
rxn:4:221995:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,SJFLQARODYXRON-UHFFFAOYSA-N
rxn:4:222142:222702,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(C3CCCNC3)ccc2C(F)(F)F)cc1,JXRABKVSBSCMPU-UHFFFAOYSA-N
rxn:4:222195:222450,COc1ccc(CNS(=O)(=O)c2cccc(-c3cccc(Cn4c(N5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)c3)c2)cc1,IHNIOUVRVXURMN-UHFFFAOYSA-N
rxn:4:222362:224309,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c6F)cc6[nH]ncc56)nn4)cn3c2)CC1,BKSKTXWKFRCRIR-UHFFFAOYSA-N
rxn:4:222362:225603,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(C7(C#N)CCC7)c6F)cc6[nH]ncc56)nn4)cn3c2)CC1,JLODCVXTTVOCFL-UHFFFAOYSA-N
rxn:4:222363:226339,Cc1cc(CN2CCN(c3c(-c4cc(C#N)cc(Cl)c4C4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DZYSSIJSNOFCJE-UHFFFAOYSA-N
rxn:4:187949:223570,COc1cc(N2Cc3cc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)ccc3OCC2=O)cc(OC)c1OC,GCWFTPUCUIWRNN-UHFFFAOYSA-N
rxn:4:201131:223570,CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)o3)c(=O)n2C1c1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,LORFHIMBQFWKEX-UHFFFAOYSA-N
rxn:4:202708:223158,CCNC(=O)c1ccc(-c2ccc3c(c2)C(=C2SC(=S)N(Cc4ccc(OC)cc4)C2=O)C(=O)N3CC)cc1F,KXJZRWBICNBEBR-UHFFFAOYSA-N
rxn:4:204790:222423,COc1ccc(N2C(=O)N(c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)C3CS(=O)(=O)CC32)cc1,ZURDWGRNOMTTOM-UHFFFAOYSA-N
rxn:4:212846:224662,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(F)ccc5CN5CCN(C)CC5)cc4)n(Cc4ccco4)c(=O)c23)C1,DEAQBXUYEOPCEY-UHFFFAOYSA-N
rxn:4:213480:222518,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(F)c5sc(NC(=O)OC(C)(C)C)nc45)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,LAXHSJRHALAAHT-DLBLUJHTSA-N
rxn:4:214027:222423,COc1c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OHYUEUIBZJHDEF-UHFFFAOYSA-N
rxn:4:214855:227668,COc1c(F)cc(-c2cnc(OC3CCN(C4CCSCC4)CC3)nc2)c(C)c1F,FZBHZSHMAMPRFX-UHFFFAOYSA-N
rxn:4:218787:222486,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2cncc(-c3cncc(C4CCCCN4)c3)c2)c1,HEURTWGJANBGHA-UHFFFAOYSA-N
rxn:4:221130:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(SCC(=O)N5CCN(c6ccccc6OC)CC5)n5c6ccccc6nc5c4c3)c(F)cc2C)CC1,HBWUFLCMCBPHRR-UHFFFAOYSA-N
rxn:4:221271:224004,Cn1c(=O)n(CCCO)c(=O)c2c1nc1n(-c3ccc(-c4cnc(Cl)c(-c5ccc(C(F)(F)F)cc5)c4)cc3)c(-c3ccccc3)cn21,BJAWZGZUQMULBN-UHFFFAOYSA-N
rxn:4:221277:222846,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCNC4)ccc3C#N)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,FAKITGMPVDJXCA-UHFFFAOYSA-N
rxn:4:221571:224290,Cn1c(=O)n(CC=Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1,HDOBEGDZJUGZOT-UHFFFAOYSA-N
rxn:4:221572:222538,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2)n(C)c1=O,SKUINXPFEQSXPT-UHFFFAOYSA-N
rxn:4:221760:222462,Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c1nc1n2CCCN1c1ccc(-c2c(F)cc3nc(NC(=O)OC(C)(C)C)sc3c2F)cc1,DDMSAVMRVPBOMS-UHFFFAOYSA-N
rxn:4:221766:222524,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)c(=O)n2C)cc1,SMVJAIGKONGKBP-UHFFFAOYSA-N
rxn:4:221771:222889,CC1CN(c2ccccc2)c2nc3c(c(=O)n(Cc4ccc(-c5cc(F)cc(CN6CCNCC6)c5)cc4)c(=O)n3C)n2C1,YPSIEVJWIBJBLH-UHFFFAOYSA-N
rxn:4:221774:222700,Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)cc2)n(C)c1=O,FWWRNTJBDXQBMD-UHFFFAOYSA-N
rxn:4:221774:222957,Cc1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4C)c(=O)n3C)cc2)cc(C2CCCNC2)c1,JMCKITLAINVUGC-UHFFFAOYSA-N
rxn:4:221774:222960,Cc1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4C)c(=O)n3C)cc2)cc(C2CCNCC2)c1,YGRVAJWVSFFNMH-UHFFFAOYSA-N
rxn:4:221783:224016,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cn(S(=O)(=O)N(C)C)nc4-c4ccccn4)cc3)c(=O)n2C)c1,VVWOYJXYEHTSRZ-UHFFFAOYSA-N
rxn:4:221783:224665,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4CN4CCN(C)CC4)cc3)c(=O)n2C)c1,XWYOHAUPMRHPSL-UHFFFAOYSA-N
rxn:4:221784:224290,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccc(Cl)cc4OCCN4CCOCC4)cc3)n(C)c2=O)c1,WNFLQMIGWWLYKW-UHFFFAOYSA-N
rxn:4:221784:224950,COc1ccc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4cc(C)ccc4C)c(=O)n3C)cc2)c(CN2CCCC2)c1,CTHFZEPUZDWSFN-UHFFFAOYSA-N
rxn:4:221785:222438,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C(=O)Nc5cc([N+](=O)[O-])ccc5F)ccc4Cl)cc3)n(C)c2=O)c1,VDPIHZXSRAGRFW-UHFFFAOYSA-N
rxn:4:221785:225170,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(F)ccc4CN4CCOCC4)cc3)n(C)c2=O)c1,WEIVXJJLZSNAKQ-UHFFFAOYSA-N
rxn:4:221787:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3cc(C)cc(C)c3)n(C)c2=O)cc1,FRHSNCQFJWFTIN-UHFFFAOYSA-N
rxn:4:221787:223001,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)c(=O)n2C)c1,BSACHRAWBZQTCS-UHFFFAOYSA-N
rxn:4:221789:222702,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)n(C)c2=O)cc1,RFWURWVRBVJZJA-UHFFFAOYSA-N
rxn:4:221790:222889,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)cc(CN4CCNCC4)c3)cc2)n(C)c1=O,QPBVBGRUXYEHKJ-UHFFFAOYSA-N
rxn:4:221929:224405,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCCC5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,YDHKLTAUVHNXJB-UHFFFAOYSA-N
rxn:4:221986:223666,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cccc(COc4ccc(OC(F)(F)F)cc4)c3)cc2)CC1,BJLFJQSFAOJLNW-UHFFFAOYSA-N
rxn:4:221987:223598,COCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)ccc3OC)nnc12,VKDFQMCJKOHYOJ-UHFFFAOYSA-N
rxn:4:221995:223663,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(OCc6ccccc6)cc(OC(F)(F)F)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,COWSHPCJNHRPIP-UHFFFAOYSA-N
rxn:4:222137:224212,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)ccc2OCc2ccccc2F)cc1,OBFYWMLGJDSKKB-UHFFFAOYSA-N
rxn:4:222352:223604,CSc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6cccc(Oc7ccc(C(F)(F)F)cc7[N+](=O)[O-])c6)cc5)c(C)nn43)c2=O)[nH]1,AGXQOEBNYOAGNT-UHFFFAOYSA-N
rxn:4:222362:227432,Cc1nc(C2COC2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,GGTZYZNDOBTXQV-UHFFFAOYSA-N
rxn:4:185251:222423,COc1c(-c2ccc(C(=O)OCc3ccccc3)c(N3CCOCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,APCZEXAAWMPBSK-UHFFFAOYSA-N
rxn:4:199624:222423,CCCOc1cc(S(=O)(=O)n2cc(C)nc2CC)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,OFVLYDFRRRPPJR-UHFFFAOYSA-N
rxn:4:202708:223154,CCNC(=O)c1cc(-c2ccc3c(c2)C(=C2SC(=S)N(Cc4ccc(OC)cc4)C2=O)C(=O)N3CC)ccc1F,GUZODHFSTSMPHB-UHFFFAOYSA-N
rxn:4:207828:222423,COc1c(-c2cccc(N3C(=O)N(c4ccc(F)cc4)C4CS(=O)(=O)CC43)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YHERUONXRQPEGT-UHFFFAOYSA-N
rxn:4:212839:223839,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(S(=O)(=O)N5CCN(C)CC5)ccc4OC)ccn23)CC1,CCNBWIZBOCHPJL-UHFFFAOYSA-N
rxn:4:213265:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)N4CCC(N5CCC(Oc6nccs6)CC5)CC4)o3)c(F)ncc21,UPOAFOBFBMHSBJ-UHFFFAOYSA-N
rxn:4:213450:223697,Cc1nc2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,BPFZKMVHUMHKAP-UHFFFAOYSA-N
rxn:4:213451:226800,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(-n6cccn6)ncc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,YBRZPTJFOZNSGQ-UHFFFAOYSA-N
rxn:4:214280:223951,CCCn1c(C2CC(=O)N(c3ccc(-c4ccc(OCCN5CCN(C)CC5)c(F)c4)cc3)C2)nc2ccccc21,IAUBJHONCRZDJH-UHFFFAOYSA-N
rxn:4:214388:223652,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc5c(Cl)ccc(OC)c5n4C(=O)OC(C)(C)C)c(OC)cc12)CC3,UQPNLQSRFSMFJX-UHFFFAOYSA-N
rxn:4:218675:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cncc(C(=O)N4CCC(COc5cc(C6CCC6)ncn5)CC4)c3)c(F)ncc21,YIWCUBGDEPQLLD-UHFFFAOYSA-N
rxn:4:218694:222846,Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cc(-c3cc(C4CCCNC4)ccc3C#N)ccc2-c2nccs2)C1,LBJYJPUAIHNTRS-SLMGNQKFSA-N
rxn:4:218755:222488,Cc1ncc(NC(=O)OCc2ccccc2)cc1-c1cc2c(s1)c(=O)n(C1CCN(C(=O)OC(C)(C)C)CC1)c(=O)n2CC#N,WILTUKYYCHOQDE-UHFFFAOYSA-N
rxn:4:218785:222473,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc(C(=O)NCc4ccccc4)cc3OC)cc1-2,ZINAXBGEVJTGQQ-UHFFFAOYSA-N
rxn:4:219189:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(OC)c(-c3nc(Cn4ccn5nc(-c6ccc(C)c(C)c6)cc5c4=O)c(C)o3)c2)c(F)cc1C,BRILJLPZKKIGIT-UHFFFAOYSA-N
rxn:4:219199:222423,CCCc1nc2c3ccccc3n(CC(=O)c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)c(=O)n2n1,UOQGKPILLFMXOH-UHFFFAOYSA-N
rxn:4:219739:223570,Cc1cccc(-n2c(=O)c3sccc3n(Cc3nc(-c4cccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)c4)no3)c2=O)c1,IMQDTOILXOQBHF-UHFFFAOYSA-N
rxn:4:221273:222702,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,YRDQDHSQEWQYOI-UHFFFAOYSA-N
rxn:4:221274:224795,CCN(CC)S(=O)(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)ccc1F,RHIQGXXBHJTJED-UHFFFAOYSA-N
rxn:4:221539:222509,Cc1ccc(Cl)cc1NC(=O)c1cc(F)cc(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)c1,DWHNMKJUHVFRHU-UHFFFAOYSA-N
rxn:4:221575:222850,CC1CN(c2ccc(-c3cc(C4CCNCC4)ccc3C#N)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,NJQHJYNBONNFNH-UHFFFAOYSA-N
rxn:4:221575:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(N4CC(C)Cn5c4nc4c5c(=O)n(CCc5ccccc5)c(=O)n4C)cc3)c2)CC1,LPUSEOZSKWDGLF-UHFFFAOYSA-N
rxn:4:221757:222462,Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2c(F)cc3nc(NC(=O)OC(C)(C)C)sc3c2F)cc1,YUTZLOPRZQBWNP-UHFFFAOYSA-N
rxn:4:221772:222957,Cc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4)c(=O)n3C)cc2)cc(C2CCCNC2)c1,MQRJXOZECBZZJV-UHFFFAOYSA-N
rxn:4:221776:224664,CC1CN(c2ccc(-c3cc(F)cc(CN4CCN(C)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,WUGCCKLLTQSZMX-UHFFFAOYSA-N
rxn:4:221776:224687,CC1CN(c2ccc(-c3cc(F)cc(CN4CCC(=O)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,PUSYLHBDDIMPEP-UHFFFAOYSA-N
rxn:4:221776:225632,CC1CN(c2ccc(-c3cccc(N4CCN(C)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,OZXNKTNVXNCOBE-UHFFFAOYSA-N
rxn:4:221777:222889,CC1CN(c2ccc(-c3cc(F)cc(CN4CCNCC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,KNRDOASANXZBLE-UHFFFAOYSA-N
rxn:4:221778:222889,CC1CN(c2ccc(-c3cc(F)cc(CN4CCNCC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1,ZXAQBXPCLPOHSB-UHFFFAOYSA-N
rxn:4:221785:225174,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(F)cc4CN4CCOCC4)cc3)n(C)c2=O)c1,SGBDXERTPNJBPR-UHFFFAOYSA-N
rxn:4:221787:224017,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(N5CCCS5(=O)=O)cc4C(F)(F)F)cc3)c(=O)n2C)c1,CMDKVZIDDBZPDN-UHFFFAOYSA-N
rxn:4:221788:224665,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4CN4CCN(C)CC4)cc3)c(=O)n2C)cc1,GXVVZYFSQMAYKR-UHFFFAOYSA-N
rxn:4:221789:222824,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(S(=O)(=O)NC(C)C)c(C)cc4F)cc3)n(C)c2=O)cc1,RDUSBTYSTXYJPT-UHFFFAOYSA-N
rxn:4:221792:222851,CCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CC(C)CN5C4CCCCC4)n(C)c3=O)cc2)cc(C2CCNCC2)n1,JODHEROMUUAWNJ-UHFFFAOYSA-N
rxn:4:221988:223532,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc3OC)nnc12,MIELJFRMYFEVKR-UHFFFAOYSA-N
rxn:4:221995:225205,Cc1cc(C(F)(F)F)c(C2CC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,DLHFJUWQUDRIKY-UHFFFAOYSA-N
rxn:4:222362:223560,COC(=O)c1cc(-c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)nc2ccccc12,TZHJXIDKFKMXEF-UHFFFAOYSA-N
rxn:4:222362:224599,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(=O)C7CCCCC7)ccc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,QLVNCJWTMMFVBT-UHFFFAOYSA-N
rxn:4:222362:225427,CCCCOc1c(C)cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1C,VFGWVZAFCIRGHB-UHFFFAOYSA-N
rxn:4:222363:223942,Cc1cc(CN2CCN(c3c(-c4cc5nnn(Cc6ccccc6)c5cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RHLXKWIXTODISW-UHFFFAOYSA-N
rxn:4:180765:223157,CCNC(=O)c1cc(F)cc(-c2ccc(C=C3Oc4cc(OC)ccc4C3=O)cc2)c1,VBYCDUWKDPSLTL-UHFFFAOYSA-N
rxn:4:199867:222423,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)c(C2OCCO2)c1,IMQNMAHBMMQLKL-UHFFFAOYSA-N
rxn:4:201147:223179,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,SAIRIHYEZPRKHV-UHFFFAOYSA-N
rxn:4:204950:222389,Cc1cc(C)c2oc3c(c(=O)c2c1)C(c1ccc(-c2cc(C4CCNCC4)nc(C4CCNCC4)c2)cc1)N(Cc1cccnc1)C3=O,IUMWVAZUDVVSLE-UHFFFAOYSA-N
rxn:4:212795:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(N(C)C)cc3)n4CCOC)c(F)cc2C)CC1,XTAHTEJUNSUYEK-UHFFFAOYSA-N
rxn:4:213445:224196,CCN1CCN(Cc2cc(F)cc(-c3c(OC)ccc4cc(-c5nc6c(-c7ccc(OC)c(OC)c7)cnn6cc5C)ccc34)c2)CC1,GAETYWPVGFOORJ-UHFFFAOYSA-N
rxn:4:213449:223578,COc1ccccc1C1CC(c2c(C)nc3ccc(-c4cnc(N5CCCCC5)nc4OCc4ccccc4)cc3c2-c2ccccc2)=NN1C(C)=O,DTLBQADZTNPNRW-UHFFFAOYSA-N
rxn:4:213450:224290,Cc1nc2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,HVKQLFHQPPAERW-UHFFFAOYSA-N
rxn:4:213451:224761,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(S(=O)(=O)N6CCCCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,FWNRMRNETXMIKU-UHFFFAOYSA-N
rxn:4:213523:222423,COc1c(-c2ccc(-n3cc(OCC(F)(F)F)cn3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FHSURBAOGFHWQO-UHFFFAOYSA-N
rxn:4:214228:222423,COC(=O)c1nn(S(=O)(=O)c2c(C)cc(C)cc2C)c2ncc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc12,QGEDMKVZQJNPPT-UHFFFAOYSA-N
rxn:4:214359:223841,CC(=O)N1N=C(c2c(C)nc3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3c2-c2ccccc2)CC1c1ccc(F)cc1,NCLPSEOLFFVTOO-UHFFFAOYSA-N
rxn:4:214362:222409,CCn1cc(-c2nc(-c3ccc(-c4ccc(OC)c(S(N)(=O)=O)c4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,UUPDCCJDZMJQSZ-UHFFFAOYSA-N
rxn:4:218785:223951,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc(OCCN4CCN(C)CC4)c(F)c3)cc1-2,KCMYTNHCIOFACL-UHFFFAOYSA-N
rxn:4:219189:223134,COc1ccc(-c2cnccc2C2CCCNC2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,ZRWSYKALXMBLRY-UHFFFAOYSA-N
rxn:4:219562:222628,O=C(c1cncc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,NYNYSKWKPHRVNF-UHFFFAOYSA-N
rxn:4:219778:222996,CCn1cc(-c2nc(-c3ccc(-c4ccc(F)cc4C4CCCNC4)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,WQSHHWJAZDSWAZ-UHFFFAOYSA-N
rxn:4:221570:223001,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)c(=O)n2C)c1,FLEPZXHNVPHOLS-UHFFFAOYSA-N
rxn:4:221747:222439,Cn1c(=O)n(Cc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cc2)c(=O)c2c1nc1n2CCN1c1ccc(F)cc1,XYRDCYQHWUGJEP-UHFFFAOYSA-N
rxn:4:221758:224662,CN1CCN(Cc2ccc(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)CC1,SAJULRKPBLTZFG-UHFFFAOYSA-N
rxn:4:221776:222997,CC1CN(c2ccc(-c3ccc(Cl)cc3C3CCCNC3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,GKEDKRZUOOAAMZ-UHFFFAOYSA-N
rxn:4:221776:224667,CC1CN(c2ccc(-c3ccc(Cl)c(CN4CCN(C)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,LOJAAFQGBPWARG-UHFFFAOYSA-N
rxn:4:221777:223691,CC1CN(c2ccc(-c3cc(OCc4cccnc4)c(C(F)(F)F)cc3Cl)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,GCLLRHAXYGZFQY-UHFFFAOYSA-N
rxn:4:221782:222465,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c(C)c1,LGZBAUUHJSVGDY-UHFFFAOYSA-N
rxn:4:221784:223842,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(C)CC4)cc3)n(C)c2=O)c1,JAJTVZGHCIZVLS-UHFFFAOYSA-N
rxn:4:221784:224311,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(-n5ccnc5)cc(-n5ccnc5)c4)cc3)n(C)c2=O)c1,KKWDAJOKLYWPPV-UHFFFAOYSA-N
rxn:4:221785:226129,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cccc(CN5CCCC5)c4)cc3)n(C)c2=O)c1,YYIDETTYSXZRAL-UHFFFAOYSA-N
rxn:4:221787:222523,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(S(=O)(=O)NC(C)(C)C)cc4C(F)(F)F)cc3)c(=O)n2C)c1,QCEOSQIMSNWGHU-UHFFFAOYSA-N
rxn:4:221788:222850,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4C#N)cc3)c(=O)n2C)cc1,FRMBTUCNCNDINY-UHFFFAOYSA-N
rxn:4:221928:222892,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(N5CCNCC5)cc4OC)ccc3OC)nnc12,IQFMCGXRUSYNFX-UHFFFAOYSA-N
rxn:4:221986:223509,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc2)CC1,JOUMRNLYNFEOKF-UHFFFAOYSA-N
rxn:4:222126:223488,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc4cc(Oc5ccccc5)ccc4n3C(=O)OC(C)(C)C)cc2)CC1,FNAIFHBKMSYDLV-UHFFFAOYSA-N
rxn:4:222137:224206,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)ccc2OCc2ccc(F)cc2)cc1,POYIWLYBPZHZGK-UHFFFAOYSA-N
rxn:4:222144:224290,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1,YHYVQCDBEUQYDV-UHFFFAOYSA-N
rxn:4:222197:222423,CCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)ccc3OC)nnc12,ADYGAWNUSGHHEQ-UHFFFAOYSA-N
rxn:4:222271:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(-c2noc(Cn3cnc4c(nnn4Cc4ccccc4C)c3=O)n2)ccc1F,DPXLJJWVORZQHL-UHFFFAOYSA-N
rxn:4:222362:222504,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(F)c(C(=O)NCc7ccc(F)cc7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,UHROQMOOBQSCAX-UHFFFAOYSA-N
rxn:4:222362:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2OC)CC1,NLLKGAKORRJVQM-UHFFFAOYSA-N
rxn:4:222362:223698,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OC(F)(F)F)c(S(=O)(=O)N7CCCC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,CZPCLMXNIXGANQ-UHFFFAOYSA-N
rxn:4:222362:225936,CC(C)c1ncc(C(F)(F)F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,UBUOCSDFNNRUOJ-UHFFFAOYSA-N
rxn:4:222363:222717,Cc1cc(CN2CCN(c3c(-c4cc(C)c(F)cc4S(=O)(=O)NC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ODDBTCXQWMVOTC-UHFFFAOYSA-N
rxn:4:222363:225010,Cc1cc(CN2CCN(c3c(-c4ccc(F)c(CN5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BFKGVTVOZZFGHF-UHFFFAOYSA-N
rxn:4:180765:222741,COc1ccc2c(c1)OC(=Cc1ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc1)C2=O,DCRYVFYQBLFKLF-UHFFFAOYSA-N
rxn:4:185301:222423,COc1c(-c2ccc(C)c(OCCCN3CCC(C)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RJERWFPQWXZRMY-UHFFFAOYSA-N
rxn:4:185628:222389,Cc1cc2oc(C(=O)N(Cc3cccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)c3)C3CCS(=O)(=O)C3)c(C)c2cc1C,YZMOQBDZKNPILM-UHFFFAOYSA-N
rxn:4:199863:222423,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,LGPIDJZRNLOWID-UHFFFAOYSA-N
rxn:4:200021:223179,CCCCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,MMRQCOKSXPUDBH-UHFFFAOYSA-N
rxn:4:201187:223528,CCCOc1cccc(C2c3c(oc4ccc(-c5ccc(F)c(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,OLKQBYPLSVJHRS-UHFFFAOYSA-N
rxn:4:201187:223574,CCCOc1cccc(C2c3c(oc4ccc(-c5cccc(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,DDROYIJILOTVRP-UHFFFAOYSA-N
rxn:4:204956:222466,Cc1cc(N2C(=O)c3oc4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)no1,PEECLPVRDIKBIE-UHFFFAOYSA-N
rxn:4:207957:222389,Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)c1,CYAWQGLHZHXZKW-UHFFFAOYSA-N
rxn:4:212751:222996,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(F)cc3C3CCCNC3)c2)CCN1C(=O)OC(C)(C)C,ZINOLRMRHDOROQ-UHFFFAOYSA-N
rxn:4:212780:223570,COC(=O)Cn1c(=NC(=O)c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)sc2cc(S(N)(=O)=O)ccc21,CMTKJNQLJTXGCW-UHFFFAOYSA-N
rxn:4:212820:223570,COCCn1c(=NC(=O)c2cc(-c3cccs3)nc3ccccc23)sc2cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)ccc21,ICDWZLJDERBVEX-UHFFFAOYSA-N
rxn:4:213093:222423,COc1c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C#N)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YIPQUNLLKAOYOW-UHFFFAOYSA-N
rxn:4:213451:223657,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cn(S(=O)(=O)c6ccc(C)cc6)c6ccncc56)cc43)C(=O)N2c2ccc(CC)cc2)cc1,FDRHZYRWKRDROS-UHFFFAOYSA-N
rxn:4:213475:222494,COc1cc(-c2ccc(NC(=O)OCc3ccccc3)cc2F)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,MFBVMHGGTHYRJN-IQRUICDZSA-N
rxn:4:213475:224061,CCCC1CCC(c2ccc(-c3ccc([C@@H]4c5ccc6c(cnn6C6CCCCCO6)c5C[C@@H](C)N4CC(F)(F)F)c(OC)c3)c(F)c2)CC1,VBIHIYVYMZDKMZ-IYVOVNEQSA-N
rxn:4:214380:222423,COc1c(-c2cccc(Cn3c4ccc(C)cc4c4ncn(Cc5ccccc5Cl)c(=O)c43)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BSDGYMBQWKFFFZ-UHFFFAOYSA-N
rxn:4:214388:222730,CCCc1cc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)cc(C2CCNCC2)n1,CHMSVDRBGZZOCF-UHFFFAOYSA-N
rxn:4:214388:224406,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(F)c(S(=O)(=O)N5CCOCC5)c4)c(OC)cc12)CC3,RFFCMOJUGXPHQH-UHFFFAOYSA-N
rxn:4:214388:225737,CCCCOc1c(F)ccc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c1F,ANHQQRKEHOSETD-UHFFFAOYSA-N
rxn:4:218785:222518,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc(F)c4sc(NC(=O)OC(C)(C)C)nc34)cc1-2,YCBNALSMOGWEDB-UHFFFAOYSA-N
rxn:4:219962:222423,COc1c(-c2ccc(-n3nnc(C(=O)N4CCSCC4)c3C)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BXCRBJWDRVJRDK-UHFFFAOYSA-N
rxn:4:221575:224687,CC1CN(c2ccc(-c3cc(F)cc(CN4CCC(=O)CC4)c3)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,QKOMOJBEDZUWBW-UHFFFAOYSA-N
rxn:4:221755:222851,CCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCN5c4ccc(C)cc4)n(C)c3=O)cc2)cc(C2CCNCC2)n1,XPMXPSCXYOENIP-UHFFFAOYSA-N
rxn:4:221758:224668,CCN1CCN(c2cc(F)cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5ccccc5Cl)c(=O)n4C)cc3)c2)CC1,DSRAIIYVJUABCP-UHFFFAOYSA-N
rxn:4:221770:222891,COc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4cccc(C)c4)n(C)c3=O)cc2)cc(C2CCNCC2)n1,MEPVFQUOEPZAHR-UHFFFAOYSA-N
rxn:4:221772:224687,CC1CN(c2ccc(-c3cc(F)cc(CN4CCC(=O)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1,FRSAFMARVYFQFV-UHFFFAOYSA-N
rxn:4:221773:224398,Cc1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)n(C)c2=O)cc1,TUHBFBHFAVXLPV-UHFFFAOYSA-N
rxn:4:221775:224665,Cc1cccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccc(F)cc4CN4CCN(C)CC4)cc3)n(C)c2=O)c1,YMXBAOJJGVMBHR-UHFFFAOYSA-N
rxn:4:221776:222980,CC1CN(c2ccc(-c3ccc(CN4CCNCC4)cc3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,GTIRKVHHEWRTPY-UHFFFAOYSA-N
rxn:4:221776:224662,CC1CN(c2ccc(-c3cc(F)ccc3CN3CCN(C)CC3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,UMZFTCPXZTUKMQ-UHFFFAOYSA-N
rxn:4:221782:223699,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C(F)(F)F)cc3)c(=O)n2C)c(C)c1,CRGKIWIDXWXYKK-UHFFFAOYSA-N
rxn:4:221788:222719,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)nc(C(F)(F)F)c4)cc3)c(=O)n2C)cc1,PORZRTSIOVMMEI-UHFFFAOYSA-N
rxn:4:221789:225174,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(F)cc4CN4CCOCC4)cc3)n(C)c2=O)cc1,ZPMQFOFAKPCHFA-UHFFFAOYSA-N
rxn:4:221928:223482,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)ccc3OC)nnc12,VKFHFNOZLLCXNB-UHFFFAOYSA-N
rxn:4:221929:223738,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc6cc(O[Si](C)(C)C(C)(C)C)ccc6c5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,MJMKFONBLOAYBU-UHFFFAOYSA-N
rxn:4:221929:224202,Cc1cc(Cl)c(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)cc1OCc1cccnc1,ZAHKCHQUUFXNOU-UHFFFAOYSA-N
rxn:4:222201:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4nnc5n(Cc6ccc(F)cc6)c6c(=O)n(C)c(=O)n(C)c6n45)cc3)c(F)cc2C)CC1,JCRKGULGGZSUJI-UHFFFAOYSA-N
rxn:4:222205:222537,Cc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCCC6)nc(C6CCCNC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,YJSJYRMXZVVFNL-UHFFFAOYSA-N
rxn:4:222362:222556,COc1ccccc1NC(=O)c1cccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,ILFQSFZMOLUIJI-UHFFFAOYSA-N
rxn:4:222387:223578,Cn1cc(-c2cnc3nnn(CC4CN(c5ncc(-c6cnc(N7CCCCC7)nc6OCc6ccccc6)cn5)CCO4)c3n2)cn1,NPBRLRNMVQHETJ-UHFFFAOYSA-N
rxn:4:190697:227669,CCCCN1C(=O)C(=O)c2cc(-c3cc(C)c(F)c(OC)c3F)ccc21,MMWGEWWKUAVSKL-UHFFFAOYSA-N
rxn:4:207887:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2F)N(c2nccs2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BKPYUEZHBBXIPH-UHFFFAOYSA-N
rxn:4:212820:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc4c(c3)sc(=NC(=O)c3cc(-c5cccs5)nc5ccccc35)n4CCOC)c2)CC1,NLZISDIQRHJFBM-UHFFFAOYSA-N
rxn:4:212845:222423,COc1c(-c2cccc(CSc3nc4sc5c(c4c(=O)n3Cc3ccco3)CCN(C(C)=O)C5)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BAHUYIOUDZEIEC-UHFFFAOYSA-N
rxn:4:212846:222705,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(C6CCNCC6)cc(C(F)(F)F)c5)cc4)n(Cc4ccco4)c(=O)c23)C1,SXNGPWJTYHRNEQ-UHFFFAOYSA-N
rxn:4:212846:223503,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5c(F)cc(OC6CCN(C(=O)OC(C)(C)C)CC6)cc5F)cc4)n(Cc4ccco4)c(=O)c23)C1,WSHSZTALCXFWAM-UHFFFAOYSA-N
rxn:4:213015:222423,COc1c(-c2ccc(-c3cnc(SCC(=O)N4CCCC4)n3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YELZNAGGQLNYEP-UHFFFAOYSA-N
rxn:4:213451:223154,CCNC(=O)c1cc(-c2ccc3c(c2)C(=C2SC(=Nc4ccc(CC)cc4)N(c4ccc(CC)cc4)C2=O)C(=O)N3CC)ccc1F,MOWKGUDIBPHZQV-UHFFFAOYSA-N
rxn:4:213475:223655,COc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncccc23)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,OJNDDSPQWPNWGG-BDDSTAFWSA-N
rxn:4:214361:222433,CO[C@H]1CC[C@H](n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4C)ccc32)CC1,QWEORZAJZJMUBY-VKVOJFMMSA-N
rxn:4:214388:222584,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c(OC)cc12)CC3,ZGYPFFMYMJNCAY-UHFFFAOYSA-N
rxn:4:214388:226438,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cnc(C5CCCC5)cc4F)c(OC)cc12)CC3,ZRDWKPHINFLVFU-UHFFFAOYSA-N
rxn:4:215282:223570,CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)s1,CTHXAGCFRKEKBO-UHFFFAOYSA-N
rxn:4:218787:223841,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)c1,NDHFIZQDRGTQAU-UHFFFAOYSA-N
rxn:4:219036:222423,COc1c(-c2cccnc2OC2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DZCBUWAJKVNVMQ-UHFFFAOYSA-N
rxn:4:219189:223266,CNC(=O)c1ccc(F)cc1-c1ccc(OC)c(-c2nc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)c(C)o2)c1,DRONCMICFJTPMG-UHFFFAOYSA-N
rxn:4:221169:222423,COc1c(-c2cnc(OCC3CCCN(S(=O)(=O)c4cnn(C)c4)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VKHXRAPURDZAQW-UHFFFAOYSA-N
rxn:4:221263:223827,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(C(F)(F)F)ccc3N3CCN(CC)CC3)cc2)n(C)c1=O,UHAMGKLQDKQBCF-UHFFFAOYSA-N
rxn:4:221524:222423,COc1c(-c2ccc3c(ccn3CC(=O)N3CCC(c4nnc5ccccn45)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IWFMTZUJQSNOJX-UHFFFAOYSA-N
rxn:4:221570:222622,CCC(C)c1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4cccc(OC)c4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,NZWMEAWSAIUNOG-UHFFFAOYSA-N
rxn:4:221776:224665,CC1CN(c2ccc(-c3ccc(F)cc3CN3CCN(C)CC3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,MCMFURUHSFHRLT-UHFFFAOYSA-N
rxn:4:221776:224782,CC1CN(c2ccc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,JNBLMVGTTIWQNG-UHFFFAOYSA-N
rxn:4:221778:222956,Cc1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)cc2)c(C2CCCNC2)c1,ZXJNEUSAKQSQTJ-UHFFFAOYSA-N
rxn:4:221781:223058,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c1C,FUZJDBAFORFQKK-UHFFFAOYSA-N
rxn:4:221781:223137,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cncc(C5CCCNC5)c4)cc3)c(=O)n2C)c1C,SNLHXAIQBKJDGW-UHFFFAOYSA-N
rxn:4:221782:223843,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)c(C(F)(F)F)c1,ZWNJRFPYWDOIEA-UHFFFAOYSA-N
rxn:4:221785:222998,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(F)cc(C5CCCNC5)c4)cc3)n(C)c2=O)c1,ICKILBCIZSMQBI-UHFFFAOYSA-N
rxn:4:221786:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(C)c(C)c3)n(C)c2=O)cc1,KPMFBZDUOWLJGE-UHFFFAOYSA-N
rxn:4:221793:222438,CC1CN(c2ccc(-c3cc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)ccc3Cl)cc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1,CUZYIXSYHHOWBY-UHFFFAOYSA-N
rxn:4:221993:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN(C)C)c(C)c(C)n34)n(C)c2=O)cc1,QVUQSOCHZUYMMI-UHFFFAOYSA-N
rxn:4:222130:223491,CCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)cc(C(F)(F)F)c4)ccc3OC)nnc12,BBQVOJQBQHDZNW-UHFFFAOYSA-N
rxn:4:222134:222628,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCC6)nc(C6CCCNC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,WTEHSLJZALUCSJ-UHFFFAOYSA-N
rxn:4:222137:224223,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccccc2OCc2ccc(F)cc2Cl)cc1,XQHKYJARPZVHSS-UHFFFAOYSA-N
rxn:4:222205:224155,Cc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CC6)cc(N6CCN(C)CC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,KTPIVRXGHMNJBE-UHFFFAOYSA-N
rxn:4:222206:223841,Cc1cc(F)c(-c2ccc(CN3N=C(c4ccc(F)cc4)Cn4c3nc3c4c(=O)n(C)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,UNAWFBVZTYSFOT-UHFFFAOYSA-N
rxn:4:222362:223602,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccnc(N7CCN(C(=O)OC(C)(C)C)CC7)c6Cl)cc6[nH]ncc56)nn4)cn3c2)CC1,XLKXBLSITCFEGK-UHFFFAOYSA-N
rxn:4:222363:222730,CCCc1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc(C2CCNCC2)n1,UHODHQGLEBYRPZ-UHFFFAOYSA-N
rxn:4:222363:223606,Cc1cc(CN2CCN(c3c(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OTIBTEAXNCHUMH-UHFFFAOYSA-N
rxn:4:222363:227459,Cc1cc(CN2CCN(c3c(-c4cc5c(cnn5C)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PSWRTFGIWGANPI-UHFFFAOYSA-N
rxn:4:222363:229141,Cc1cc(CN2CCN(c3c(-c4ccc(F)cc4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZTWSXWKPCTYMCC-UHFFFAOYSA-N
rxn:4:199824:222389,CC(Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)n1,GLAJSNNKZHLHPP-UHFFFAOYSA-N
rxn:4:201146:223154,CCCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NCC)c3)ccc21,CHUPHIBDQWEBPV-UHFFFAOYSA-N
rxn:4:202754:222423,COc1c(-c2ccc3c(c2)CCCN3C2CCN(C(=O)OC(C)(C)C)CC2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BYCVPFWNGRRKHH-UHFFFAOYSA-N
rxn:4:202761:223570,COc1ccc(C2C3C(=O)N(c4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)C(=O)C3ON2c2ccccc2C)cc1,RVKXLXKUUDKWST-UHFFFAOYSA-N
rxn:4:213448:223828,CCN1CCN(c2cc(-c3ccc4nc(C)c(C5=NN(C(C)=O)C(c6ccc(OC)cc6)C5)c(-c5ccccc5)c4c3)cc(C(F)(F)F)c2)CC1,GLYRZBLQDKQIKL-UHFFFAOYSA-N
rxn:4:213450:224311,Cc1nc2ccc(-c3cc(-n4ccnc4)cc(-n4ccnc4)c3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,PUYYFYXZLIRGGG-UHFFFAOYSA-N
rxn:4:213451:222983,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(CN6CCC(O)C6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,BIZNFXWYZSZYAI-UHFFFAOYSA-N
rxn:4:213451:224949,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OC)c(CN6CCCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,JNZFVCKRIJBOGZ-UHFFFAOYSA-N
rxn:4:213467:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccc(Cn4c5ccc(F)cc5c5ncn(Cc6cccc(OC)c6)c(=O)c54)c3)c2)CC1,BFMYPVSECRAHOG-UHFFFAOYSA-N
rxn:4:213475:222491,COc1cc(-c2cc(NC(=O)OCc3ccccc3)ccc2F)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,JFLJMQXKTIBOGQ-IQRUICDZSA-N
rxn:4:213480:222461,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4c(F)cc(F)c5sc(NC(=O)OC(C)(C)C)nc45)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,QUFYSQOFNHGJRH-JYUCMUJCSA-N
rxn:4:214141:222423,COc1cc(S(=O)(=O)n2nnc3ccccc32)c(OC)cc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,CSVLJMSNXIQSLF-UHFFFAOYSA-N
rxn:4:214330:222423,COc1c(-c2ccc(-c3noc(CN4C(=O)COc5ccc(C(C)(C)C)cc54)n3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,UQKTUXIRLDHRMN-UHFFFAOYSA-N
rxn:4:214359:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(C)c(C5=NN(C(C)=O)C(c6ccc(F)cc6)C5)c(-c5ccccc5)c4c3)c(F)cc2C)CC1,GXYTVWPCKWQJGF-UHFFFAOYSA-N
rxn:4:214388:223482,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)c(OC)cc12)CC3,UAEBGMDQVPKOQS-UHFFFAOYSA-N
rxn:4:215227:222423,COc1c(-c2ccc(N3C(=O)C4ON(c5ccccc5)C(c5ccccn5)C4C3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,AKLRLOGGODVLPV-UHFFFAOYSA-N
rxn:4:218899:222423,COc1c(-c2cnc(OC3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SGZJKTUDAUSULN-UHFFFAOYSA-N
rxn:4:218951:222423,COc1cnc(OC2CCN(c3ncc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3C(F)(F)F)CC2)nc1,FLJSXUKCLXQAEP-UHFFFAOYSA-N
rxn:4:219189:223994,COc1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,HYUVNKRECBHYKU-UHFFFAOYSA-N
rxn:4:221273:224290,Cn1c(=O)n(Cc2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,POPZPDCTMSXPNN-UHFFFAOYSA-N
rxn:4:221274:222846,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCCNC3)ccc2C#N)cc1,HWLZWPRXLYQWFJ-UHFFFAOYSA-N
rxn:4:221574:225364,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N(C)C)c(C)cc4F)cc3)c(=O)n2C)cc1,NXLBQAFKOXFPTN-UHFFFAOYSA-N
rxn:4:221757:222741,Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CC3)nc(C3CCCNC3)c2)cc1,QQBKPDGSXIMHMI-UHFFFAOYSA-N
rxn:4:221770:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3cccc(C)c3)n(C)c2=O)cc1,XAGAJRMELMHXFT-UHFFFAOYSA-N
rxn:4:221774:223105,CNS(=O)(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4C)c(=O)n3C)cc2)c(F)cc1C,QYLUZMKDCSZMLH-UHFFFAOYSA-N
rxn:4:221775:222956,Cc1cccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccc(C)cc4C4CCCNC4)cc3)n(C)c2=O)c1,HVJGKPHTZRXLBG-UHFFFAOYSA-N
rxn:4:221793:223136,CC1CN(c2ccc(-c3ccncc3C3CCCNC3)cc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1,MFBXNVYPGBDIKS-UHFFFAOYSA-N
rxn:4:221929:224815,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(-n6ccnc6)cc5C(F)(F)F)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,XXXIJWDYZPYPOS-UHFFFAOYSA-N
rxn:4:221995:225813,Cc1c(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)cc(F)c(OC(C)C)c1F,CUKOMEAFLYAWOU-UHFFFAOYSA-N
rxn:4:222143:222462,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2c(F)cc3nc(NC(=O)OC(C)(C)C)sc3c2F)cc1,ZGUBPAZJSGAAGO-UHFFFAOYSA-N
rxn:4:222250:223815,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(Cl)c(CN6CCC7(CC6)OCCO7)c5)cc4)c(=O)n(C)c3nc2n1CCCn1ccnc1,FPSGFVQQLOKUKL-UHFFFAOYSA-N
rxn:4:222339:223541,Cc1nc(N2CCN(C)CC2)cc(N2CCN(c3cncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC5(CC4)OCCO5)c3)CC2)n1,UTGQEJOUENGXIP-UHFFFAOYSA-N
rxn:4:222362:224326,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc1S(=O)(=O)N1CCCCC1,AOCNGAVNJYEHEI-UHFFFAOYSA-N
rxn:4:222363:224150,Cc1cc(CN2CCN(c3c(-c4cc(F)c(C)c(OCc5ccccc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NDXJYGMWZNNZSN-UHFFFAOYSA-N
rxn:4:222363:224244,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(C(=O)N5CCC(C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YAHIXYZFVHGCRP-UHFFFAOYSA-N
rxn:4:222363:225246,Cc1cc(CN2CCN(c3c(-c4cnc(Cl)c(-c5cccc(F)c5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,INGMMULUJDVJGH-UHFFFAOYSA-N
rxn:4:222363:226689,Cc1cc(CN2CCN(c3c(-c4ccc(-c5cncs5)nc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LKKOZKZSZKUPPF-UHFFFAOYSA-N
rxn:4:222363:228425,COc1c(Cl)cc(F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,NJOLFUCQNKKGPY-UHFFFAOYSA-N
rxn:4:185248:222423,COc1cc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc(OC)c1CN1CCCC(C(F)(F)F)C1,UHSSJEIKYDISHP-UHFFFAOYSA-N
rxn:4:185533:222423,COc1c(-c2ccc(S(=O)(=O)N(C(=O)c3ccccc3Cl)c3ccc4oc(=O)sc4c3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,PENQBVYOMBLVNQ-UHFFFAOYSA-N
rxn:4:200034:222462,COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3cc(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)ccc23)cc1,QECBNXMJYNORAS-UHFFFAOYSA-N
rxn:4:201186:223694,CCCOc1ccc(C2c3c(oc4ccc(-c5cc(S(=O)(=O)N6CCN(CC)CC6)c(C)cc5F)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,WVIGEGOGTMRFDL-UHFFFAOYSA-N
rxn:4:202795:223570,COc1cccc(C2c3c(oc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4c3=O)C(=O)N2c2cc(C)on2)c1OC,FUCFZLMZVQNLBN-UHFFFAOYSA-N
rxn:4:212748:225116,CCCCOc1c(F)c(C)cc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c1F,SHKUDZFWWJVTPC-UHFFFAOYSA-N
rxn:4:213445:223503,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6c(F)cc(OC7CCN(C(=O)OC(C)(C)C)CC7)cc6F)c(OC)ccc5c4)nc23)cc1OC,LSOHRZDXTCGWBO-UHFFFAOYSA-N
rxn:4:213448:224398,COc1ccc(C2CC(c3c(C)nc4ccc(-c5cc(S(=O)(=O)N6CCCC6)c(C)cc5F)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,WWQSXYNGCJJIRW-UHFFFAOYSA-N
rxn:4:213451:223488,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc6cc(Oc7ccccc7)ccc6n5C(=O)OC(C)(C)C)cc43)C(=O)N2c2ccc(CC)cc2)cc1,MFGMBTFDVGMGPA-UHFFFAOYSA-N
rxn:4:213475:222430,COc1cc(-c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,IEGZMWPOOZCVOO-NZQBQMMGSA-N
rxn:4:213475:222462,COc1cc(-c2c(F)cc3nc(NC(=O)OC(C)(C)C)sc3c2F)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,LBSUANASUOSFLK-VUPTZHIOSA-N
rxn:4:213475:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc([C@@H]4c5ccc6c(cnn6C6CCCCCO6)c5C[C@@H](C)N4CC(F)(F)F)c(OC)c3)ccc2OC)CC1,OEJHUVSIJVUBOZ-BDDSTAFWSA-N
rxn:4:214359:223992,CC(=O)N1N=C(c2c(C)nc3ccc(-c4ccc(C)c(S(=O)(=O)N5CCN(C)CC5)c4)cc3c2-c2ccccc2)CC1c1ccc(F)cc1,MOSWFOILGQFESG-UHFFFAOYSA-N
rxn:4:218747:222466,CCCCc1nc(SCc2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc2)c2c(=O)n(C)c(=O)n(C)c2n1,BLXMEPPWBOPQKE-UHFFFAOYSA-N
rxn:4:221277:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(Oc4ccccc4)cc3)n(C)c2=O)cc1,BVNRUVZVSWGJTQ-UHFFFAOYSA-N
rxn:4:221277:223141,Cn1c(=O)n(Cc2ccc(-c3cncc(C4CCNCC4)c3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,ILDYZONGIFGDJQ-UHFFFAOYSA-N
rxn:4:221497:222423,COc1c(-c2cnc(OC3CCN(C(=O)c4cnc5ccccc5n4)CC3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JEASGFWFXCHLQQ-UHFFFAOYSA-N
rxn:4:221757:222948,Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cnc(N3CCC(O)CC3)nc2Cl)cc1,RCFHXVZKJFEOCR-UHFFFAOYSA-N
rxn:4:221773:223105,CNS(=O)(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)cc2)c(F)cc1C,HUJIZPZTHPTSHH-UHFFFAOYSA-N
rxn:4:221782:225295,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccccc4S(=O)(=O)N4CCCC4)cc3)c(=O)n2C)c(C)c1,PDXWKOQRFKVRFD-UHFFFAOYSA-N
rxn:4:221782:227308,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(Cl)ccc4CN(C)C)cc3)c(=O)n2C)c(C)c1,QNRIYJGSJZPRKY-UHFFFAOYSA-N
rxn:4:221784:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3cc(C)ccc3C)c(=O)n2C)cc1,LLEWXTANSPBGFE-UHFFFAOYSA-N
rxn:4:221784:224665,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccc(F)cc4CN4CCN(C)CC4)cc3)n(C)c2=O)c1,RNCRVIQUGVIDAN-UHFFFAOYSA-N
rxn:4:221784:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4cc(C)ccc4C)c(=O)n3C)cc2)c1,NABPAGPQTGIJOZ-UHFFFAOYSA-N
rxn:4:221788:222721,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)nc(C(F)(F)F)c4)cc3)c(=O)n2C)cc1,QAAXWEFDMNBHOE-UHFFFAOYSA-N
rxn:4:222134:222729,CCCc1cc(-c2ccc(Cn3c4c(=O)n(C)c(=O)n(C)c4n4c(-c5ccc(OC)cc5)nnc34)cc2)cc(C2CCCNC2)n1,WDLCYCXJCQPOHE-UHFFFAOYSA-N
rxn:4:222135:222524,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,FEDKMJWKQUFEOO-UHFFFAOYSA-N
rxn:4:222137:224235,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2OCc2ccccc2)cc1,ZJFNWIDNGYUZAE-UHFFFAOYSA-N
rxn:4:222195:222621,CC(C)Cc1cc(-c2cccc(Cn3c(N4CCN(C)CC4)nc4c3c(=O)n(C)c(=O)n4C)c2)cc(C2CCCNC2)n1,XTOBYRYFLOQSQE-UHFFFAOYSA-N
rxn:4:222250:223844,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(S(=O)(=O)N6CCCC6)cc5C(F)(F)F)cc4)c(=O)n(C)c3nc2n1CCCn1ccnc1,KSBJYFBAEHIPAS-UHFFFAOYSA-N
rxn:4:222301:222423,COc1c(-c2cnc(OCC3CCCN(c4ccc5nnc(C)n5n4)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VELMTRBFBCCJLC-UHFFFAOYSA-N
rxn:4:222362:222398,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc1NC(=O)NC1CC1,DVCKXWGHLFLDEP-UHFFFAOYSA-N
rxn:4:222362:223790,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cncc(C7CCCN7C(=O)OC(C)(C)C)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,VMFDKPURILIYJE-UHFFFAOYSA-N
rxn:4:222362:225047,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cnc1N1CCC(C)CC1,FFGYYOKDQOHYAT-UHFFFAOYSA-N
rxn:4:222362:228228,COc1ncc(C)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1C,GVOOJJMPWMXWRM-UHFFFAOYSA-N
rxn:4:222363:222828,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)cc4S(=O)(=O)NC4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LYWSDJQCLTUTBV-UHFFFAOYSA-N
rxn:4:222363:223912,COc1ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c(OCc2ccccc2)c1Cl,CYGRXBAURSLPHO-UHFFFAOYSA-N
rxn:4:222363:224309,Cc1cc(CN2CCN(c3c(-c4c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LPMVDXCXOKUMFM-UHFFFAOYSA-N
rxn:4:188916:222423,COc1c(-c2cc(F)c(F)c(C(=O)N(C)OC)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JTVLPHDLBVJDBT-UHFFFAOYSA-N
rxn:4:200824:222423,COc1c(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GPIAUTLAAVUQOC-UHFFFAOYSA-N
rxn:4:201043:222389,CCn1c(=NC(=O)c2cc(OC)cc(OC)c2)sc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,HJVFNWUMAFSXAA-UHFFFAOYSA-N
rxn:4:201168:223521,COc1cc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc2c1Oc1nc(-c3ccccc3)nc(SCc3ccccc3)c1C2,HKGFXBYZVJDPHL-UHFFFAOYSA-N
rxn:4:201189:222623,CCC(C)c1cc(-c2ccc(C3c4c(oc5cc(OC)ccc5c4=O)C(=O)N3CCN3CCOCC3)cc2)cc(C2CCNCC2)n1,LJOBOGWSMKTDQY-UHFFFAOYSA-N
rxn:4:202351:222423,COc1c(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(F)c(C)c3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KELDLTXWBNYXRM-UHFFFAOYSA-N
rxn:4:202781:223570,Cc1c(CN(C)C)c2c(n1Cc1ccccc1)C(=O)c1ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc1-2,RNBUJQIVHVWAFT-UHFFFAOYSA-N
rxn:4:213448:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc2nc(C)c(C3=NN(C(C)=O)C(c4ccc(OC)cc4)C3)c(-c3ccccc3)c2c1,OCWMIPPKBNGDRI-UHFFFAOYSA-N
rxn:4:213457:222423,COc1c(-c2cccc(CSc3nc4c(sc5ncccc54)c(=O)n3Cc3ccc(F)cc3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OAYFAULEQZHXII-UHFFFAOYSA-N
rxn:4:213481:222524,COC12CC(COC(=O)c3cncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,PWRHDCBVBFWBLN-UHFFFAOYSA-N
rxn:4:214362:223539,CCn1cc(-c2nc(-c3ccc(-c4ccc(OC)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,XEQNTLSGDYHGGF-UHFFFAOYSA-N
rxn:4:214388:223760,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(OC)c(OCc5ccccc5)cc4OC)c(OC)cc12)CC3,FMYUHTIMNUTFSQ-UHFFFAOYSA-N
rxn:4:214388:227041,CCOc1cc(C)c(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)cc1C,HLSNRMTXMXEZDK-UHFFFAOYSA-N
rxn:4:219002:222423,COc1c(-c2cnc(OCC3CCCN(C(=O)c4cccn(C)c4=O)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IHSOSVVAYWYNBZ-UHFFFAOYSA-N
rxn:4:219036:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccnc3OC3CCN(C(=O)c4sc(-n5cccc5)nc4C)CC3)c(F)cc2C)CC1,OEFWIKHEGZALGG-UHFFFAOYSA-N
rxn:4:219189:224317,COc1ccc(-c2ccc(C(=O)N3CCN(C)CC3)cc2F)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,NJRPIIRDSOSRRW-UHFFFAOYSA-N
rxn:4:219642:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3OC3CCN(c4nc5c(cc4C#N)CCC5)C3)c(F)cc2C)CC1,GVQYTPZISDOICJ-UHFFFAOYSA-N
rxn:4:221531:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(-c2noc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)n2)ccc1F,MEQYYGKJOJBYQP-UHFFFAOYSA-N
rxn:4:221538:222509,Cc1ccc(Cl)cc1NC(=O)c1cc(F)cc(-c2ccc(Cn3c(CN4CCCCC4C)nc4c3c(=O)n(C)c(=O)n4C)cc2)c1,UEKRERQNDRMFBZ-UHFFFAOYSA-N
rxn:4:221757:224398,Cc1cc(F)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCCC1,QRWFAXBUOXWVGF-UHFFFAOYSA-N
rxn:4:221758:224667,CN1CCN(Cc2cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5ccccc5Cl)c(=O)n4C)cc3)ccc2Cl)CC1,BBRHPQZARLMMAQ-UHFFFAOYSA-N
rxn:4:221772:224782,CC1CN(c2ccc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1,KVJHUCALZOZZRT-UHFFFAOYSA-N
rxn:4:221776:226237,CC1CN(c2ccc(-c3ccccc3OCCN(C)C)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,UFPLQARGSZKEHP-UHFFFAOYSA-N
rxn:4:221784:222822,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(S(=O)(=O)NC5CC5)c(C)cc4F)cc3)n(C)c2=O)c1,NWFJIIGOGMMSGL-UHFFFAOYSA-N
rxn:4:221790:225591,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(CN4CCCC4)ccc3F)cc2)n(C)c1=O,FKTSBMBQLASCLW-UHFFFAOYSA-N
rxn:4:221793:223058,CC1CN(c2ccc(-c3cc(F)nc(C4CCCNC4)c3)cc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1,JMCVYVISUSVMAK-UHFFFAOYSA-N
rxn:4:221994:223641,CCc1cc2c(cc1F)cc(-c1ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)cn45)n(C)c3=O)cc1)n2C(=O)OC(C)(C)C,PNFUFPGOLVQDIV-UHFFFAOYSA-N
rxn:4:221995:224357,COc1nc2ccc(C(F)(F)F)cc2cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,PDJSCKFXDQEUHA-UHFFFAOYSA-N
rxn:4:222137:224543,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccccc2OCc2ccc(F)cc2)cc1,APTYGQRKFJLXQQ-UHFFFAOYSA-N
rxn:4:222142:224235,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2OCc2ccccc2)cc1,UYCJIZSYGOLOJV-UHFFFAOYSA-N
rxn:4:222250:222824,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n(CCCn6ccnc6)c(C)cn45)n(C)c3=O)cc2)cc1S(=O)(=O)NC(C)C,PWVLOWZBUHJARC-UHFFFAOYSA-N
rxn:4:222305:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5ccc(Cl)cc5)CC4)o3)c(F)cc2C)CC1,QPWDXMVQUQBRLN-UHFFFAOYSA-N
rxn:4:222352:222538,CSc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6cc(C7CCCC7)nc(C7CCNCC7)c6)cc5)c(C)nn43)c2=O)[nH]1,XFUXDBKOXOFKIA-UHFFFAOYSA-N
rxn:4:222353:224195,CCc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6ccc(Cl)c(CN7CCN(CC)CC7)c6)cc5)c(C)nn43)c2=O)[nH]1,BMUGJCNNHVGRNL-UHFFFAOYSA-N
rxn:4:222362:222614,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(S(=O)(=O)NC7CC7)cc6C(F)(F)F)cc6[nH]ncc56)nn4)cn3c2)CC1,PZCIYOQEMZKCFS-UHFFFAOYSA-N
rxn:4:222362:224049,CCc1cc(OCc2ccccc2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,UPCSKCSGPRIWIC-UHFFFAOYSA-N
rxn:4:222362:228395,COc1cc(F)c(F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,SKHLKAZXYZGBRA-UHFFFAOYSA-N
rxn:4:184463:222423,COC(=O)Cc1cc(C#N)c(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1C(F)(F)F,AVLJFJNHYITXIV-UHFFFAOYSA-N
rxn:4:185599:222423,COc1c(-c2cccc(CN(C(=O)c3oc4ccc(F)cc4c3C)C3CCS(=O)(=O)C3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KXJZOWRPJTWDLC-UHFFFAOYSA-N
rxn:4:185611:226038,COc1cc(C(F)(F)F)c(F)cc1-c1ccc(-c2c(C)oc3cc(OCCN4CCOCC4)ccc3c2=O)cc1,ITXDUIHYKPVZME-UHFFFAOYSA-N
rxn:4:187939:222423,COc1c(-c2ccc(N(C(=O)c3cc4ccccc4oc3=O)C3C=CS(=O)(=O)C3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KEDOXZUEIAVMAJ-UHFFFAOYSA-N
rxn:4:202355:222423,CCc1ccccc1N1CCN(S(=O)(=O)c2c(C)cc(C)c(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)c2C)CC1,OTOXDHIBYSHMLT-UHFFFAOYSA-N
rxn:4:203512:222423,COc1c(-c2cnc(OCC3CCCCO3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CQXIIYZLQAKIID-UHFFFAOYSA-N
rxn:4:212742:223760,COc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCC3)c2)c(OC)cc1OCc1ccccc1,USMTUCJZBNZSDJ-UHFFFAOYSA-N
rxn:4:212787:222423,COCCn1c(=NC(=O)c2ccccc2-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)sc2cc(S(N)(=O)=O)ccc21,FMCQOGGRMPSDDS-UHFFFAOYSA-N
rxn:4:213448:224667,COc1ccc(C2CC(c3c(C)nc4ccc(-c5ccc(Cl)c(CN6CCN(C)CC6)c5)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,WMNMQYMCGFJDFJ-UHFFFAOYSA-N
rxn:4:213475:223724,CCCC(C)Oc1ccc(-c2ccc(-c3ccc([C@@H]4c5ccc6c(cnn6C6CCCCCO6)c5C[C@@H](C)N4CC(F)(F)F)c(OC)c3)cc2)cc1,VOZGZGBZBJOACL-HEJLVAGFSA-N
rxn:4:213480:222601,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc5sc(NC(=O)OC(C)(C)C)nc45)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,XFTXALPUWOTEKB-XBPXGFTOSA-N
rxn:4:214362:222828,CCn1cc(-c2nc(-c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)NC4CC4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,ZMWYIGQYZSTAQH-UHFFFAOYSA-N
rxn:4:214362:223141,CCn1cc(-c2nc(-c3ccc(-c4cncc(C5CCNCC5)c4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,JUNUBNSKVYVLJU-UHFFFAOYSA-N
rxn:4:221277:223541,Cn1c(=O)n(Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,MKQKWPFSTKVLKT-UHFFFAOYSA-N
rxn:4:221567:224782,CN1CCN(c2cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCc5ccccc5)c(=O)n4C)cc3)cc(F)c2F)CC1,HZNKIZHVUOSHHT-UHFFFAOYSA-N
rxn:4:221572:224664,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)cc(CN4CCN(C)CC4)c3)cc2)n(C)c1=O,OXEYFRBLMHYHMM-UHFFFAOYSA-N
rxn:4:221757:223658,Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)cc1,AIYQBCHMURHWSH-UHFFFAOYSA-N
rxn:4:221784:226131,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccccc4CN4CCCC4)cc3)n(C)c2=O)c1,ZPLRKBQRHKVJDB-UHFFFAOYSA-N
rxn:4:221785:222997,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(Cl)cc4C4CCCNC4)cc3)n(C)c2=O)c1,RRQFLYRHNBBEPK-UHFFFAOYSA-N
rxn:4:221788:223141,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cncc(C5CCNCC5)c4)cc3)c(=O)n2C)cc1,FHNDLRVRPNPYPO-UHFFFAOYSA-N
rxn:4:221789:222889,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(F)cc(CN5CCNCC5)c4)cc3)n(C)c2=O)cc1,AEOWFCNVGJTMRM-UHFFFAOYSA-N
rxn:4:221791:223001,Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCCNC3)ccc2F)cc1,KCDBOASQANRWDX-UHFFFAOYSA-N
rxn:4:221928:224668,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(F)cc(N5CCN(CC)CC5)c4)ccc3OC)nnc12,AQNUYYXUHMDQEM-UHFFFAOYSA-N
rxn:4:221986:224298,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc2)CC1,ABEBYZFCDCHYQX-UHFFFAOYSA-N
rxn:4:221995:226038,COc1cc(C(F)(F)F)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,MNEBEWULOGXGOS-UHFFFAOYSA-N
rxn:4:222137:224239,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(F)c(F)c2OCc2ccccc2)cc1,UJVCMYFKDHLNKX-UHFFFAOYSA-N
rxn:4:222137:224241,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(COc3cccc(F)c3F)cc2)cc1,AHLXBBBVDXLPJM-UHFFFAOYSA-N
rxn:4:222137:224515,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(F)c(OCc3ccccc3)c2)cc1,YEMSYMFNOQWJGA-UHFFFAOYSA-N
rxn:4:222137:224522,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3ccccc3)ccc2F)cc1,HUNPRNLTASVXHF-UHFFFAOYSA-N
rxn:4:222137:224639,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cnc(F)c(OCc3ccccc3)c2)cc1,NBESLBOWRFRBRP-UHFFFAOYSA-N
rxn:4:222137:226592,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2OC(C)C)cc1,HSDGOVGOCQIUSP-UHFFFAOYSA-N
rxn:4:222142:223842,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc1,LNDDWUDEUFHMSN-UHFFFAOYSA-N
rxn:4:222144:225249,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cncc(-c3cc(F)cc(F)c3)c2)cc1,ROLNAJYWKATNAK-UHFFFAOYSA-N
rxn:4:222362:223682,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6c(C(F)(F)F)ccc7c6cnn7C6CCCCO6)cc6[nH]ncc56)nn4)cn3c2)CC1,CDMJQMVDWXHGAA-UHFFFAOYSA-N
rxn:4:222363:225000,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCCCC5)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IOPCYBLPQQDXDD-UHFFFAOYSA-N
rxn:4:199982:222423,CCCCCN1C(=O)C(=C2SC(=S)N(CCC)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,CJMMUZZHSNUISH-UHFFFAOYSA-N
rxn:4:201189:223595,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1,HNLGBFCBHUVCMP-UHFFFAOYSA-N
rxn:4:204960:223570,CCOc1cc2c3c(c1)-c1c(sn(-c4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)c1=S)C(C)(C)N3C(=O)C2=O,IPNQLEJBCCIHRB-UHFFFAOYSA-N
rxn:4:207829:222423,COc1c(-c2ccc(N3C(=O)N(c4ccc(F)cc4)C4CS(=O)(=O)CC43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LAAGEGWEGUCRKV-UHFFFAOYSA-N
rxn:4:213451:222743,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(C(C)N6CCC(O)CC6)cc5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,GDFGDSCLEKCKFT-UHFFFAOYSA-N
rxn:4:213451:224979,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(-n6ccnc6)cc5C5CC5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,HVAPVAMBTIRYGM-UHFFFAOYSA-N
rxn:4:213464:222423,COc1cccc(-n2c(SCc3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)nc3c([nH]c4ccccc43)c2=O)c1,CZAAMMMPVPJJNL-UHFFFAOYSA-N
rxn:4:213480:223749,COc1ccc(Cn2cnc3cc(-c4cncc(C(=O)OC[C@H]5CN(C)[C@@H]6Cc7c[nH]c8cccc(c78)[C@@]6(OC)C5)c4)ccc32)cc1,WIERYGUSNNYLGU-BCEMCYDASA-N
rxn:4:214362:223095,CCn1cc(-c2nc(-c3ccc(-c4cccc(NC(C)=O)c4[N+](=O)[O-])cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,YCTHUPXHEKRUDG-UHFFFAOYSA-N
rxn:4:214362:223136,CCn1cc(-c2nc(-c3ccc(-c4ccncc4C4CCCNC4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,VYYOSVOZZPBPSN-UHFFFAOYSA-N
rxn:4:214362:223527,CCn1cc(-c2nc(-c3ccc(-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,PXLPVEZVTPUJAF-UHFFFAOYSA-N
rxn:4:214362:223540,CCn1cc(-c2nc(-c3ccc(-c4cc(S(=O)(=O)N5CCC6(CC5)OCCO6)ccc4OC)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,BUHBNBLKZVDJKJ-UHFFFAOYSA-N
rxn:4:214362:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(-c4csc(-c5cn(CC)c6cc(N7CCCCCC7)c(F)cc6c5=O)n4)cc3)c2)CC1,AQSZZLZMCUYMGV-UHFFFAOYSA-N
rxn:4:214385:222538,COc1cc2cc(C(=O)N3CCc4[nH]c5c(-c6cc(C7CCCC7)nc(C7CCNCC7)c6)cccc5c4C3)n(C)c2cc1OC,GNBIXYFMOVADFJ-UHFFFAOYSA-N
rxn:4:214388:222388,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cccc(NC(=O)Nc5ccc([N+](=O)[O-])cc5)c4)c(OC)cc12)CC3,WKCPIYCTLONRGX-UHFFFAOYSA-N
rxn:4:214388:224195,CCN1CCN(Cc2cc(-c3cc4c(cc3OC)c(C(=O)N3CCc5[nH]c6ccc(OC)cc6c5C3)c(C)n4C)ccc2Cl)CC1,XUQFIHHKEICVTL-UHFFFAOYSA-N
rxn:4:219100:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(CCC(C)C)c(=O)n2C)n1CC(C)=O,OYUWHQCPNCZRID-UHFFFAOYSA-N
rxn:4:219189:222856,COc1ccc(C2CCNCC2)cc1-c1ccc(OC)c(-c2nc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)c(C)o2)c1,FTDRHNNXOXXTLZ-UHFFFAOYSA-N
rxn:4:220169:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)c1ccc2c(c1)OCCO2,ZPFKJQJLNBJTIX-UHFFFAOYSA-N
rxn:4:220261:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(Cn4c(=O)c5c(nc6oc(-c7ccc(F)cc7)cn65)n(C)c4=O)cc3)c(F)ncc21,NQLCGZKIQZXOMT-UHFFFAOYSA-N
rxn:4:221263:223570,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)n(C)c1=O,CVIQRIFAAFXVBH-UHFFFAOYSA-N
rxn:4:221757:224866,Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccccc2OCc2ccccc2)cc1,BGENLFFAHMSECU-UHFFFAOYSA-N
rxn:4:221757:227669,COc1c(F)c(C)cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4)c(=O)n3C)cc2)c1F,WBAFGXHIOPYBMA-UHFFFAOYSA-N
rxn:4:221778:224015,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCOCC1,SVDMYDDWRXYJJX-UHFFFAOYSA-N
rxn:4:221781:222538,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c1C,BPPYXFUUDGINGF-UHFFFAOYSA-N
rxn:4:221782:222886,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(N5CCNCC5)cc4C#N)cc3)c(=O)n2C)c(C)c1,PWYLQNRLVLDHSJ-UHFFFAOYSA-N
rxn:4:221787:223008,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4F)cc3)c(=O)n2C)c1,NXRGNRMESXQNNZ-UHFFFAOYSA-N
rxn:4:221794:223106,O=c1cc(CSc2nc3ccc(-c4cnc(N5CCC(O)C5)nc4Cl)cc3c3nc4ccccc4n23)nc2ccc(Cl)cn12,WXCNSHSBTNSBHA-UHFFFAOYSA-N
rxn:4:221995:222518,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(F)c6sc(NC(=O)OC(C)(C)C)nc56)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,RWUDOAFPWZXQMT-UHFFFAOYSA-N
rxn:4:222137:224219,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)ccc(OCc3ccccc3)c2Cl)cc1,KDGICUDVESIJOH-UHFFFAOYSA-N
rxn:4:222137:224524,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3ccccc3)ccc2Cl)cc1,ADFJQLRPUGQSQB-UHFFFAOYSA-N
rxn:4:222137:224562,COc1cc(Oc2ccccc2)ccc1-c1ccc(-n2c(C)cn3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)cc1,ZHXBYPFQCWNFMF-UHFFFAOYSA-N
rxn:4:222142:224234,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3ccccc3)c(F)cc2F)cc1,MWUVQZOIHGPNCA-UHFFFAOYSA-N
rxn:4:222362:224066,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(-c7ccncc7)cc(C(C)(C)C)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,GUZMDAIVDUXFPX-UHFFFAOYSA-N
rxn:4:222362:224586,CC1CCN(Cc2ccc(F)cc2-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)CC1,IEFQOINADKGTQJ-UHFFFAOYSA-N
rxn:4:222362:226135,Cc1cc(C#N)c(C2CC2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,LLMYUJODHPTTSX-UHFFFAOYSA-N
rxn:4:222363:224590,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCC(C)CC5)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KNMMDCOUCMPKAP-UHFFFAOYSA-N
rxn:4:185485:222423,COc1c(-c2ccccc2Oc2c(C)oc3cc(OCC#N)ccc3c2=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BXLKUEQUTHGPNZ-UHFFFAOYSA-N
rxn:4:212748:223707,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2)CCN1C(=O)OC(C)(C)C,OMKHBBJLDQHNDR-UHFFFAOYSA-N
rxn:4:213198:222423,CCn1cc(S(=O)(=O)N2CCSC2c2ccc(OC)c(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)c2)nc1C,RJIXCZRGTZPDMQ-UHFFFAOYSA-N
rxn:4:213405:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc(C)c(C)c34)c2C)cc1,OHPUZKBMYGNSCR-UHFFFAOYSA-N
rxn:4:213448:225122,COc1ccc(C2CC(c3c(C)nc4ccc(-c5cncc(O[Si](C)(C)C(C)(C)C)c5)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,XVRQXGOSBYLRHI-UHFFFAOYSA-N
rxn:4:213468:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4c5ccc(F)cc5c5ncn(Cc6cccc(OC)c6)c(=O)c54)cc3)ccc2OC)CC1,SYNWIXQOKNKVHD-UHFFFAOYSA-N
rxn:4:213480:223818,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4c(F)cc(F)c5c4ccn5C(=O)OC(C)(C)C)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,UZBLDCPQBOJQRZ-IKIJVCGNSA-N
rxn:4:213968:222423,COc1c(-c2cnc(OC3CCN(S(=O)(=O)c4cc(C)ccc4C)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IKINNKNULJFLQA-UHFFFAOYSA-N
rxn:4:214308:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N5CCCC5)cc3)n4C)c(F)ncc21,LVNAWNBJYUIDTF-UHFFFAOYSA-N
rxn:4:214338:223835,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4c(-c5cc(S(=O)(=O)N6CCC(C)CC6)c(C)cc5F)cccc43)C2=O)cc1,MTUFJHVSQIFZCV-UHFFFAOYSA-N
rxn:4:219191:222423,COc1ccc(C2CC(c3ccccc3)=NN2c2nc(-c3ccccc3)c3cc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)ccc3n2)cc1,YNYMLTGQHMJDFJ-UHFFFAOYSA-N
rxn:4:220956:222423,COc1c(-c2ccc3c(c2)C(c2ccccc2Cl)=NCc2nnc(C)n2-3)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HNWUTSWXBFACPT-UHFFFAOYSA-N
rxn:4:221121:223474,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCc6ccccc6)c(C67CC8CC(CC(C8)C6)C7)c5)ccc43)CC2)CC1,NDBOUAQARUPQOF-UHFFFAOYSA-N
rxn:4:221547:222423,COCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)n(C)c1=O,YBKMRHNIKXOLCE-UHFFFAOYSA-N
rxn:4:221568:224782,CN1CCN(c2cc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6Cc5ccccc5)n(C)c4=O)cc3)cc(F)c2F)CC1,SKRWLYGWZVSDMW-UHFFFAOYSA-N
rxn:4:221570:222630,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c1,JKKVMTRTXYBSPN-UHFFFAOYSA-N
rxn:4:221572:224667,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(Cl)c(CN4CCN(C)CC4)c3)cc2)n(C)c1=O,XQLKFKSDZPGYEI-UHFFFAOYSA-N
rxn:4:221757:229028,Cc1cc(Cl)ccc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)cc1,SRLVDQWRKVRUOM-UHFFFAOYSA-N
rxn:4:221758:224663,CN1CCN(Cc2ccc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5ccccc5Cl)c(=O)n4C)cc3)cc2F)CC1,NCWYHDUGOFAAAM-UHFFFAOYSA-N
rxn:4:221766:224015,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCOCC5)c(C)cc4F)cc3)c(=O)n2C)cc1,DMVCSYFCPLOBIH-UHFFFAOYSA-N
rxn:4:221776:224666,CC1CN(c2ccc(-c3ccc(F)c(CN4CCN(C)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,HAGIURULYPXRJJ-UHFFFAOYSA-N
rxn:4:221782:222924,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(C)c(S(=O)(=O)NC(C)C)c4)cc3)c(=O)n2C)c(C)c1,UEECZFZRLCRKIC-UHFFFAOYSA-N
rxn:4:221790:223003,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(Cl)c(C4CCNCC4)c3)cc2)n(C)c1=O,NUGKPWCEDMBFJN-UHFFFAOYSA-N
rxn:4:221929:224200,Cc1cc(Cl)c(OCc2cccnc2)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,YFHISHDLIDUKPO-UHFFFAOYSA-N
rxn:4:221986:224296,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)CC1,MWNNLIDIIBZVGI-UHFFFAOYSA-N
rxn:4:221994:224007,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(OC(F)(F)F)cc(OCC(C)C)c5F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,CKDNIHBNKCKSCV-UHFFFAOYSA-N
rxn:4:221995:223977,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(C(F)(F)F)ccc5C(=O)OC(C)(C)C)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,GKXFBLMFQLMWMY-UHFFFAOYSA-N
rxn:4:222137:223908,COc1ccc(COc2cc(Cl)ccc2-c2ccc(-n3c(C)cn4c5c(=O)n(CCN6CCOCC6)c(=O)n(C)c5nc34)cc2)cc1,SMCSQZFTTHKIJK-UHFFFAOYSA-N
rxn:4:222137:223962,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)ccc(OCc3ccccc3F)c2F)cc1,UJXZGJZTBSRDSS-UHFFFAOYSA-N
rxn:4:222261:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(-c2noc(Cn3cnc4c(nnn4Cc4ccccc4)c3=O)n2)ccc1F,CGUHGEYVBBYWCC-UHFFFAOYSA-N
rxn:4:222352:222623,CCC(C)c1cc(-c2ccc(-c3c(C)nn4c3ncc3c(=O)n(-c5nnc(SC)[nH]5)ccc34)cc2)cc(C2CCNCC2)n1,FQYYYYDVKKWOKF-UHFFFAOYSA-N
rxn:4:222352:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4c(C)nn5c4ncc4c(=O)n(-c6nnc(SC)[nH]6)ccc45)cc3)c(F)cc2C)CC1,HWLUCJXUGFLOCW-UHFFFAOYSA-N
rxn:4:222362:224616,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccccc6OCCN6CCOCC6)cc6[nH]ncc56)nn4)cn3c2)CC1,PQZYADYXYBLCBN-UHFFFAOYSA-N
rxn:4:222363:223008,Cc1cc(CN2CCN(c3c(-c4cc(C5CCNCC5)ccc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LZUZSOSOTXGZTG-UHFFFAOYSA-N
rxn:4:222363:223539,COc1ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,WBYSYSZATYLHGX-UHFFFAOYSA-N
rxn:4:222363:224657,Cc1cc(CN2CCN(c3c(-c4cccc(O[Si](C)(C)C(C)(C)C)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RWSHSYLZEQXBLS-UHFFFAOYSA-N
rxn:4:199983:222537,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cc32)SC1=S,YORGMEVVZYWLJF-UHFFFAOYSA-N
rxn:4:202534:222423,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1F,IYECXSFJXUYALO-UHFFFAOYSA-N
rxn:4:204874:222423,COc1c(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5cccc([N+](=O)[O-])c5)C(=O)C34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZZZWNRRNRPTMIM-UHFFFAOYSA-N
rxn:4:204939:223557,COc1cccc(C2c3c(oc4ccc(-c5c(F)ccc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1,MAWOXKALCAMGOC-UHFFFAOYSA-N
rxn:4:207929:223845,Cc1cccc(N2C(=O)c3oc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4c(=O)c3C2c2cccc(Cl)c2)n1,DYTWFDDFVDDPFD-UHFFFAOYSA-N
rxn:4:212746:222423,COc1c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c(N3CCOCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YSRUKIQCGXEQPO-UHFFFAOYSA-N
rxn:4:212751:222533,Cc1ccc(C)c(NC(=O)c2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)c1,VXHOZXWXPNEZJA-UHFFFAOYSA-N
rxn:4:213445:224195,CCN1CCN(Cc2cc(-c3c(OC)ccc4cc(-c5nc6c(-c7ccc(OC)c(OC)c7)cnn6cc5C)ccc34)ccc2Cl)CC1,QBEIUJIWJQXHGS-UHFFFAOYSA-N
rxn:4:213447:222890,CCC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)CC1c1ccc(-c2cc(OC)nc(C3CCCNC3)c2)cc1,OZXBYSCOCDHNOL-UHFFFAOYSA-N
rxn:4:213448:223054,COc1ccc(C2CC(c3c(C)nc4ccc(-c5ccc(C(C)N6CCC(O)C6)s5)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,QMGQTWZATDEBNJ-UHFFFAOYSA-N
rxn:4:213448:223699,COc1ccc(C2CC(c3c(C)nc4ccc(-c5ccc(S(=O)(=O)N6CCOCC6)cc5C(F)(F)F)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,LMDSQYCNCOFBPJ-UHFFFAOYSA-N
rxn:4:213451:222826,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(S(=O)(=O)N6CCNCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,QAJJJCJNZQYQSR-UHFFFAOYSA-N
rxn:4:214388:222521,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c4)c(OC)cc12)CC3,XVHASRQOALQCFB-UHFFFAOYSA-N
rxn:4:214388:223519,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cccc(-c5nc6ccccc6n5-c5ccccc5)c4)c(OC)cc12)CC3,RXGHWLVVAXHGQM-UHFFFAOYSA-N
rxn:4:214388:226202,CCc1nn(C)c2cc(-c3cc4c(cc3OC)c(C(=O)N3CCc5[nH]c6ccc(OC)cc6c5C3)c(C)n4C)ccc12,SWUUPDUYEQWMAR-UHFFFAOYSA-N
rxn:4:218785:222822,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(S(=O)(=O)NC4CC4)c(C)cc3F)cc1-2,PQGKGRZDVLNLIO-UHFFFAOYSA-N
rxn:4:221531:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(-c2noc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)n2)ccc1F,NHCVVMUDNGNDHC-UHFFFAOYSA-N
rxn:4:221747:223992,Cc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCN5c4ccc(F)cc4)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1,AVJJRXWKHAVYKG-UHFFFAOYSA-N
rxn:4:221761:224667,CN1CCN(Cc2cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5c(F)cccc5Cl)c(=O)n4C)cc3)ccc2Cl)CC1,XAVFOBXWHGNPQM-UHFFFAOYSA-N
rxn:4:221772:222956,Cc1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4)c(=O)n3C)cc2)c(C2CCCNC2)c1,DLCVEPGYJSOZQZ-UHFFFAOYSA-N
rxn:4:221774:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4C)c(=O)n3C)cc2)c(F)cc1C,AURYLOHTIGDXIB-UHFFFAOYSA-N
rxn:4:221777:222996,CC1CN(c2ccc(-c3ccc(F)cc3C3CCCNC3)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,XTWFMIOUHNGCFL-UHFFFAOYSA-N
rxn:4:221783:223065,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(N5CCNCC5)cc4F)cc3)c(=O)n2C)c1,KSDWNSXFTNMGHY-UHFFFAOYSA-N
rxn:4:221848:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(-n3ccc4c(nnc5c(-c6ccc(F)cc6)c(C)nn54)c3=O)cc2)CC1,BIAKQFREFYSBRQ-UHFFFAOYSA-N
rxn:4:221994:223474,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(OCc6ccccc6)c(C67CC8CC(CC(C8)C6)C7)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,FFNMZDKCCPHTCJ-UHFFFAOYSA-N
rxn:4:222110:223827,CC#CCn1c(-c2cc(C(F)(F)F)ccc2N2CCN(CC)CC2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,MEMRRASGOSZPLZ-UHFFFAOYSA-N
rxn:4:222135:222523,COc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,YAUHAYRSNIHUBL-UHFFFAOYSA-N
rxn:4:222137:223925,Cc1cc(-c2ccc(-n3c(C)cn4c5c(=O)n(CCN6CCOCC6)c(=O)n(C)c5nc34)cc2)c(F)c(OCc2ccccc2)c1F,NHLFHVXHNAGSEU-UHFFFAOYSA-N
rxn:4:222137:224514,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)cc(OCc3ccccc3)c2)cc1,YRFJRNDLCMEEHO-UHFFFAOYSA-N
rxn:4:222138:222493,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)cc(NC(=O)OCc3ccccc3)c2)cc1,SBHUANDLGAYNAE-UHFFFAOYSA-N
rxn:4:222250:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(Cn3c(=O)c4c(nc5n(CCCn6ccnc6)c(C)cn45)n(C)c3=O)cc2)CC1,TVZDCCRWPNGOCG-UHFFFAOYSA-N
rxn:4:222362:222758,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc1NC(=O)OC(C)(C)C,FQSSIVJXHBQZEF-UHFFFAOYSA-N
rxn:4:222362:224048,CCCOc1ccc(-c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)cc1,ZLGIDZBRNYQLSB-UHFFFAOYSA-N
rxn:4:222362:224281,COc1cc(OC)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(OC)nc2c1,OGPTYWVCCSCMGP-UHFFFAOYSA-N
rxn:4:222362:224301,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(O[Si](C)(C)C(C)(C)C)cc(F)c6F)cc6[nH]ncc56)nn4)cn3c2)CC1,DPWAQJOBFGFRES-UHFFFAOYSA-N
rxn:4:222362:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,YMTOPPMACIFFIU-UHFFFAOYSA-N
rxn:4:199983:225806,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4cnc(OC5CCCC5)cc4F)cc32)SC1=S,GZCXJLAYBVNHOH-UHFFFAOYSA-N
rxn:4:202276:222423,COc1c(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GUJLGUBJJOLGIU-UHFFFAOYSA-N
rxn:4:202800:222448,CC#Cc1cc2c(c(F)c1-c1cc(C(=O)NCc3ccccc3)cc([N+](=O)[O-])c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,DWPGHYOTWDQOHM-MUUNZHRXSA-N
rxn:4:212735:222423,COc1c(-c2ccc(Oc3ccc(S(=O)(=O)N(C)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CGSWKKMBFHVDFZ-UHFFFAOYSA-N
rxn:4:213451:224089,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OCCN6CCC(C)CC6)cc5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,RXRSPEVEKSLEJL-UHFFFAOYSA-N
rxn:4:213474:223690,COC(=O)c1cc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc([C@@H]5CC6(CC6)CN5C(=O)OC(C)(C)C)[nH]4)ccc2-3)cn1S(=O)(=O)c1ccc(C)cc1,DCGVZVMIMUEEAO-UMSFTDKQSA-N
rxn:4:219141:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1CCC(C)C,GLQWUFYXKPOVNK-UHFFFAOYSA-N
rxn:4:219189:223536,COc1ccc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,OQGPKQZOBMZCNW-UHFFFAOYSA-N
rxn:4:221252:223694,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)c(C)cc2F)cc1,UMUIYMARXSJWEY-UHFFFAOYSA-N
rxn:4:221274:222805,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)c(N3CCC(O)CC3)c2)cc1,CXSRWECRGBULON-UHFFFAOYSA-N
rxn:4:221535:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(Cn4c(CN5CCOCC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)ccc21,NFQKMGCITVSLAF-UHFFFAOYSA-N
rxn:4:221566:222702,CCc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)c(=O)n2C)cc1,OAUKPGAYDZDMTK-UHFFFAOYSA-N
rxn:4:221571:224398,Cc1cc(F)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CC=Cc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCCC1,QKGVYAYGWLDENX-UHFFFAOYSA-N
rxn:4:221747:223997,Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCN5c4ccc(F)cc4)n(C)c3=O)cc2)cc(C)c1S(=O)(=O)N1CCOCC1,NRMPWWDOJGDLKF-UHFFFAOYSA-N
rxn:4:221752:222423,CCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)n(C)c1=O,AEHPGETWIWNMTF-UHFFFAOYSA-N
rxn:4:221761:224664,CN1CCN(Cc2cc(F)cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5c(F)cccc5Cl)c(=O)n4C)cc3)c2)CC1,VIALTXPCEZXCKN-UHFFFAOYSA-N
rxn:4:221764:223993,Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n(C6CCCC6)c(C)cn45)n(C)c3=O)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,XJVFFAZDRSNEHK-UHFFFAOYSA-N
rxn:4:221769:223105,CNS(=O)(=O)c1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCN5c4cc(C)cc(C)c4)n(C)c3=O)cc2)c(F)cc1C,JGVXNNOZNWHYNH-UHFFFAOYSA-N
rxn:4:221778:222848,CCc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)cc2)cc(C2CCCNC2)n1,HQSWUEWBAVIHBI-UHFFFAOYSA-N
rxn:4:221778:224950,COc1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)cc2)c(CN2CCCC2)c1,RJZMYAARJGBCND-UHFFFAOYSA-N
rxn:4:221778:225212,CC1CN(c2ccc(-c3cc(F)cc(N4CCN(C)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1,QEGKVMQNKCZZMK-UHFFFAOYSA-N
rxn:4:221781:222537,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c1C,AFDDHTFZRQLDJW-UHFFFAOYSA-N
rxn:4:221784:223000,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccc(C5CCCNC5)c(F)c4)cc3)n(C)c2=O)c1,KWLPGRLLYGOQEJ-UHFFFAOYSA-N
rxn:4:221785:222700,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(C(F)(F)F)cc4C4CCCNC4)cc3)n(C)c2=O)c1,FNRQNEMVEKXGIN-UHFFFAOYSA-N
rxn:4:221786:222890,COc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)c(C)c4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,FEEDNYQXNFBURS-UHFFFAOYSA-N
rxn:4:221929:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,IBUGKXWZCISYAI-UHFFFAOYSA-N
rxn:4:221988:224194,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(CN5CCN(CC)CC5)c(Cl)c4)ccc3OC)nnc12,VFUBGEWRUJKMJR-UHFFFAOYSA-N
rxn:4:221990:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(OC)c(-c2nnc3n(CCC(C)C)c4c(=O)n(C)c(=O)n(C)c4n23)c1,ZDNULIVPSJCLCK-UHFFFAOYSA-N
rxn:4:221995:223605,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(Oc6ccc(C(F)(F)F)cc6[N+](=O)[O-])cc5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,AAGMDSRLZKWRRE-UHFFFAOYSA-N
rxn:4:222137:222438,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)ccc2Cl)cc1,HMSOHRWNWMVSHO-UHFFFAOYSA-N
rxn:4:222142:224015,Cc1cc(F)c(-c2ccc(-n3c(C)cn4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cc1S(=O)(=O)N1CCOCC1,SGLQRZUPTDOGMS-UHFFFAOYSA-N
rxn:4:222143:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCCCC4)c(=O)n3C)cc2)c(F)cc1C,RBHAJKJHGFVMPO-UHFFFAOYSA-N
rxn:4:222362:223604,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(Oc7ccc(C(F)(F)F)cc7[N+](=O)[O-])c6)cc6[nH]ncc56)nn4)cn3c2)CC1,GUNOKHLMMHYTLW-UHFFFAOYSA-N
rxn:4:222362:224150,Cc1c(F)cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1OCc1ccccc1,OYBLYRHVNGPDFI-UHFFFAOYSA-N
rxn:4:222362:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cnc1Cl,BBTNQZREIMDULF-UHFFFAOYSA-N
rxn:4:222362:224581,Cc1ccn(-c2ccc(C3CC3)c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)n1,VCIODLCIPRWYDQ-UHFFFAOYSA-N
rxn:4:222363:224117,Cc1cc(CN2CCN(c3c(-c4ccc(F)cc4OCCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NTAMHGZAMGGMHA-UHFFFAOYSA-N
rxn:4:222363:225186,Cc1cc(CN2CCN(c3c(-c4ccc(F)c(CN5CCSCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BAFUZUFDTAOXLC-UHFFFAOYSA-N
rxn:4:188021:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(SC)cc2)N(CC2CCCO2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CDWOPWHAQYMMJF-UHFFFAOYSA-N
rxn:4:188026:222622,CCC(C)c1cc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(C)C)cc2)N(CC2CCCO2)C4=O)cc(C2CCCNC2)n1,KIENTKUOUBOZSN-UHFFFAOYSA-N
rxn:4:199983:227381,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4cnc(C5CCCC5)nc4)cc32)SC1=S,QKEZVGWLUNLKFH-UHFFFAOYSA-N
rxn:4:200052:222423,CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)c1,ZMLWRIVGFVCZQU-UHFFFAOYSA-N
rxn:4:201117:223570,Cc1ccc(S(=O)(=O)n2c(C)nc3c(OCc4ccccc4)cc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc32)cc1,SVXBUNDEDFDFNP-UHFFFAOYSA-N
rxn:4:204939:222423,COc1cccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1,YESXLNLVEKIFEY-UHFFFAOYSA-N
rxn:4:204956:223536,Cc1cc(N2C(=O)c3oc4ccc(-c5cc(F)c(F)c(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)no1,JQNPSGJLFPLSCA-UHFFFAOYSA-N
rxn:4:204958:223520,Cc1csc(N2C(=O)c3oc4ccc(-c5ccc(C(C)N6CCN(C(=O)OC(C)(C)C)CC6)cc5)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)n1,AZMCNENWVVWOEV-UHFFFAOYSA-N
rxn:4:206180:222423,COc1c(-c2cnc(OC3CCSCC3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YDQPKADOLKKXIW-UHFFFAOYSA-N
rxn:4:212751:223551,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(-c4ccc(OCc5ccccc5)cc4)cc3)c2)CCN1C(=O)OC(C)(C)C,VZGSCKZDMMANRU-UHFFFAOYSA-N
rxn:4:212751:225154,COc1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc(-c2cnn(C)c2)c1,RAWXEQLKJBACOF-UHFFFAOYSA-N
rxn:4:212780:222423,COC(=O)Cn1c(=NC(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)sc2cc(S(N)(=O)=O)ccc21,VLGKHESQJRNQQZ-UHFFFAOYSA-N
rxn:4:213029:222423,COc1c(-c2ccc(-n3nnc(C(=O)OCc4cccc(F)c4)c3C)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KUXSJQFNUPKECE-UHFFFAOYSA-N
rxn:4:213438:222437,COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1,ZXAJBASOYZDOJR-UHFFFAOYSA-N
rxn:4:213448:224307,COc1ccc(C2CC(c3c(C)nc4ccc(-c5c(F)cc(O[Si](C)(C)C(C)(C)C)cc5F)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,AKIKVYRLYMNVJX-UHFFFAOYSA-N
rxn:4:213480:223760,COc1cc(-c2cncc(C(=O)OC[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(c56)[C@@]4(OC)C3)c2)c(OC)cc1OCc1ccccc1,WWXQLWFKGRBELE-BCEMCYDASA-N
rxn:4:214236:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(-c2ccc(F)cc2)nc2n1CCN(C(=O)OC(C)(C)C)C2,GNOBQQFWOBYCEC-UHFFFAOYSA-N
rxn:4:218761:222423,COc1c(-c2ccc(-c3noc(CSc4nc5ccccc5c(=O)n4Cc4ccc(F)cc4)n3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LFKJMKNOQWEILR-UHFFFAOYSA-N
rxn:4:218785:223841,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)cc1-2,GPBQQSUWPOJLJW-UHFFFAOYSA-N
rxn:4:219098:222846,N#Cc1ccc(C2CCCNC2)cc1-c1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3C3CC3)n2)cc1,NIZXYWAJUNFVNT-UHFFFAOYSA-N
rxn:4:219569:222423,COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1[N+](=O)[O-],QOGZKUOOFKRWCE-UHFFFAOYSA-N
rxn:4:219622:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3c(F)cccc3Cl)c(=O)n2C)n1CC(C)=O,ALMLFJJCLVJNJS-UHFFFAOYSA-N
rxn:4:221274:222423,COc1c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KTCURLAICVXFCP-UHFFFAOYSA-N
rxn:4:221760:224670,CN1CCN(Cc2ccc(F)c(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5ccccc5F)c(=O)n4C)cc3)c2)CC1,WSTNUMFYRYLYLS-UHFFFAOYSA-N
rxn:4:221764:222423,COc1c(-c2ccc(Cn3c(=O)c4c(nc5n(C6CCCC6)c(C)cn45)n(C)c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YWGJYRLTONLUFA-UHFFFAOYSA-N
rxn:4:221765:222956,Cc1ccc(Cn2c(=O)c3c(nc4n(-c5ccc(-c6ccc(C)cc6C6CCCNC6)cc5)c(C)cn34)n(C)c2=O)cc1,IPUHPICHPDPWJZ-UHFFFAOYSA-N
rxn:4:221770:223992,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(C)c(S(=O)(=O)N5CCN(C)CC5)c4)cc3)c(=O)n2C)c1,BXVQPZTZDHEBNX-UHFFFAOYSA-N
rxn:4:221777:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)cc2)CC1,JCOPBLGMYKYDFQ-UHFFFAOYSA-N
rxn:4:221787:222718,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)cc3)c(=O)n2C)c1,UCSUFCDAXWDIBL-UHFFFAOYSA-N
rxn:4:221787:222848,CCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4cc(C)cc(C)c4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,AISMKYZPTOUGIX-UHFFFAOYSA-N
rxn:4:221790:225186,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(F)c(CN4CCSCC4)c3)cc2)n(C)c1=O,FMQLHGPUKPUTMN-UHFFFAOYSA-N
rxn:4:221929:223499,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(Cl)c(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,JOESRGAUQGQYGJ-UHFFFAOYSA-N
rxn:4:221929:224140,Cc1cc(OCc2ccc(Cl)cc2)ccc1-c1ccc(Cn2c(=O)c3c(nc4n(CCCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,MTCUJJTWBFIVPV-UHFFFAOYSA-N
rxn:4:221994:222824,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)cc1S(=O)(=O)NC(C)C,YNABGKAACVVPIM-UHFFFAOYSA-N
rxn:4:221994:223995,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(N6CCN(C)CC6)cc(C(F)(F)F)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,CTDYPGQONOQROS-UHFFFAOYSA-N
rxn:4:222143:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)cc1,VKRUWFXZDDLZPE-UHFFFAOYSA-N
rxn:4:222362:222486,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cncc(-c7cncc(C8CCCCN8)c7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,WARFYFBDHPSOME-UHFFFAOYSA-N
rxn:4:222363:222811,Cc1cc(CN2CCN(c3c(-c4cc(Cl)nc(NC(=O)OC(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XZWZWBQCHQGLMN-UHFFFAOYSA-N
rxn:4:184403:222423,COC(=O)Cc1cc(C#N)c(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1C(F)F,HOJZXYJPBPAODO-UHFFFAOYSA-N
rxn:4:199983:224165,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4c(C)ccc5c4cnn5C4CCCCO4)cc32)SC1=S,GRYUBLOJFQJLPD-UHFFFAOYSA-N
rxn:4:201186:223814,CCCOc1ccc(C2c3c(oc4ccc(-c5ccc(CN6CCC7(CC6)OCCO7)cc5F)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,ZNBBAQXSZANGJJ-UHFFFAOYSA-N
rxn:4:201186:223815,CCCOc1ccc(C2c3c(oc4ccc(-c5ccc(Cl)c(CN6CCC7(CC6)OCCO7)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,CCHDQQSLSDOITO-UHFFFAOYSA-N
rxn:4:212839:222440,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(S(=O)(=O)NCc5ccco5)cc4C(F)(F)F)ccn23)CC1,TYNYVRYPQSIWSH-UHFFFAOYSA-N
rxn:4:212846:222603,COc1cc(-c2ccc(CSc3nc4sc5c(c4c(=O)n3Cc3ccco3)CCN(C(C)=O)C5)cc2)c(Cl)cc1NC(=O)OC(C)(C)C,AJLHLZCEGKMTIR-UHFFFAOYSA-N
rxn:4:212846:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(CSc4nc5sc6c(c5c(=O)n4Cc4ccco4)CCN(C(C)=O)C6)cc3)cc2C)CC1,YNOUOQCBWICYHR-UHFFFAOYSA-N
rxn:4:213451:223996,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(N6CCN(C)CC6)cc5C(F)(F)F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,JHZOPHUQCZRDSI-UHFFFAOYSA-N
rxn:4:214376:223845,CC(C)Cc1nnc(N2C(=O)c3oc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4c(=O)c3C2c2ccccc2)s1,ZPMRJJODWFXEOB-UHFFFAOYSA-N
rxn:4:214388:225275,COCCOc1c(F)c(C)cc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c1F,UMACPVFSZLKDRY-UHFFFAOYSA-N
rxn:4:215310:223557,CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)C2c2ccc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)c2ccccc21,SFGRAMGLGXRJRI-UHFFFAOYSA-N
rxn:4:218751:222423,COc1c(-c2ccc3nc(N(Cc4ccccn4)C(=O)c4ccc(N(C)C)cc4)sc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,PVLQITMMJZRYHN-UHFFFAOYSA-N
rxn:4:218785:222648,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(NC(=O)OC(C)(C)C)c(C)cc3C)cc1-2,NVYONDILVRXAOQ-UHFFFAOYSA-N
rxn:4:218785:223949,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cnc(N(C)C)nc3OCc3ccccc3)cc1-2,MAHVTCUBJVJGRO-UHFFFAOYSA-N
rxn:4:218785:223950,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cnc(OCc4ccccc4)nc3N(C)C)cc1-2,XNORPGVGWGJZQY-UHFFFAOYSA-N
rxn:4:221201:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)cc1,NCSLNZURDAJTKT-HSZRJFAPSA-N
rxn:4:221275:222725,CCNS(=O)(=O)c1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)c(C(F)(F)F)c1,IDBAMNDMKPUPRF-UHFFFAOYSA-N
rxn:4:221565:222423,COc1c(-c2ccc(Cn3c(=O)c4c(nc5n(Cc6ccco6)c(C)c(C)n45)n(C)c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SMNNSHOAFQFLQM-UHFFFAOYSA-N
rxn:4:221747:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCN4c3ccc(F)cc3)n(C)c2=O)cc1,KHXLPCMIQFCAIL-UHFFFAOYSA-N
rxn:4:221774:222701,Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)cc2)n(C)c1=O,PBDWINWERWQNNX-UHFFFAOYSA-N
rxn:4:221774:225530,CCN(CC)Cc1ccc(F)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)cc1,VHPXBIMKNRJNGO-UHFFFAOYSA-N
rxn:4:221776:222848,CCc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)cc(C2CCCNC2)n1,FXEDVQKSFWHCCM-UHFFFAOYSA-N
rxn:4:221781:224950,COc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4cccc(C)c4C)n(C)c3=O)cc2)c(CN2CCCC2)c1,YLZGUNSLGJHVBT-UHFFFAOYSA-N
rxn:4:221784:222612,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cc3)n(C)c2=O)c1,VDTQJCKJHHUHLU-UHFFFAOYSA-N
rxn:4:221784:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3cc(C)ccc3C)c(=O)n2C)cc1,ZMSHUMFOWGJPTO-UHFFFAOYSA-N
rxn:4:221793:223168,CC1CN(c2ccc(-c3cccnc3N3CCNCC3)cc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1,IINGEBRTLVFMNP-UHFFFAOYSA-N
rxn:4:221990:222705,COc1ccc(-c2cc(C3CCNCC3)cc(C(F)(F)F)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,YADPRTZJFLFTCS-UHFFFAOYSA-N
rxn:4:221995:225762,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(Cl)c(F)c(OCC(C)C)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,SWLRQLZZELBBBW-UHFFFAOYSA-N
rxn:4:222135:223641,CCc1cc2c(cc1F)cc(-c1ccc(OC)c(-c3nnc4n(Cc5ccccc5)c5c(=O)n(C)c(=O)n(C)c5n34)c1)n2C(=O)OC(C)(C)C,ITCJHPQWJLIKKI-UHFFFAOYSA-N
rxn:4:222137:224290,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1,UOJKNMWQVLLEQM-UHFFFAOYSA-N
rxn:4:222138:224150,Cc1c(F)cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCOCC4)c(=O)n3C)cc2)cc1OCc1ccccc1,HXAZDKBBJFPZFW-UHFFFAOYSA-N
rxn:4:222362:222586,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C(=O)NCCc7ccc(F)cc7)s6)cc6[nH]ncc56)nn4)cn3c2)CC1,HRMXCCHNIZEICY-UHFFFAOYSA-N
rxn:4:222362:222589,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OCCN7CCC(O)CC7)c(Cl)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,AILIYMOYEJHRDL-UHFFFAOYSA-N
rxn:4:222362:222624,CC(C)Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C2CCNCC2)n1,AYEFKDGASXUXQC-UHFFFAOYSA-N
rxn:4:222362:223699,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(S(=O)(=O)N7CCOCC7)cc6C(F)(F)F)cc6[nH]ncc56)nn4)cn3c2)CC1,UKHLSYBVINMNSQ-UHFFFAOYSA-N
rxn:4:222362:223932,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc7c(Cl)cccc7n6C(=O)OC(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,UPKPGOFGPBXFNC-UHFFFAOYSA-N
rxn:4:222363:224573,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCCCC5C)cc4C#N)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NXIGXCFSLPYVKV-UHFFFAOYSA-N
rxn:4:222363:225469,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCCC(C)C5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RFHOVDNSMPVXFP-UHFFFAOYSA-N
rxn:4:222363:225823,Cc1cc(CN2CCN(c3c(-c4cc(C(C)C)cc(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HFWGNSYCZMEPCV-UHFFFAOYSA-N
rxn:4:194202:222423,COc1c(-c2ccc3nc(OC4COC4)sc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XHJNXCXTGZOJMV-UHFFFAOYSA-N
rxn:4:199983:222760,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4ccc(C(=O)Nc5ccccn5)cc4)cc32)SC1=S,UPLGYJIFZJYMNY-UHFFFAOYSA-N
rxn:4:201184:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2)N(CCCN2CCOCC2)C4=O)CC1,TVJQVAWTPXUEIX-UHFFFAOYSA-N
rxn:4:203241:222423,COc1c(-c2cnc(-c3cccc(OC(F)(F)F)c3)cn2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RTGMRPGLDGQFTJ-UHFFFAOYSA-N
rxn:4:204184:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(C)cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c1C,IYAYZUDYJJCMQB-UHFFFAOYSA-N
rxn:4:212845:222439,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5ccc(S(=O)(=O)NC6CCCCC6)cc5C(F)(F)F)c4)n(Cc4ccco4)c(=O)c23)C1,CGQSDMOVSBMOMD-UHFFFAOYSA-N
rxn:4:213445:223480,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(C)c(S(=O)(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c(C)c6)c(OC)ccc5c4)nc23)cc1OC,APQDPDVIUJAPGO-UHFFFAOYSA-N
rxn:4:213451:223658,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(S(=O)(=O)N6CCOCC6)c6ccccc56)cc43)C(=O)N2c2ccc(CC)cc2)cc1,RJMXFAXRKPVJGH-UHFFFAOYSA-N
rxn:4:213451:226512,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccncc5OCC5CCO5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,XLPCULMDTAVQPJ-UHFFFAOYSA-N
rxn:4:213473:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CSc4nc5sc6c(c5c(=O)n4-c4ccccc4C)CCN(C(C)=O)C6)cc3)c(F)c2)CC1,CHJDIKMHECLZJN-OZIXAUCHSA-N
rxn:4:213475:223600,COc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(Cl)cc23)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,RLXFERPYTYBQKX-IQRUICDZSA-N
rxn:4:214388:225788,CCc1nnc(-c2cccc(-c3cc4c(cc3OC)c(C(=O)N3CCc5[nH]c6ccc(OC)cc6c5C3)c(C)n4C)c2)o1,QNCIBJVDHDCFLS-UHFFFAOYSA-N
rxn:4:215310:223474,CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)C2c2ccc(-c3ccc(OCc4ccccc4)c(C45CC6CC(CC(C6)C4)C5)c3)cc2)c2ccccc21,CQSIYNZDRCUWSZ-UHFFFAOYSA-N
rxn:4:215310:223835,CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)C2c2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)cc2)c2ccccc21,UTYZCRKSVAKPMH-UHFFFAOYSA-N
rxn:4:218785:223483,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cc1-2,SCVCGZPIRFZABE-UHFFFAOYSA-N
rxn:4:218785:223538,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccnc4c3cc(C(F)F)n4S(=O)(=O)c3ccccc3)cc1-2,FZUIZGZJRRJCSL-UHFFFAOYSA-N
rxn:4:218785:223657,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cn(S(=O)(=O)c4ccc(C)cc4)c4ccncc34)cc1-2,DHWJNLKLSLEYTG-UHFFFAOYSA-N
rxn:4:218785:223840,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc(OC)c(S(=O)(=O)N4CCN(C)CC4)c3)cc1-2,TWUAWNHXKXQDDF-UHFFFAOYSA-N
rxn:4:218785:223953,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(F)cc(N4CCN(CCOC)CC4)c3)cc1-2,YWMMMZZSIVMAFU-UHFFFAOYSA-N
rxn:4:218785:224988,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc(C4CC4)cc3-n3ccnc3)cc1-2,FHYPXCLSNKZXOJ-UHFFFAOYSA-N
rxn:4:219572:222423,CCOC(=O)c1nc2c(C#N)cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cn2n1,NOKLHMOHONWGIC-UHFFFAOYSA-N
rxn:4:221262:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(Cn3c(=O)c4c(nc5n(CCOC)c(C)cn45)n(C)c3=O)cc2)CC1,SDRUVDAQWRUXAK-UHFFFAOYSA-N
rxn:4:221274:222466,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1,OCBBRDUJMSNNHK-UHFFFAOYSA-N
rxn:4:221762:222542,Cc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n(C(C)C)c(C)c(C)n45)n(C)c3=O)cc2)cc1OCCCN1CCNCC1,AQOJCGZJPLULMH-UHFFFAOYSA-N
rxn:4:221776:222621,CC(C)Cc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)cc(C2CCCNC2)n1,IHIVNBQXFFJNQJ-UHFFFAOYSA-N
rxn:4:221781:222850,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4C#N)cc3)c(=O)n2C)c1C,LSHCBMPWESDKHU-UHFFFAOYSA-N
rxn:4:221782:222537,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c(C)c1,MPQYBIVDAKTSHI-UHFFFAOYSA-N
rxn:4:221782:222999,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(Cl)cc(C5CCCNC5)c4)cc3)c(=O)n2C)c(C)c1,INQKATGDHRXFFV-UHFFFAOYSA-N
rxn:4:221784:222628,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cc3)n(C)c2=O)c1,SYKTZMXOXASNOH-UHFFFAOYSA-N
rxn:4:221789:224665,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(F)cc4CN4CCN(C)CC4)cc3)n(C)c2=O)cc1,XNIXTHWDXLUSIF-UHFFFAOYSA-N
rxn:4:221793:222702,CC1CN(c2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1,NLNLRXRFQWBPLN-UHFFFAOYSA-N
rxn:4:221986:223667,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(OC(F)(F)F)cc3OCc3ccccc3)cc2)CC1,QLFAGVAFASEWQG-UHFFFAOYSA-N
rxn:4:221995:223057,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(Cl)nc(C6CCCNC6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,OQRSVBLTJGMHNG-UHFFFAOYSA-N
rxn:4:221995:224202,Cc1cc(Cl)c(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)cc1OCc1cccnc1,VMFWHEQMIHZXOQ-UHFFFAOYSA-N
rxn:4:222363:224350,Cc1cc(CN2CCN(c3c(-c4cnc(C5CCCCC5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZQXGPPIFBMZVKC-UHFFFAOYSA-N
rxn:4:222363:224656,COc1ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c(F)c1OC1CCCC1,HVEIFJBPHJNOLR-UHFFFAOYSA-N
rxn:4:222363:225079,Cc1cc(CN2CCN(c3c(-c4ccc5cc(OC(F)F)ccc5c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NIQNASHLHOYKKU-UHFFFAOYSA-N
rxn:4:199983:222389,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc32)SC1=S,OYVHKBSKTRUHEY-UHFFFAOYSA-N
rxn:4:201189:222615,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cc(CC(C)C)cc(C3CCNCC3)c2)cc1,LALPAWJVWAQXJL-UHFFFAOYSA-N
rxn:4:202445:222423,COC(=O)c1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1Oc1cnc2[nH]ccc2c1,JBXWAZZVEBMRPJ-UHFFFAOYSA-N
rxn:4:202810:222389,COc1ccc(OC)c(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,PTUYJUMUHVCHSS-UHFFFAOYSA-N
rxn:4:212734:223588,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)c2)SC1=S,QAQQXHLRQLIPDS-UHFFFAOYSA-N
rxn:4:212846:223905,COc1cc(-c2ccc(CSc3nc4sc5c(c4c(=O)n3Cc3ccco3)CCN(C(C)=O)C5)cc2)cc(Cl)c1OCc1ccccc1,ALEIBVRUIVSBEX-UHFFFAOYSA-N
rxn:4:214362:223897,CCn1cc(-c2nc(-c3ccc(-c4ccc(C)c(OCCCN5CCOCC5)c4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,GWNSDPPLEYBCRU-UHFFFAOYSA-N
rxn:4:215788:222423,COc1c(-c2cnc(N3CCCCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZSBCFIWDFVOURR-UHFFFAOYSA-N
rxn:4:218747:222486,CCCCc1nc(SCc2ccc(-c3cncc(-c4cncc(C5CCCCN5)c4)c3)cc2)c2c(=O)n(C)c(=O)n(C)c2n1,WMZZIEKUIYMEDF-UHFFFAOYSA-N
rxn:4:218764:223960,CCN1CCN(C(=O)c2cc(-c3nc4c(c(=O)n(CCCc5ccccc5)c(=O)n4C)n3Cc3ccccc3Cl)ccc2F)CC1,RBHYAOGVUDAPCY-UHFFFAOYSA-N
rxn:4:218785:222602,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(CC(C)C)sc3S(=O)(=O)NC(C)(C)C)cc1-2,WNBAXMCQXAMAIU-UHFFFAOYSA-N
rxn:4:218785:224580,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(-n4ccnc4C)ccc3C3CC3)cc1-2,XQBYNRMTJJNGKN-UHFFFAOYSA-N
rxn:4:218785:224979,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc(-n4ccnc4)cc3C3CC3)cc1-2,CMHIEYMNIHFDPO-UHFFFAOYSA-N
rxn:4:219179:222524,COc1ccc(-c2nc(SCc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1,HFIPWXMDVBXFSJ-UHFFFAOYSA-N
rxn:4:221252:222488,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(NC(=O)OCc3ccccc3)cnc2C)cc1,ZBVRWUNIXKKZJI-UHFFFAOYSA-N
rxn:4:221263:224264,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)c(-c4cccc(Cl)c4)cc3OC)cc2)n(C)c1=O,VMBXQJTXHGWJLL-UHFFFAOYSA-N
rxn:4:221270:222729,CCCc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCOCC)c(=O)n3C)cc2)cc(C2CCCNC2)n1,PMQQKLPLNNWJDN-UHFFFAOYSA-N
rxn:4:221275:222828,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)NC3CC3)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,JENJABCGLQWVCF-UHFFFAOYSA-N
rxn:4:221571:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CC=Cc4ccccc4)c(=O)n3C)cc2)CC1,RIKYXSOZPGOLTJ-UHFFFAOYSA-N
rxn:4:221574:222850,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4C#N)cc3)c(=O)n2C)cc1,UXMCUPDHNXEWGW-UHFFFAOYSA-N
rxn:4:221743:224664,COc1ccc(-n2ccc3c(nnc4c(-c5ccc(-c6cc(F)cc(CN7CCN(C)CC7)c6)cc5)c(C)nn43)c2=O)cc1,HUEXJHUVXMIWBE-UHFFFAOYSA-N
rxn:4:221766:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(C)cc3)n(C)c2=O)cc1,SWCOOJNIYRBEKZ-UHFFFAOYSA-N
rxn:4:221771:224687,CC1CN(c2ccccc2)c2nc3c(c(=O)n(Cc4ccc(-c5cc(F)cc(CN6CCC(=O)CC6)c5)cc4)c(=O)n3C)n2C1,KWXOPXBKCMAGIB-UHFFFAOYSA-N
rxn:4:221778:222701,CC1CN(c2ccc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1,GELPHHIRUPHZNI-UHFFFAOYSA-N
rxn:4:221782:222729,CCCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)cc(C2CCCNC2)n1,GZGYMMYVARYTCL-UHFFFAOYSA-N
rxn:4:221783:223058,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c1,FVPCZPWBZLTCGU-UHFFFAOYSA-N
rxn:4:221787:222997,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(Cl)cc4C4CCCNC4)cc3)c(=O)n2C)c1,DYIUILVZTLEAIK-UHFFFAOYSA-N
rxn:4:221787:223133,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccccc4N4CCNCC4)cc3)c(=O)n2C)c1,SYEYIZIAFXVPTB-UHFFFAOYSA-N
rxn:4:221788:224016,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cn(S(=O)(=O)N(C)C)nc4-c4ccccn4)cc3)c(=O)n2C)cc1,WCRWMTFADCNWQZ-UHFFFAOYSA-N
rxn:4:221848:222524,Cc1nn2c(nnc3c(=O)n(-c4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCC(O)CC5)cc4)ccc32)c1-c1ccc(F)cc1,SMAKTFRJOQVXAR-UHFFFAOYSA-N
rxn:4:221929:223719,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(OCc6ccccc6)c6ccccc56)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,BEBRKXYYDRDYBJ-UHFFFAOYSA-N
rxn:4:221994:223924,COc1cccc(Cl)c1-c1cccc(OC)c1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,YFYFTYPPBNSOEC-UHFFFAOYSA-N
rxn:4:222353:222730,CCCc1cc(-c2ccc(-c3c(C)nn4c3ncc3c(=O)n(-c5nnc(CC)[nH]5)ccc34)cc2)cc(C2CCNCC2)n1,MPCAIAMIWQWJFK-UHFFFAOYSA-N
rxn:4:222362:224468,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(-c7ccsc7)cc(C(C)(C)C)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,OWMYHKNFELUEHM-UHFFFAOYSA-N
rxn:4:222362:227356,CCOc1cc(F)c(C)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,LNSJFXAGUNGANZ-UHFFFAOYSA-N
rxn:4:222363:224652,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZWUVHAGGAJTSGE-UHFFFAOYSA-N
rxn:4:199983:225590,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4ccc(CN5CCCC5)c(F)c4)cc32)SC1=S,GZAFIRGZTXLWJO-UHFFFAOYSA-N
rxn:4:201188:222537,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1cccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)c1,XSAJVCWNRGSFTP-UHFFFAOYSA-N
rxn:4:204943:222423,COc1cccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,LIOXVLIWQMRSJL-UHFFFAOYSA-N
rxn:4:213068:222423,COc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1,WGPOQKROLFTDTH-UHFFFAOYSA-N
rxn:4:213116:222423,COc1c(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LCUUFQNIJPDEAX-UHFFFAOYSA-N
rxn:4:213405:222890,COc1cc(-c2ccc(-n3c(C)cc(C(=O)CSc4ncnc5sc(C)c(C)c45)c3C)cc2)cc(C2CCCNC2)n1,KPDRBOGLMRTXDO-UHFFFAOYSA-N
rxn:4:213412:222423,COc1c(-c2ccc3c(C(=O)N4CCC(S(=O)(=O)CC(C)C)CC4)n(C)nc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XDOXWFAPLJURQS-UHFFFAOYSA-N
rxn:4:213448:223542,COc1ccc(C2CC(c3c(C)nc4ccc(-c5ccc(OC(F)(F)F)c(S(=O)(=O)N6CCN(C)CC6)c5)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,ZPWPPDRKAXHDBD-UHFFFAOYSA-N
rxn:4:213475:222448,COc1cc(-c2cc(C(=O)NCc3ccccc3)cc([N+](=O)[O-])c2)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,NCDYFNJDVZPZBX-IQRUICDZSA-N
rxn:4:213475:223587,COc1cc(COc2ccc(F)c(-c3ccc([C@@H]4c5ccc6c(cnn6C6CCCCCO6)c5C[C@@H](C)N4CC(F)(F)F)c(OC)c3)c2F)cc(OC)c1,HPLCHLVIFKCGAD-SDFZYSMNSA-N
rxn:4:214362:223187,CCn1cc(-c2nc(-c3ccc(-c4cccc(S(=O)(=O)NOC)c4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,VDEFPKRFTLDFLN-UHFFFAOYSA-N
rxn:4:215225:223570,COc1ccccc1N=c1oc2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2cc1-c1nc2ccccc2[nH]1,RRUOHGMXJWHQKC-UHFFFAOYSA-N
rxn:4:218779:222423,CCCCn1c(=O)c2sccc2n2c(SCc3cccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)c3)nnc12,ONEDTLUZJKRBMB-UHFFFAOYSA-N
rxn:4:218785:224739,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cnc(Cl)nc3OCc3ccccc3)cc1-2,FXMQYUMYANNUMI-UHFFFAOYSA-N
rxn:4:219709:223694,CCN1CCN(S(=O)(=O)c2cc(-c3nc4c(c(=O)n(Cc5cccc6ccccc56)c(=O)n4C)n3CC(C)=O)c(F)cc2C)CC1,VRFNUDGHPFZQRD-UHFFFAOYSA-N
rxn:4:221252:223924,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2c(OC)cccc2-c2c(Cl)cccc2OC)cc1,CTPYWSIYISVLJT-UHFFFAOYSA-N
rxn:4:221272:222997,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(Cl)cc3C3CCCNC3)cc2)n(C)c1=O,CBKMWZONVRZRQQ-UHFFFAOYSA-N
rxn:4:221277:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6c5ccc(Oc6ccccc6)cc5)n(C)c4=O)cc3)c2)CC1,QVOYZAPIMZSDEB-UHFFFAOYSA-N
rxn:4:221571:222700,Cn1c(=O)n(CC=Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)cc1,BRWUINKJYNCDPB-UHFFFAOYSA-N
rxn:4:221572:224665,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(F)cc3CN3CCN(C)CC3)cc2)n(C)c1=O,KFGFUSCRYQWULY-UHFFFAOYSA-N
rxn:4:221574:225930,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C)ccc4S(=O)(=O)N(C)C)cc3)c(=O)n2C)cc1,GBQDBELQWPBDRB-UHFFFAOYSA-N
rxn:4:221772:222700,CC1CN(c2ccc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)cc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1,NVUWVTNHRRWFBG-UHFFFAOYSA-N
rxn:4:221776:222958,Cc1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)cc1C1CCNCC1,XVXANNTZFGYDMI-UHFFFAOYSA-N
rxn:4:221782:222389,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c(C)c1,ZXWBGWHEJPSZEU-UHFFFAOYSA-N
rxn:4:221786:222999,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(Cl)cc(C5CCCNC5)c4)cc3)c(=O)n2C)cc1C,GGSCWGTVCSIKGQ-UHFFFAOYSA-N
rxn:4:221788:224753,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCCC5)ccc4C)cc3)c(=O)n2C)cc1,DKXLTUIFEMYUIW-UHFFFAOYSA-N
rxn:4:221988:225048,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(N5CCN(C)CC5)cc4C)ccc3OC)nnc12,RAHBSBIVFZKOHH-UHFFFAOYSA-N
rxn:4:221994:223879,CCCc1ccc(-c2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)cn56)n(C)c4=O)cc3)c(F)c2F)cc1,RAZFHEKVOKGYFO-UHFFFAOYSA-N
rxn:4:222250:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCCn5ccnc5)c(C)cn34)n(C)c2=O)cc1,XQAQJYTWXWTXPM-UHFFFAOYSA-N
rxn:4:222362:222480,Cc1cccc(NC(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2F)c1C,RQUZMDMPUWAQKT-UHFFFAOYSA-N
rxn:4:222362:223514,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)cc1,APWASSXLOXSUSI-UHFFFAOYSA-N
rxn:4:222362:223750,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc7cccnc7c6O[Si](C)(C)C(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,BTWFAFWQCIFHGQ-UHFFFAOYSA-N
rxn:4:222363:222712,Cc1cc(CN2CCN(c3c(-c4ccc(NC(=O)OC(C)(C)C)c(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SIKDYVPRRCSAPO-UHFFFAOYSA-N
rxn:4:222363:224133,Cc1ccc(OCc2ccc(F)cc2)c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1,HKOUUPJSKDZVQV-UHFFFAOYSA-N
rxn:4:222363:225240,Cc1cc(CN2CCN(c3c(-c4ccnc(-c5cc(F)cc(F)c5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PSEITSFGDIDXRK-UHFFFAOYSA-N
rxn:4:222363:225310,Cc1cc(CN2CCN(c3c(-c4cc(C(F)(F)F)c(Cl)cc4C4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AUIGYVBGRNYIIC-UHFFFAOYSA-N
rxn:4:187385:222423,COc1cc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc(OC)c1CN1CCC(F)(F)CC1,HZYJZZFCSPEZCU-UHFFFAOYSA-N
rxn:4:187694:222423,COc1c(-c2cc(F)cc(-c3c(S(C)(=O)=O)c(C)n(C(C)C)c3-c3ccc(Cl)cc3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LZEUABOZQFYAKL-UHFFFAOYSA-N
rxn:4:199983:228335,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4c(OC)ccnc4OC)cc32)SC1=S,XHPIFBAUIDIMQU-UHFFFAOYSA-N
rxn:4:199989:222488,CCOC(=O)c1c(CN2CCOCC2)n(C)c2cc(-c3cc(NC(=O)OCc4ccccc4)cnc3C)c(OC)cc12,UZCYPWGXWMWTIS-UHFFFAOYSA-N
rxn:4:201019:222465,CC(C)(C)OC(=O)c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1Oc1cnc2[nH]ccc2c1,QNGVRIHCWJVNHV-UHFFFAOYSA-N
rxn:4:202353:222537,COc1ccc(C=C2SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,NFWGQWMDRVGANT-UHFFFAOYSA-N
rxn:4:204937:222423,COc1c(-c2cccc(C3c4c(oc5cc(C)c(Cl)cc5c4=O)C(=O)N3Cc3cccnc3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IEMWTRQVEAIXPU-UHFFFAOYSA-N
rxn:4:204943:223522,COc1cccc(C2c3c(oc4ccc(-c5cc(F)cc(N6CCC(O[Si](C)(C)C(C)(C)C)CC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,FOMUEVOZBBROQF-UHFFFAOYSA-N
rxn:4:207613:223200,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C5CCNC5)cc4)cc3)nc2c1,ZXLSXDUSIWULOC-UHFFFAOYSA-N
rxn:4:212745:223707,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2)CCN1C(=O)OC(C)(C)C,OSAGVCLRYVPXAE-UHFFFAOYSA-N
rxn:4:212748:223728,CCCCCC1CCC(c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2)CC1,DNFSRZIOWFFVSD-UHFFFAOYSA-N
rxn:4:212839:224882,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(CN5CCCCCC5)cc4)ccn23)CC1,WPNUDFXPXFRNLO-UHFFFAOYSA-N
rxn:4:218785:223780,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cccc4c3ccn4S(=O)(=O)c3ccccc3)cc1-2,ABXPDKAVIACIRM-UHFFFAOYSA-N
rxn:4:219105:222389,O=c1c2nnc(SCc3cccc(C(F)(F)F)c3)n2ccn1-c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,ZKNVQSSEMYEDLV-UHFFFAOYSA-N
rxn:4:219780:222846,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(C6CCCNC6)ccc5C#N)c(C(F)F)cc43)nn2C2CCOCC2)C1,QSTXXFFVLTXCKX-UHFFFAOYSA-N
rxn:4:221107:222423,COc1c(-c2cnc(OCC3CCCN(C(=O)Cn4cnc(C)c(C)c4=O)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DRSBIHCFPMELOI-UHFFFAOYSA-N
rxn:4:221535:222465,Cn1c(=O)c2c(nc(CN3CCOCC3)n2Cc2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2)n(C)c1=O,YBDPFZRLEMFWGD-UHFFFAOYSA-N
rxn:4:221561:222423,CCC(C)n1c(C)cn2c3c(=O)n(Cc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4)c(=O)n(C)c3nc12,DPBOSKKQHJFTEQ-UHFFFAOYSA-N
rxn:4:221565:223570,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)c(=O)n(C)c3nc2n1Cc1ccco1,BDPNVLDHOHIBRB-UHFFFAOYSA-N
rxn:4:221567:224664,CN1CCN(Cc2cc(F)cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCc5ccccc5)c(=O)n4C)cc3)c2)CC1,DRLMFFKEVLNKMF-UHFFFAOYSA-N
rxn:4:221571:225171,Cn1c(=O)n(CC=Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)cc(CN3CCOCC3)c2)cc1,ACHUNJWAAVSTID-UHFFFAOYSA-N
rxn:4:221572:222389,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)n(C)c1=O,RMTCCHHOKTUVDW-UHFFFAOYSA-N
rxn:4:221743:224667,COc1ccc(-n2ccc3c(nnc4c(-c5ccc(-c6ccc(Cl)c(CN7CCN(C)CC7)c6)cc5)c(C)nn43)c2=O)cc1,HSMCKGDKGYLWKV-UHFFFAOYSA-N
rxn:4:221766:222706,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4C(F)(F)F)cc3)c(=O)n2C)cc1,UXGVYHKTZBXJCW-UHFFFAOYSA-N
rxn:4:221778:222700,CC1CN(c2ccc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)cc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1,IZYOAFNQZCIZLX-UHFFFAOYSA-N
rxn:4:221790:223133,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccccc3N3CCNCC3)cc2)n(C)c1=O,CDNFPTFECYFVHN-UHFFFAOYSA-N
rxn:4:221988:223527,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)ccc3OC)nnc12,WKWPLOWVFWTPAN-UHFFFAOYSA-N
rxn:4:221995:225320,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(N6CCOCC6)c(F)c5F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,LDTCGQWFYODRLE-UHFFFAOYSA-N
rxn:4:222138:223924,COc1cccc(Cl)c1-c1cccc(OC)c1-c1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1,YYSBUGMQDSGGDB-UHFFFAOYSA-N
rxn:4:222362:222706,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C7CCNCC7)ccc6C(F)(F)F)cc6[nH]ncc56)nn4)cn3c2)CC1,HGNGRACVGBMXHT-UHFFFAOYSA-N
rxn:4:222362:226554,CCCOc1cc(F)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1F,UDDYCAODPDZEMN-UHFFFAOYSA-N
rxn:4:222363:224230,Cc1cc(CN2CCN(c3c(-c4cc(Cl)c(F)c(OCc5ccccc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RHKZWHKTCNNEBO-UHFFFAOYSA-N
rxn:4:222363:225248,Cc1cc(CN2CCN(c3c(-c4cnc(Cl)c(-c5ccccc5F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YTSLTUCHJMJUKN-UHFFFAOYSA-N
rxn:4:222363:225509,Cc1cc(CN2CCN(c3c(-c4ccc5c(C6CC6)nn(C)c5c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,FUCXVRIJJGVMEO-UHFFFAOYSA-N
rxn:4:222363:228416,COc1cc(F)cc(F)c1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,NCJWGXYSUJBIMI-UHFFFAOYSA-N
rxn:4:184242:222466,CC(C)OCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1,STZVZDZGVRUXIR-UHFFFAOYSA-N
rxn:4:194792:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccc(Cl)cc6)C(=O)C45)cc3)cnc21,RRFZIYMQVAMFJR-UHFFFAOYSA-N
rxn:4:199992:222462,CCOc1cc(N2C(=NC(C)=O)SC3CS(=O)(=O)CC32)cc(-c2c(F)cc3nc(NC(=O)OC(C)(C)C)sc3c2F)c1OCC,HENRJFIHEPUIPF-UHFFFAOYSA-N
rxn:4:201057:222630,CCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc32)SC1=S,WOGQPKONAFVJFX-UHFFFAOYSA-N
rxn:4:212741:222459,CC1CN(Cc2ccc(-c3cc(C(=O)Nc4ccc([N+](=O)[O-])cc4)ccc3F)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,IFCNEJXMQXFIFR-UHFFFAOYSA-N
rxn:4:212747:223722,CC(C)CCOc1ccc(-c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4C)c(N4CCOCC4)c3)cc2)cc1,IVYHABPMVVGHIF-UHFFFAOYSA-N
rxn:4:212839:224881,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(CN5CCCCCC5)c4)ccn23)CC1,UVSIAGNWDUBLPY-UHFFFAOYSA-N
rxn:4:213451:223699,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(S(=O)(=O)N6CCOCC6)cc5C(F)(F)F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,GZWGEQDGOJUIHO-UHFFFAOYSA-N
rxn:4:213474:222549,Cc1cc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc([C@@H]5CC6(CC6)CN5C(=O)OC(C)(C)C)[nH]4)ccc2-3)cnc1NCC(=O)c1ccccc1,TVPJRHFBAIMIPJ-UMSFTDKQSA-N
rxn:4:214388:223811,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(CN5CCC6(CC5)OCCO6)c(Cl)c4)c(OC)cc12)CC3,FPKTWEMMNSKDND-UHFFFAOYSA-N
rxn:4:214388:225274,COCCOc1c(F)cc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c(C)c1F,JTRQWMDOWRQAIH-UHFFFAOYSA-N
rxn:4:218590:222423,COc1c(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccccc4C#N)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GLIOVNATEMGPBW-UHFFFAOYSA-N
rxn:4:218785:223519,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cccc(-c4nc5ccccc5n4-c4ccccc4)c3)cc1-2,SSZLMLFJIHSNHN-UHFFFAOYSA-N
rxn:4:218785:224721,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3c(C)nn(CC(=O)OC(C)(C)C)c3C)cc1-2,XQNIPTZAZSEMBM-UHFFFAOYSA-N
rxn:4:219189:222523,COc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,MFIMAVQWOQZOSD-UHFFFAOYSA-N
rxn:4:221201:222986,Cc1cc(-c2ccc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)[C@H](C)C3)cc2)cc(C2CCCNC2)n1,IJRSHOQROHGBQN-UFUCKMQHSA-N
rxn:4:221252:222563,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cccc(C(=O)NCc3cccc(F)c3)c2)cc1,JSUZPBWIOXOLHF-UHFFFAOYSA-N
rxn:4:221539:222587,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(NCc4ccccc4)cc([N+](=O)[O-])c3)cc2)CC(C)O1,UZMCLVHJRIVSPI-UHFFFAOYSA-N
rxn:4:221572:223691,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(OCc4cccnc4)c(C(F)(F)F)cc3Cl)cc2)n(C)c1=O,BLWZDOZWXWZQNS-UHFFFAOYSA-N
rxn:4:221758:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)cc1,WWDZDENXUIPKJT-UHFFFAOYSA-N
rxn:4:221760:224664,CN1CCN(Cc2cc(F)cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5ccccc5F)c(=O)n4C)cc3)c2)CC1,XLBHLSWWLKMAEN-UHFFFAOYSA-N
rxn:4:221781:226131,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccccc4CN4CCCC4)cc3)c(=O)n2C)c1C,XIXRPZCSDKAHHG-UHFFFAOYSA-N
rxn:4:221782:222848,CCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)cc(C2CCCNC2)n1,DCQFLWRTKXIALL-UHFFFAOYSA-N
rxn:4:221784:222730,CCCc1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4cc(C)ccc4C)c(=O)n3C)cc2)cc(C2CCNCC2)n1,CTPOLDORDMRPTD-UHFFFAOYSA-N
rxn:4:221788:222725,CCNS(=O)(=O)c1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CC(C)CN5c4ccc(C)cc4)n(C)c3=O)cc2)c(C(F)(F)F)c1,VJTYAQCANVTKKZ-UHFFFAOYSA-N
rxn:4:221928:224146,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4c(C)cc(O[Si](C)(C)C(C)(C)C)cc4C)ccc3OC)nnc12,PONXUHWVZNBHPL-UHFFFAOYSA-N
rxn:4:221994:222602,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(CC(C)C)sc5S(=O)(=O)NC(C)(C)C)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,PPLXZOOXCQVUNJ-UHFFFAOYSA-N
rxn:4:221994:223578,Cc1cn2c3c(=O)n(Cc4ccc(-c5cnc(N6CCCCC6)nc5OCc5ccccc5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,WGRFBDLSBJLEPW-UHFFFAOYSA-N
rxn:4:221995:222648,Cc1cc(C)c(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)cc1NC(=O)OC(C)(C)C,GIAXDRSRNXKNOH-UHFFFAOYSA-N
rxn:4:221995:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)CC1,ZRXQISYYBLQQTF-UHFFFAOYSA-N
rxn:4:222135:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OC)c(-c2nnc3n(Cc4ccccc4)c4c(=O)n(C)c(=O)n(C)c4n23)c1,HZEZUQAYFUTMKS-UHFFFAOYSA-N
rxn:4:222272:223578,Cc1ccc(Cn2nnc3c(=O)n(Cc4nc(-c5ccc(F)c(-c6cnc(N7CCCCC7)nc6OCc6ccccc6)c5)no4)cnc32)cc1,MSTXQMCFJVALBD-UHFFFAOYSA-N
rxn:4:222362:227568,COc1cc(F)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(OC)c1,MOCFRFBTJKCPLV-UHFFFAOYSA-N
rxn:4:222363:224304,Cc1cc(CN2CCN(c3c(-c4c(F)ccc(O[Si](C)(C)C(C)(C)C)c4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PRKKLARHSVYEDV-UHFFFAOYSA-N
rxn:4:184240:222389,CC(C)OCCCN1C(=O)c2oc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3c(=O)c2C1c1ccccc1F,NVYLSCGWNINPIH-UHFFFAOYSA-N
rxn:4:185387:222423,COc1c(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IVDUXSRTBVCBGD-UHFFFAOYSA-N
rxn:4:191043:222423,COc1c(-c2ccc3c(c2)CN([C@H]2CC[C@H](C(=O)OC)CC2)C3=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JLVCSKOVQOCWRH-JKIUYZKVSA-N
rxn:4:200325:222423,CCOc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1S(=O)(=O)n1ccnc1CC,JSKKNVNVTMZHFO-UHFFFAOYSA-N
rxn:4:202708:229111,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3cnc(Cl)cc3C)ccc21,KMOYAVSOLKSDAY-UHFFFAOYSA-N
rxn:4:204937:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(C4c5c(oc6cc(C)c(Cl)cc6c5=O)C(=O)N4Cc4cccnc4)c3)c3ccccc23)CC1,UTAXPANAUAUSDQ-UHFFFAOYSA-N
rxn:4:207826:222423,COc1c(-c2ccc(N3C(=O)N(c4ccccc4Cl)C4CS(=O)(=O)CC43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IZLMGISISSXWPJ-UHFFFAOYSA-N
rxn:4:212741:222503,CC1CN(Cc2ccc(-c3cc(F)cc(C(=O)NCc4ccc(F)cc4)c3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,BQLGALQIBVLHAT-UHFFFAOYSA-N
rxn:4:212846:222740,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(C(C)C)nc(C6CCCNC6)c5)cc4)n(Cc4ccco4)c(=O)c23)C1,ZGRBRISEHMHHBD-UHFFFAOYSA-N
rxn:4:213445:223534,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(OC7CCN(C(=O)OC(C)(C)C)CC7)ncc6F)c(OC)ccc5c4)nc23)cc1OC,XEMICZPYBVSKRG-UHFFFAOYSA-N
rxn:4:213480:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(C(=O)OC[C@H]2CN(C)[C@@H]3Cc4c[nH]c5cccc(c45)[C@@]3(OC)C2)c1,BHUNJHNECSCHDP-QPYSNBRXSA-N
rxn:4:214386:222628,COc1cc(OC)c2cc(C(=O)N3CCc4[nH]c5c(-c6cc(C7CCC7)nc(C7CCCNC7)c6)cccc5c4C3)n(C)c2c1,SADGLQBGADJQMW-UHFFFAOYSA-N
rxn:4:214388:222913,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(CNS(=O)(=O)C5CC5)cc4)c(OC)cc12)CC3,BZQBYRGEWBDUAW-UHFFFAOYSA-N
rxn:4:214388:225132,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(-n5ccnc5C)cc4C#N)c(OC)cc12)CC3,XHROXEPWMLMWQO-UHFFFAOYSA-N
rxn:4:214388:227470,CCCOc1ncc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c(C)n1,HPALWNGJEWZHOC-UHFFFAOYSA-N
rxn:4:215310:223601,COc1ccc(COc2ncc(-c3ccc(C4C5=C(OC(C)=O)c6ccccc6C5=Nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2C(F)(F)F)cc1,QSZHGXRMKSQNIH-UHFFFAOYSA-N
rxn:4:218723:222423,COc1c(-c2ccc3nc(N(Cc4cccnc4)C(=O)c4ccc([N+](=O)[O-])cc4)sc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VRBHURILNLVDOL-UHFFFAOYSA-N
rxn:4:218785:223890,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc4ncn(Cc5ccccc5)c4cc3F)cc1-2,KLZYQZCGYCVGDK-UHFFFAOYSA-N
rxn:4:221252:222494,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(NC(=O)OCc3ccccc3)cc2F)cc1,SXZLUTMIGKBHEU-UHFFFAOYSA-N
rxn:4:221252:222509,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(F)cc(C(=O)Nc3cc(Cl)ccc3C)c2)cc1,RFNDCDYOWOPZFV-UHFFFAOYSA-N
rxn:4:221535:222423,COc1c(-c2ccc(Cn3c(CN4CCOCC4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RCFYTHWTBGYHMC-UHFFFAOYSA-N
rxn:4:221568:222890,COc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5Cc4ccccc4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,YRONMHXUQAGKJN-UHFFFAOYSA-N
rxn:4:221758:223692,Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(OCc3cccnc3)c(Cl)cc2C(F)(F)F)cc1,YCYDDDFCOBGDCI-UHFFFAOYSA-N
rxn:4:221762:222423,COc1c(-c2ccc(Cn3c(=O)c4c(nc5n(C(C)C)c(C)c(C)n45)n(C)c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,TXNBTBSYQHHFHP-UHFFFAOYSA-N
rxn:4:221776:222957,Cc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)cc(C2CCCNC2)c1,VPQUPPFTIYMMCO-UHFFFAOYSA-N
rxn:4:221776:223001,CC1CN(c2ccc(-c3cc(C4CCCNC4)ccc3F)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,DQHLDWWSZSWHSO-UHFFFAOYSA-N
rxn:4:221782:222621,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(CC(C)C)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c(C)c1,DOADVQHCEUQBCJ-UHFFFAOYSA-N
rxn:4:221784:223001,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)n(C)c2=O)c1,KJMBCDXMYSIOAN-UHFFFAOYSA-N
rxn:4:221990:222538,COc1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,JWIPQCFJBYDNDZ-UHFFFAOYSA-N
rxn:4:221994:223976,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(OC6CCCC6)cc(OC(F)(F)F)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,JOTIWRJGVKRVKB-UHFFFAOYSA-N
rxn:4:222137:224736,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(C(F)(F)F)cc2OCC(C)C)cc1,IMGUBGBJYYBHAS-UHFFFAOYSA-N
rxn:4:222362:223178,CONC(=O)c1ccc(F)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,YPAGDPNDLMXABP-UHFFFAOYSA-N
rxn:4:222362:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,MESQUKLKFYEXMR-UHFFFAOYSA-N
rxn:4:222363:226031,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)cc4C(F)F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PAYZONQFOSAOKO-UHFFFAOYSA-N
rxn:4:222363:227781,Cc1cc(CN2CCN(c3c(-c4cnc(Cl)cc4C(F)(F)F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IXFRUKZYGRPNIZ-UHFFFAOYSA-N
rxn:4:222387:223641,CCc1cc2c(cc1F)cc(-c1cnc(N3CCOC(Cn4nnc5ncc(-c6cnn(C)c6)nc54)C3)nc1)n2C(=O)OC(C)(C)C,UMONPLPSIBIOJL-UHFFFAOYSA-N
rxn:4:191205:222423,COc1c(-c2ccc3c(c2)C2c4sc(=O)n(Cc5ccccc5)c4SC(c4ccccc4)C2C(=O)O3)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JMMPZWUWTBTQPL-UHFFFAOYSA-N
rxn:4:201190:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(C4c5c(oc6ccc(C)cc6c5=O)C(=O)N4CCCN4CCOCC4)c3)c3ccccc23)CC1,MXUKYTXUMFVEHW-UHFFFAOYSA-N
rxn:4:204772:227283,CCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3cc(C#N)nc(C4CC4)c3)ccc21,GVWRGUXXEXPADX-UHFFFAOYSA-N
rxn:4:204936:222423,COc1c(-c2ccc(C3c4c(oc5cc(C)c(Cl)cc5c4=O)C(=O)N3Cc3cccnc3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,PLRVJPVMFPNEBM-UHFFFAOYSA-N
rxn:4:206053:222423,COc1c(-c2cc(C#N)c(Cl)nc2C(C)(C)C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,PGINXCVYJIQESH-UHFFFAOYSA-N
rxn:4:212741:222452,CC1CN(Cc2ccc(-c3cc(F)c(F)c(NC(=O)OCc4ccccc4)c3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,FNWNTVUVUCBWGA-UHFFFAOYSA-N
rxn:4:212741:222458,CC1CN(Cc2ccc(-c3cc(C(=O)Nc4cccc([N+](=O)[O-])c4)ccc3F)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,DCJFQYCAESKTRG-UHFFFAOYSA-N
rxn:4:212742:222438,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)ccc2Cl)cc1N1CCCC1,ZADSLYGJOKDXAU-UHFFFAOYSA-N
rxn:4:212745:223785,CCN1CCN(CCOc2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2Cl)CC1,DZUZGJSIAZVSNM-UHFFFAOYSA-N
rxn:4:212790:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc4c(c3)sc(=NC(=O)c3cc5cc([N+](=O)[O-])ccc5s3)n4CCOC)c2)CC1,JLIBXZBGKNVICL-UHFFFAOYSA-N
rxn:4:213315:222538,C#CCn1c(=NC(=O)c2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)s2)sc2cc(S(N)(=O)=O)ccc21,QSRLFGVEHDBKJX-UHFFFAOYSA-N
rxn:4:214388:222700,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C(F)(F)F)cc4C4CCCNC4)c(OC)cc12)CC3,YENPIZDMBHXDSO-UHFFFAOYSA-N
rxn:4:214388:223025,CCCNC(=O)c1cc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)ccc1Cl,DSJNZNJXJUCZMV-UHFFFAOYSA-N
rxn:4:215088:222423,COc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1S(=O)(=O)n1nnc2cc(C)ccc21,WLAUGWTVYVCHCZ-UHFFFAOYSA-N
rxn:4:218785:223944,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3c(C)c(Cl)cc4c3cnn4C3CCCCO3)cc1-2,ARWIEYMCGNPQGZ-UHFFFAOYSA-N
rxn:4:221252:222440,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(S(=O)(=O)NCc3ccco3)cc2C(F)(F)F)cc1,JREFCMXZZCVHFN-UHFFFAOYSA-N
rxn:4:221252:222631,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C3CCNCC3)nc(C(C)(C)C)c2)cc1,JAZQLLJCBHHMBQ-UHFFFAOYSA-N
rxn:4:221252:223603,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(OCc3cccnc3)c(OC(F)(F)F)cc2Cl)cc1,SXWKMDGGUISYDX-UHFFFAOYSA-N
rxn:4:221252:223663,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(OCc3ccccc3)cc(OC(F)(F)F)c2)cc1,RSLSMBWAROLFAW-UHFFFAOYSA-N
rxn:4:221263:222461,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3c(F)cc(F)c4sc(NC(=O)OC(C)(C)C)nc34)cc2)n(C)c1=O,YITCFVUNJPMZON-UHFFFAOYSA-N
rxn:4:221571:225172,Cn1c(=O)n(CC=Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(CN3CCOCC3)ccc2F)cc1,RVXKMYGUIZKYKR-UHFFFAOYSA-N
rxn:4:221574:222741,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)cc1,KAQMWOBVLSBNMZ-UHFFFAOYSA-N
rxn:4:221575:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CC(C)Cn5c4nc4c5c(=O)n(CCc5ccccc5)c(=O)n4C)cc3)c(F)cc2C)CC1,OPYMYCPTIVVDJV-UHFFFAOYSA-N
rxn:4:221747:225364,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n4CCN5c4ccc(F)cc4)n(C)c3=O)cc2)cc1S(=O)(=O)N(C)C,IHBUFLJDVZTMFO-UHFFFAOYSA-N
rxn:4:221750:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CC(C)Cn5c4nc4c5c(=O)n(CC(C)=O)c(=O)n4C)cc3)c(F)cc2C)CC1,XYZCVOIJWVGDCX-UHFFFAOYSA-N
rxn:4:221772:224290,CC1CN(c2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1,ANVDHSRSIWQUMA-UHFFFAOYSA-N
rxn:4:221776:222628,CC1CN(c2ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,UUHHOOQMOPLTQR-UHFFFAOYSA-N
rxn:4:221844:222423,COc1c(-c2ccc(Cn3c(C)cn4c5c(=O)n(C)c(=O)n(C)c5nc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JTKNSSWLPWZWGL-UHFFFAOYSA-N
rxn:4:222144:223684,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3cccnc3)ccc2OC(F)(F)F)cc1,XREKWWBOSKKNLD-UHFFFAOYSA-N
rxn:4:222195:223743,Cc1ccc(-c2cccc(Cn3c(N4CCN(C)CC4)nc4c3c(=O)n(C)c(=O)n4C)c2)cc1OCCCN1CCC(C)CC1,JXKFKSZVZUOBCT-UHFFFAOYSA-N
rxn:4:222362:224630,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)ccc6OCc6ccccn6)cc6[nH]ncc56)nn4)cn3c2)CC1,ARMDSVFBVBQIKK-UHFFFAOYSA-N
rxn:4:222362:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)CC1,UFYLOLYHCHUGQQ-KWQFAZJVSA-N
rxn:4:222363:223573,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CCXSNSTWMVXUPJ-UHFFFAOYSA-N
rxn:4:222363:224063,Cc1cc(CN2CCN(c3c(-c4cc(C5CC5)cc(N5CCCC(C)C5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BEKNRWGWXMFRON-UHFFFAOYSA-N
rxn:4:184220:222423,COc1c(-c2ccc(S(=O)(=O)N(C(=O)c3ccc(C)cc3)c3ccc4oc(C)c(C(C)=O)c4c3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FVFMLBPKDJPQRG-UHFFFAOYSA-N
rxn:4:185645:222423,COc1c(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3cc4sc(=O)oc4c4ccccc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LLFWBLUUUBDLIB-UHFFFAOYSA-N
rxn:4:191166:222423,COc1c(-c2ccc(C3c4c(oc5ccc(F)cc5c4=O)C(=O)N3Cc3ccco3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KPDNUODYKSVSNP-UHFFFAOYSA-N
rxn:4:201147:222624,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)ccc21,WZHLWJSNDXLBNY-UHFFFAOYSA-N
rxn:4:201189:222616,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cc(C3CCNCC3)cc(C(C)(C)C)c2)cc1,FRPBQOLPSGRMNU-UHFFFAOYSA-N
rxn:4:213451:222711,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OC)c(S(=O)(=O)NC(C)(C)C)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LOTWFLUHVVNKJI-UHFFFAOYSA-N
rxn:4:213481:222886,COC12CC(COC(=O)c3cncc(-c4ccc(N5CCNCC5)cc4C#N)c3)CN(C)C1Cc1cn(C)c3cccc2c13,KTRCXVVGVPDFGN-UHFFFAOYSA-N
rxn:4:218785:223501,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc1-2,GDHBRCVNKUFQRE-UHFFFAOYSA-N
rxn:4:218785:223566,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(-n4c(C)ccc4C)nc(-n4c(C)ccc4C)c3)cc1-2,HKXIIWORLDIITH-UHFFFAOYSA-N
rxn:4:218785:223942,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc4nnn(Cc5ccccc5)c4cc3F)cc1-2,SLEINOZBFAOMFD-UHFFFAOYSA-N
rxn:4:219780:223743,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C)c(OCCCN6CCC(C)CC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,XKKKHTXODUNOIB-UHFFFAOYSA-N
rxn:4:221252:223684,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(OCc3cccnc3)ccc2OC(F)(F)F)cc1,UKKZBPYFFLGWIT-UHFFFAOYSA-N
rxn:4:221252:223843,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(S(=O)(=O)N(CC)CC)cc2C(F)(F)F)cc1,GVONYDRYGXXRMD-UHFFFAOYSA-N
rxn:4:221271:224006,COc1nc2ccc(OC(F)(F)F)cc2cc1-c1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)cc1,YPESEPATPHORTD-UHFFFAOYSA-N
rxn:4:221569:223105,CNS(=O)(=O)c1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(OC)cc4)n(C)c3=O)cc2)c(F)cc1C,SMSWCMRXGMKJCV-UHFFFAOYSA-N
rxn:4:221572:223684,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(OCc4cccnc4)ccc3OC(F)(F)F)cc2)n(C)c1=O,YHHNYLYKFRPZAR-UHFFFAOYSA-N
rxn:4:221574:222524,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)c(=O)n2C)cc1,XNVDBHUDLZIIJE-UHFFFAOYSA-N
rxn:4:221758:223992,Cc1ccc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,WFEHNXLGWXMZEA-UHFFFAOYSA-N
rxn:4:221782:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)c(C(F)(F)F)c1,LVGQNPUHGVEBID-UHFFFAOYSA-N
rxn:4:221789:222997,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(Cl)cc4C4CCCNC4)cc3)n(C)c2=O)cc1,KHRWJNOCKZLGJP-UHFFFAOYSA-N
rxn:4:221929:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,VEJMWFGCZLTAEC-UHFFFAOYSA-N
rxn:4:221995:223908,COc1ccc(COc2cc(Cl)ccc2-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)cc1,KEVYISDNLXCNKI-UHFFFAOYSA-N
rxn:4:222047:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-n4cnnn4)cc3C(=O)N3CCN(c4ccc(C)cc4C)CC3)c(F)cc2C)CC1,CJZNIFCSIJMQBD-UHFFFAOYSA-N
rxn:4:222135:222423,COc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,SEOXEKCGMXKJFG-UHFFFAOYSA-N
rxn:4:222137:223675,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3ccccc3)c(C(F)(F)F)cc2Cl)cc1,BPIJALBWMPELAI-UHFFFAOYSA-N
rxn:4:222137:223800,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3ccccc3)cc(C(F)(F)F)c2)cc1,ACKRYDABVRVLQT-UHFFFAOYSA-N
rxn:4:222142:224290,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1,NIIKZDXUUVOSCW-UHFFFAOYSA-N
rxn:4:222144:224121,CSc1ccc(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cc1OCc1ccccc1,BCGIVUIMZPCPRZ-UHFFFAOYSA-N
rxn:4:222144:224736,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(C(F)(F)F)cc2OCC(C)C)cc1,SRTIGNNTEWEHLG-UHFFFAOYSA-N
rxn:4:222195:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(Cn2c(N3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1,UZBBAIPNNPHLNK-UHFFFAOYSA-N
rxn:4:222195:222623,CCC(C)c1cc(-c2cccc(Cn3c(N4CCN(C)CC4)nc4c3c(=O)n(C)c(=O)n4C)c2)cc(C2CCNCC2)n1,NAGFTWIGMWXZMY-UHFFFAOYSA-N
rxn:4:222195:223598,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c2)CC1,HKFAKRFOVVZDOE-UHFFFAOYSA-N
rxn:4:222362:223515,Cc1ccc(N(c2ccc(C)cc2)c2cccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)cc1,WXBYDZZJRBAHHI-UHFFFAOYSA-N
rxn:4:222363:222758,Cc1cc(CN2CCN(c3c(-c4ccc(NC(=O)OC(C)(C)C)c(C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CLKFYAPSOGBLKD-UHFFFAOYSA-N
rxn:4:183978:222423,COc1ccc(N(Cc2ccccc2)C(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)cc1,CDJPNCJOHDTBKK-UHFFFAOYSA-N
rxn:4:184241:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(F)cc2)N(CCCOC(C)C)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QWRCQIHJPPVHPY-UHFFFAOYSA-N
rxn:4:199593:222423,COc1c(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(OC)CC2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JELWGWBZLVYTEW-UHFFFAOYSA-N
rxn:4:199983:222742,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cc32)SC1=S,YFLYVCQXYHHNFI-UHFFFAOYSA-N
rxn:4:200589:222389,COc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)C2)cc1F,PCEDJZZLJVTDFF-UHFFFAOYSA-N
rxn:4:202729:222423,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,SWPDLEOJMWEDAU-UHFFFAOYSA-N
rxn:4:212750:222438,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)ccc2Cl)cc1N1CCCCC1,WAAWTOHYEOUJMY-UHFFFAOYSA-N
rxn:4:212832:224182,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3ccc(OCCN4CCOCC4)c(C)c3)cc1)SCC2,JWICWLZBLFXGDC-UHFFFAOYSA-N
rxn:4:213448:222714,COc1ccc(C2CC(c3c(C)nc4ccc(-c5cc(NC(=O)OC(C)(C)C)cc(F)c5F)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,DITSYRKPEAAXST-UHFFFAOYSA-N
rxn:4:213448:224655,COc1ccc(C2CC(c3c(C)nc4ccc(-c5ccc(O[Si](C)(C)C(C)(C)C)cc5F)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,OPZUGCKDBFZJBZ-UHFFFAOYSA-N
rxn:4:213449:222524,COc1ccccc1C1CC(c2c(C)nc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3c2-c2ccccc2)=NN1C(C)=O,YQWVPJCXHRRUMD-UHFFFAOYSA-N
rxn:4:213451:222729,CCCc1cc(-c2ccc3c(c2)C(=C2SC(=Nc4ccc(CC)cc4)N(c4ccc(CC)cc4)C2=O)C(=O)N3CC)cc(C2CCCNC2)n1,DIJPSVLJGZCKAG-UHFFFAOYSA-N
rxn:4:213475:223657,COc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccncc23)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,BNASRZWGVMKNMW-MXBZJWHDSA-N
rxn:4:213481:222700,COC12CC(COC(=O)c3cncc(-c4ccc(C(F)(F)F)cc4C4CCCNC4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,CWYPEEWRVKITEB-UHFFFAOYSA-N
rxn:4:219061:222423,COc1c(-c2cnc(OC3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DJUFLOMWQMEKHY-UHFFFAOYSA-N
rxn:4:219189:222776,COc1ccc(-c2ccc(CN3CCC(O)CC3)cc2F)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,ZVFSMFOZESVXFK-UHFFFAOYSA-N
rxn:4:219746:223743,Cc1cccc(Cn2c(=O)c3c(nc(-c4ccc(C)c(OCCCN5CCC(C)CC5)c4)n3Cc3ccccc3Cl)n(C)c2=O)c1,MFBQFQNKNVUWSD-UHFFFAOYSA-N
rxn:4:221252:222725,CCNS(=O)(=O)c1ccc(-c2ccc(Cn3c(CN4CCCCC4CC)nc4c3c(=O)n(C)c(=O)n4C)cc2)c(C(F)(F)F)c1,CZGXBOOJZOVOMI-UHFFFAOYSA-N
rxn:4:221252:223533,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1,UCRIYDXIIRJKKJ-UHFFFAOYSA-N
rxn:4:221252:223930,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc3cnn(C(=O)OC(C)(C)C)c3cc2C)cc1,ZGOMZNBACDXGJD-UHFFFAOYSA-N
rxn:4:221573:222423,COc1c(-c2ccc(Cn3c(=O)c4c(nc5n4CC(C)CN5Cc4ccccc4)n(C)c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CYQLBOFHOQVEAD-UHFFFAOYSA-N
rxn:4:221778:222855,COc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)cc2)cc(C2CCCNC2)c1,FDTUDPBOKVJEKM-UHFFFAOYSA-N
rxn:4:221791:225592,Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)ccc2CN2CCCC2)cc1,DCQIAPSOAVIARI-UHFFFAOYSA-N
rxn:4:221995:223578,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cnc(N6CCCCC6)nc5OCc5ccccc5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,LJSSASMCXLHYPD-UHFFFAOYSA-N
rxn:4:221995:226036,COc1c(F)cc(C(F)(F)F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,UFQNKEJRFBSFCQ-UHFFFAOYSA-N
rxn:4:222134:223474,COc1ccc(-c2nnc3n(Cc4ccc(-c5ccc(OCc6ccccc6)c(C67CC8CC(CC(C8)C6)C7)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,AAUGTKHLAYGHSQ-UHFFFAOYSA-N
rxn:4:222195:223755,CC1CCN(CCCOc2ccc(-c3cccc(Cn4c(N5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)c3)cc2F)CC1,AYZYOPUTRZURFQ-UHFFFAOYSA-N
rxn:4:222262:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(-c4noc(Cn5cnc6c(nnn6Cc6cccc(F)c6)c5=O)n4)ccc3F)c2)CC1,GZRBSSWEXHPEFH-UHFFFAOYSA-N
rxn:4:222353:223682,CCc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6c(C(F)(F)F)ccc7c6cnn7C6CCCCO6)cc5)c(C)nn43)c2=O)[nH]1,IUBWGTYHRUOMCV-UHFFFAOYSA-N
rxn:4:222362:222786,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)cc(NC(=O)OC(C)(C)C)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,LMAMICQPKARYAQ-UHFFFAOYSA-N
rxn:4:222362:224254,CC1CCCN(C(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2F)C1,IPHMOKJCPODYBH-UHFFFAOYSA-N
rxn:4:222362:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,GSXXMWBNWVYJOZ-UHFFFAOYSA-N
rxn:4:222363:223556,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)c4ccccc4n5C(=O)OC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WFHDUPYGNMOLFH-UHFFFAOYSA-N
rxn:4:222363:224589,Cc1cc(CN2CCN(c3c(-c4ccc(F)cc4CN4CCC(C)CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,COMFPBBBMBQTMO-UHFFFAOYSA-N
rxn:4:222387:222602,CC(C)Cc1cc(-c2cnc(N3CCOC(Cn4nnc5ncc(-c6cnn(C)c6)nc54)C3)nc2)c(S(=O)(=O)NC(C)(C)C)s1,KKHGCNARCBXDQT-UHFFFAOYSA-N
rxn:4:222539:222363,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)CC(NC(=O)OC(C)(C)C)C5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WSXDZXYNKCNNJR-UHFFFAOYSA-N
rxn:4:207827:222423,COc1c(-c2ccc(N3C(=O)N(c4cccc(Cl)c4)C4CS(=O)(=O)CC43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GGGKLRCECFWYPE-UHFFFAOYSA-N
rxn:4:209777:222423,COc1c(-c2ccc(N3CCCC(F)(F)C3)cn2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,COWISMXENJYUCM-UHFFFAOYSA-N
rxn:4:212839:223698,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCCC5)c4)ccn23)CC1,XWPPLNXGCLLDSV-UHFFFAOYSA-N
rxn:4:213451:223138,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccnc(C6CCNCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LCSCMKMPCUVPAJ-UHFFFAOYSA-N
rxn:4:214251:222423,COc1c(-c2ccc(Cn3c(=O)n(Cc4ccc(F)cc4)c(=O)c4ncccc43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZEZVGNVPDYTWIT-UHFFFAOYSA-N
rxn:4:214362:223530,CCn1cc(-c2nc(-c3ccc(-c4cc(F)ccc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,KHTRXGXPAYBWIC-UHFFFAOYSA-N
rxn:4:215310:223725,CCCCCc1ccc(-c2ccc(-c3ccc(C4C5=C(OC(C)=O)c6ccccc6C5=Nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)c2)cc1,GIAIHMKJHDUKGA-UHFFFAOYSA-N
rxn:4:218694:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(-c3nccs3)c(C(=O)N3C[C@H](Oc4nccc(C#N)c4C)CC[C@H]3C)c2)CC1,SVYUMIWRJWNQTE-QDPGVEIFSA-N
rxn:4:218716:222423,COC(=O)Cn1c(=O)c2c(nc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)n2CC(=O)OC)n(C)c1=O,YYBOWXCZFZOUPP-UHFFFAOYSA-N
rxn:4:219780:223754,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(OCCCN6CCC(C)CC6)c(Cl)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,CVVPAJGCRBVJGW-UHFFFAOYSA-N
rxn:4:219780:223760,COc1cc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)c(OC)cc1OCc1ccccc1,GPFZGMJAIZNGDI-UHFFFAOYSA-N
rxn:4:221252:222456,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1,VWGHOBKMFSPXNA-UHFFFAOYSA-N
rxn:4:221252:223682,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2c(C(F)(F)F)ccc3c2cnn3C2CCCCO2)cc1,AITAIPCVIFUGJS-UHFFFAOYSA-N
rxn:4:221570:222850,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4C#N)cc3)c(=O)n2C)c1,ISPZVYHILSQPKS-UHFFFAOYSA-N
rxn:4:221571:224662,CN1CCN(Cc2ccc(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CC=Cc4ccccc4)c(=O)n3C)cc2)CC1,DODMPJGEZJXKHN-UHFFFAOYSA-N
rxn:4:221766:222701,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)cc(C(F)(F)F)c4)cc3)c(=O)n2C)cc1,SGJZBQJNYMKWSK-UHFFFAOYSA-N
rxn:4:221770:224015,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCOCC5)c(C)cc4F)cc3)c(=O)n2C)c1,NGVBOTMDMCQSNY-UHFFFAOYSA-N
rxn:4:221784:222702,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)n(C)c2=O)c1,PAXRVTUHCVRDNL-UHFFFAOYSA-N
rxn:4:221789:222700,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(C(F)(F)F)cc4C4CCCNC4)cc3)n(C)c2=O)cc1,WXPSTAMAAGYWGW-UHFFFAOYSA-N
rxn:4:221794:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc4nc(SCc5cc(=O)n6cc(Cl)ccc6n5)n5c6ccccc6nc5c4c3)cc2C)CC1,GKUSHBOMNQGRGY-UHFFFAOYSA-N
rxn:4:221928:222615,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(CC(C)C)cc(C5CCNCC5)c4)ccc3OC)nnc12,UPJIPJIUQJWUJX-UHFFFAOYSA-N
rxn:4:221986:223604,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)cc2)CC1,LCHAHUOEJSNXMZ-UHFFFAOYSA-N
rxn:4:221990:224011,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(F)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,QLMDIQCXENIKSS-UHFFFAOYSA-N
rxn:4:221991:222466,Cn1c(=O)c2c(n(C)c1=O)n1c(-c3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)nnc1n2CCCc1ccccc1,MUXKQHZWOPCARE-UHFFFAOYSA-N
rxn:4:222195:223488,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cc4cc(Oc5ccccc5)ccc4n3C(=O)OC(C)(C)C)c2)CC1,MODDSOJJEYSLHE-UHFFFAOYSA-N
rxn:4:222207:223744,CCCCOc1c(C)cccc1-c1ncccc1-c1ccc(-c2nnc3n(Cc4cccc(C)c4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,BKGQIOJOPJEBFW-UHFFFAOYSA-N
rxn:4:222362:223244,COc1cc2[nH]ncc2cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,KDQRPXIXDJUYBP-UHFFFAOYSA-N
rxn:4:222362:227078,COc1ccc(C2CC2)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,GFTFYMSSBOLZOL-UHFFFAOYSA-N
rxn:4:222363:228631,Cc1cc(CN2CCN(c3c(-c4ccsc4C4CCC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QLLKPXLZFHLOMS-UHFFFAOYSA-N
rxn:4:184239:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2cccc(Cl)c2)N(CCCOC(C)C)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GFLVQSYTXDHZRR-UHFFFAOYSA-N
rxn:4:200021:222624,CCCCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)ccc21,BCIXIJGUJSZKDA-UHFFFAOYSA-N
rxn:4:200060:223530,COc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCCC4)cc1,OPWWXDFPZICRNG-UHFFFAOYSA-N
rxn:4:201184:223762,COC(=O)c1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2)N(CCCN2CCOCC2)C4=O)c(C)n(Cc2ccccc2)c1C,SUTDRXSNONQYLS-UHFFFAOYSA-N
rxn:4:201186:222465,CCCOc1ccc(C2c3c(oc4ccc(-c5cc(C6CCCCC6)nc(C6CCCNC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,CKVIIRWWJMZZFG-UHFFFAOYSA-N
rxn:4:202747:222628,COc1cc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc2cc(C(=O)N3CCN(c4ccccc4C)CC3)c(=O)oc12,DODRWNUYLMTHHR-UHFFFAOYSA-N
rxn:4:207910:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2cccc(F)c2)N(c2cc(C)on2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XCPJWQFXTJTVAW-UHFFFAOYSA-N
rxn:4:213451:224359,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C(=O)N(CC)CC)cc([N+](=O)[O-])c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,SBQUUOGBEIFTGI-UHFFFAOYSA-N
rxn:4:214303:223570,CC(C)N1C(=O)C(=Cc2c(Oc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)nc3ccccn3c2=O)SC1=S,FDBNYNITGZHYJW-UHFFFAOYSA-N
rxn:4:219155:222423,COc1c(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(C)cn4)C3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IWKCZXWOAULGKW-UHFFFAOYSA-N
rxn:4:219780:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)c1,MQSGECIRVGWRDN-UHFFFAOYSA-N
rxn:4:220156:222423,COc1c(-c2ccc(C3Cn4nnc(C(=O)N5CCSCC5)c4CO3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,TTZVEDKJLJBOMN-UHFFFAOYSA-N
rxn:4:221252:223666,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cccc(COc3ccc(OC(F)(F)F)cc3)c2)cc1,LMPHZDLISPEUSO-UHFFFAOYSA-N
rxn:4:221252:223956,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(N(Cc3ccccc3)[SH](=O)=O)cc2)cc1,NJNGOBRVRPSVOI-UHFFFAOYSA-N
rxn:4:221766:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4)n(C)c3=O)cc2)c(C(F)(F)F)c1,XXURNDSKEUJWST-UHFFFAOYSA-N
rxn:4:221777:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)cc1,HRAKMEMWOGQFOI-UHFFFAOYSA-N
rxn:4:221782:222847,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C#N)cc(C5CCCNC5)c4)cc3)c(=O)n2C)c(C)c1,YSSUOXHEPFICGD-UHFFFAOYSA-N
rxn:4:221790:225177,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(CN4CCSCC4)c(F)c3)cc2)n(C)c1=O,BBRVTMJOTUMQFI-UHFFFAOYSA-N
rxn:4:221791:222486,Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cncc(-c3cncc(C4CCCCN4)c3)c2)cc1,HDUXTGRSDDKAHY-UHFFFAOYSA-N
rxn:4:221928:225213,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(N5CCN(C)CC5)cc4Cl)ccc3OC)nnc12,MTJTWIJAWCLQNH-UHFFFAOYSA-N
rxn:4:222195:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cccc(Cn4c(N5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)c3)cnc21,NYKHEVVGJHAMTG-UHFFFAOYSA-N
rxn:4:222195:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cccc(Cn2c(N3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1,DMPCKNQNULFHHI-UHFFFAOYSA-N
rxn:4:222205:222624,Cc1ccc(-c2nnc3n(Cc4ccc(-c5cc(CC(C)C)nc(C6CCNCC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,QUGSXCXNTVHHAG-UHFFFAOYSA-N
rxn:4:222271:222389,Cc1ccccc1Cn1nnc2c(=O)n(Cc3nc(-c4ccc(F)c(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)c4)no3)cnc21,UPVZBKSFMBMTQS-UHFFFAOYSA-N
rxn:4:222362:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,ZLKGBSQFQWCMHU-UHFFFAOYSA-N
rxn:4:222362:223669,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(N7CCN(C(=O)OC(C)(C)C)CC7)nc6)cc6[nH]ncc56)nn4)cn3c2)CC1,ROOKTMSVACQXRE-UHFFFAOYSA-N
rxn:4:222362:223952,CN1CCN(CCOc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2Cl)CC1,HUVGGZYMZBQDKN-UHFFFAOYSA-N
rxn:4:222362:224302,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c6F)cc6[nH]ncc56)nn4)cn3c2)CC1,GSJAPHINCIKHPV-UHFFFAOYSA-N
rxn:4:222362:225177,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CN7CCSCC7)c(F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,PYGPDTKFZXIJGZ-UHFFFAOYSA-N
rxn:4:222362:227151,Cc1cc2cnn(C)c2cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,PAUJTKBZANMAKQ-UHFFFAOYSA-N
rxn:4:222363:223950,Cc1cc(CN2CCN(c3c(-c4cnc(OCc5ccccc5)nc4N(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XBENVTUEXKCJHZ-UHFFFAOYSA-N
rxn:4:222363:224242,Cc1cc(CN2CCN(c3c(-c4ccc(OCc5ccc(Cl)cc5)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GIKRWFMGNPHFOL-UHFFFAOYSA-N
rxn:4:222363:228424,COc1cc(F)c(Cl)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,OILPLJHZOARZNU-UHFFFAOYSA-N
rxn:4:222363:228644,Cc1cc(CN2CCN(c3c(-c4cc(C)c(F)c(C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YSNDMZGHMQVTGN-UHFFFAOYSA-N
rxn:4:222539:222362,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc7c(c6)CC(NC(=O)OC(C)(C)C)C7)cc6[nH]ncc56)nn4)cn3c2)CC1,SPDQVVVLANSOJC-UHFFFAOYSA-N
rxn:4:201187:223557,CCCOc1cccc(C2c3c(oc4ccc(-c5c(F)ccc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,YLLFKUGVQPUFFN-UHFFFAOYSA-N
rxn:4:204738:222389,CCCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,CGEITSJRDAOAAK-UHFFFAOYSA-N
rxn:4:204857:222423,COc1c(-c2ccc(CN3C(=O)N(c4ccc(C)c(C)c4)S(=O)(=O)c4ccccc43)c(F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LDCOXEIOLZWUDJ-UHFFFAOYSA-N
rxn:4:212749:222438,CC1CN(Cc2ccc(-c3cc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)ccc3Cl)cc2N2CCCCC2)CCN1C(=O)OC(C)(C)C,UZTWFZRGEJTGSJ-UHFFFAOYSA-N
rxn:4:212756:222602,COCCn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3cc(CC(C)C)sc3S(=O)(=O)NC(C)(C)C)ccc21,UIAZUQFQAUYBBL-UHFFFAOYSA-N
rxn:4:213448:224651,COc1ccc(C2CC(c3c(C)nc4ccc(-c5c(F)cccc5O[Si](C)(C)C(C)(C)C)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,GXPUHXOOBFPKLB-UHFFFAOYSA-N
rxn:4:213451:222956,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(C)cc5C5CCCNC5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,HVYGQQOAIYGBQN-UHFFFAOYSA-N
rxn:4:213451:225172,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(CN6CCOCC6)ccc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,SCHRBBABEQIOOI-UHFFFAOYSA-N
rxn:4:213451:225261,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(S(=O)(=O)N(CC)CC)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,SFHHAXGCGKYNOP-UHFFFAOYSA-N
rxn:4:214386:222466,COc1cc(OC)c2cc(C(=O)N3CCc4[nH]c5c(-c6cc(C7CCCCC7)nc(C7CCNCC7)c6)cccc5c4C3)n(C)c2c1,LPHLRALEGWPQMF-UHFFFAOYSA-N
rxn:4:214386:223534,COc1cc(OC)c2cc(C(=O)N3CCc4[nH]c5c(-c6cc(OC7CCN(C(=O)OC(C)(C)C)CC7)ncc6F)cccc5c4C3)n(C)c2c1,YQQRNJIOTOETFM-UHFFFAOYSA-N
rxn:4:219039:223841,Cc1cc(F)c(-c2cnccc2OC2CCN(C(=O)c3cnn(-c4ccccc4)c3C)C2)cc1S(=O)(=O)N1CCN(C)CC1,WYKRZYQVMJXIQK-UHFFFAOYSA-N
rxn:4:219203:222423,COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc2-n2c(C)cnc21,YJTWJJYSSGLFBV-UMSFTDKQSA-N
rxn:4:219780:223682,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5c(C(F)(F)F)ccc6c5cnn6C5CCCCO5)c(C(F)F)cc43)nn2C2CCOCC2)C1,IAZIDDADVILDNO-UHFFFAOYSA-N
rxn:4:219780:223753,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C)c(OCCCN6CCN(C)CC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,HERQFWXLODBYHE-UHFFFAOYSA-N
rxn:4:221252:222612,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cc1,UXXUMSDBEDOMNH-UHFFFAOYSA-N
rxn:4:221252:223641,CCc1cc2c(cc1F)cc(-c1ccc(Cn3c(CN4CCCCC4CC)nc4c3c(=O)n(C)c(=O)n4C)cc1)n2C(=O)OC(C)(C)C,JXKZBEXOCIEGSN-UHFFFAOYSA-N
rxn:4:221269:223527,CCOC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)n(C)c1=O,LYJJKILAGMODRW-UHFFFAOYSA-N
rxn:4:221571:223105,CNS(=O)(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CC=Cc4ccccc4)c(=O)n3C)cc2)c(F)cc1C,FBBKVBAYIYTHLT-UHFFFAOYSA-N
rxn:4:221575:224018,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,LPTKRGNDOAHGLS-UHFFFAOYSA-N
rxn:4:221760:224667,CN1CCN(Cc2cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5ccccc5F)c(=O)n4C)cc3)ccc2Cl)CC1,NCSHXJIYZLDJAK-UHFFFAOYSA-N
rxn:4:221785:222847,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C#N)cc(C5CCCNC5)c4)cc3)n(C)c2=O)c1,JZEIJEUNDOZNRB-UHFFFAOYSA-N
rxn:4:221793:223137,CC1CN(c2ccc(-c3cncc(C4CCCNC4)c3)cc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1,BQACYULQHVUYFI-UHFFFAOYSA-N
rxn:4:221793:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(N4CC(C)Cn5c4nc4c5c(=O)n(Cc5cccc6ccccc56)c(=O)n4C)cc3)c2)CC1,CFDKXPZRXSFWES-UHFFFAOYSA-N
rxn:4:222144:222996,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(F)cc2C2CCCNC2)cc1,POUJMUODIABUBD-UHFFFAOYSA-N
rxn:4:222144:225335,CCOc1cc(OC(F)(F)F)ccc1-c1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1,IORCVVVYVLRPQO-UHFFFAOYSA-N
rxn:4:222206:222628,Cn1c(=O)c2c(nc3n2CC(c2ccc(F)cc2)=NN3Cc2ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc2)n(C)c1=O,HCHOEVJFAABGDJ-UHFFFAOYSA-N
rxn:4:222244:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3ccc(-n4cnnn4)c(C(=O)N4CCN(CCc5ccccn5)CC4)c3)c(F)c2s1,YWXMCJWRRCWLMS-UHFFFAOYSA-N
rxn:4:222362:222531,Cc1ccc(NC(=O)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)c(C)c1,JLIVHQHLQWGHDG-UHFFFAOYSA-N
rxn:4:222362:223751,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(CN7C(=O)c8ccccc8C7=O)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,QCWILHKOTMCMGI-UHFFFAOYSA-N
rxn:4:222362:224189,COc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc1O[Si](C)(C)C(C)(C)C,WKHZDWDFPHPNEK-UHFFFAOYSA-N
rxn:4:222362:224190,COc1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1O[Si](C)(C)C(C)(C)C,SQYIHEIYFRDBIU-UHFFFAOYSA-N
rxn:4:222363:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1,ZSHHHBNBQWTFOB-UHFFFAOYSA-N
rxn:4:222855:212839,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(OC)cc(C5CCCNC5)c4)ccn23)CC1,HQWNHBSDCCVXLN-UHFFFAOYSA-N
rxn:4:184268:222423,COc1c(-c2ccc(OCCC(F)(F)F)c(C#N)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FJYPATAKMUCBBI-UHFFFAOYSA-N
rxn:4:188016:222423,COc1cccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2Cc2ccco2)c1,KZNXQVBJAWOCSR-UHFFFAOYSA-N
rxn:4:201183:222537,O=C1c2oc3ccccc3c(=O)c2C(c2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cc2)N1CCCN1CCOCC1,HIVMXMDURKLZHC-UHFFFAOYSA-N
rxn:4:202703:222742,CCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3cc(C4CCNCC4)nc(C4CC4)c3)ccc21,UFKUDJYQIDZFBN-UHFFFAOYSA-N
rxn:4:203513:222423,COc1c(-c2cnc(OCC3CCOCC3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,AWMOJFYLNNDLQK-UHFFFAOYSA-N
rxn:4:212751:222526,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc4cc(OCc5ccccc5)ccc4[nH]3)c2)CCN1C(=O)OC(C)(C)C,GESJXPHXYWNKBC-UHFFFAOYSA-N
rxn:4:212850:222423,CCCn1c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2c2nc3cc(OCC)c(OCC)cc3nc21,SLVRKQUNZKVDNR-UHFFFAOYSA-N
rxn:4:213451:222587,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(NCc6ccccc6)cc([N+](=O)[O-])c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,MIWYKMPQVXABOB-UHFFFAOYSA-N
rxn:4:214388:225813,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(F)c(OC(C)C)c(F)c4C)c(OC)cc12)CC3,OGSUPWTXDJRJQL-UHFFFAOYSA-N
rxn:4:215308:222423,COc1c(-c2ccc3c(c2)C2C(C3)OCc3n[n+](-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cn32)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MBGRETYCIASACD-UHFFFAOYSA-N
rxn:4:219780:222772,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(Cl)c(C(=O)NC6CCCC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,HURFIERVFCNQFK-UHFFFAOYSA-N
rxn:4:219780:223519,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cccc(-c6nc7ccccc7n6-c6ccccc6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,KLIDNRSKQXVEHL-UHFFFAOYSA-N
rxn:4:219780:223587,COc1cc(COc2ccc(F)c(-c3cc4c(cc3C(F)F)N(c3nn(C5CCOCC5)c5c3CN(C(C)=O)CC5)CCC4)c2F)cc(OC)c1,FINLTAUEAOHRFQ-UHFFFAOYSA-N
rxn:4:219780:223963,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5c(F)ccc(OCc6ccccc6Cl)c5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,FWDZSFOBBMAZPQ-UHFFFAOYSA-N
rxn:4:219780:224461,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(-c6ccccn6)cc(C6CC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,MLNOAKGMCRGTLX-UHFFFAOYSA-N
rxn:4:219780:224500,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnc(OCc6ccccc6)c(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,OHMRANKEEMPNPK-UHFFFAOYSA-N
rxn:4:219780:224577,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(C6CC6)cc(-n6cnc(C)c6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,NKSLJIPWHPLYFN-UHFFFAOYSA-N
rxn:4:219780:224583,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(-c6ccncn6)cc(C6CC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,VCRWGORUEALAME-UHFFFAOYSA-N
rxn:4:219780:224668,CCN1CCN(c2cc(F)cc(-c3cc4c(cc3C(F)F)N(c3nn(C5CCOCC5)c5c3CN(C(C)=O)CC5)CCC4)c2)CC1,QFNVWEHTWMNYPJ-UHFFFAOYSA-N
rxn:4:221252:222848,CCc1cc(-c2ccc(Cn3c(CN4CCCCC4CC)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc(C2CCCNC2)n1,FPNAYZULCNDVBI-UHFFFAOYSA-N
rxn:4:221538:222622,CCC(C)c1cc(-c2ccc(Cn3c(CN4CCCCC4C)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc(C2CCCNC2)n1,XTRXSRVECBMBDO-UHFFFAOYSA-N
rxn:4:221570:222957,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C)cc(C5CCCNC5)c4)cc3)c(=O)n2C)c1,UQYPTEOHYOPNKU-UHFFFAOYSA-N
rxn:4:221572:223692,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(OCc4cccnc4)c(Cl)cc3C(F)(F)F)cc2)n(C)c1=O,VANOSFCTYGTZPA-UHFFFAOYSA-N
rxn:4:221575:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1,LLEHEPPCYYGKNO-UHFFFAOYSA-N
rxn:4:221768:223814,Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4F)cc3)c(=O)n2C)cc1C,RRHXHXXQYXGEJI-UHFFFAOYSA-N
rxn:4:221788:224662,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)ccc4CN4CCN(C)CC4)cc3)c(=O)n2C)cc1,MTYNOQXIBZYOJZ-UHFFFAOYSA-N
rxn:4:221790:223007,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)cc(C4CCNCC4)c3)cc2)n(C)c1=O,IADXPPXVHSHFEJ-UHFFFAOYSA-N
rxn:4:221929:224667,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(Cl)c(CN6CCN(C)CC6)c5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,QMPVTSMCDHZBKZ-UHFFFAOYSA-N
rxn:4:222363:224142,Cc1ccc(OCc2ccccc2Cl)c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1,UOAWSTQTOMHHTJ-UHFFFAOYSA-N
rxn:4:222363:224161,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)C5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SYOXPZSAKIZWAW-UHFFFAOYSA-N
rxn:4:222855:222362,COc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C2CCCNC2)c1,HXJAJBJCJJAACK-UHFFFAOYSA-N
rxn:4:181801:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F,IAHDIIKUMHDOGY-UHFFFAOYSA-N
rxn:4:199964:222730,CCCc1cc(-c2ccc3c(c2)C(=C2SC(=S)N(CCCOC)C2=O)C(=O)N3CCC)cc(C2CCNCC2)n1,NQRGRKOISUOJJX-UHFFFAOYSA-N
rxn:4:200053:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(C4c5c(oc6cc(OC)ccc6c5=O)C(=O)N4CCCN(C)C)c3)c(F)cc2C)CC1,RHXRVYIOKJLLST-UHFFFAOYSA-N
rxn:4:201188:222389,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1cccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,WUIOUWAZCRJEFL-UHFFFAOYSA-N
rxn:4:204776:222423,COc1c(-c2ccc(N3C(=O)N(c4cccc(C(F)(F)F)c4)C4CS(=O)(=O)CC43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XEGXTKBFWUBZGG-UHFFFAOYSA-N
rxn:4:212741:224007,CC(C)COc1cc(OC(F)(F)F)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c(N3CCCC3)c2)c1F,KNZYVXTWBMYUBF-UHFFFAOYSA-N
rxn:4:213405:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc(C)c(C)c34)c2C)cc1,WSZXDYOXRGJKMR-UHFFFAOYSA-N
rxn:4:214253:223570,CCN1C(=O)C(=Cc2c(Oc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)nc3ccccn3c2=O)SC1=S,VSVAQMACXLEYJD-UHFFFAOYSA-N
rxn:4:219780:223511,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc6c(ccn6-c6ccc(-c7ccccc7)cc6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,VMPIYPZCZCAIQX-UHFFFAOYSA-N
rxn:4:219780:223559,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc6c(c5)C(C)=CC(C)(C)N6C(=O)OC(C)(C)C)c(C(F)F)cc43)nn2C2CCOCC2)C1,GXAVOTWUFXFUMV-UHFFFAOYSA-N
rxn:4:219780:223626,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c(C(F)F)cc43)nn2C2CCOCC2)C1,KAEKBTAQGDUEKH-UHFFFAOYSA-N
rxn:4:219780:223715,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(COc6cccc7ccccc67)cc5)c(C(F)F)cc43)nn2C2CCOCC2)C1,VWEVPJUYNYXUEX-UHFFFAOYSA-N
rxn:4:219780:223909,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C(=O)OCc6ccccc6)c(F)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,UVVKITPUXYJDPC-UHFFFAOYSA-N
rxn:4:219780:224200,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(OCc6cccnc6)c(Cl)cc5C)c(C(F)F)cc43)nn2C2CCOCC2)C1,FBBAGSMZTVGRIJ-UHFFFAOYSA-N
rxn:4:219780:224579,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(-n6cnc(C)c6)ccc5C5CC5)c(C(F)F)cc43)nn2C2CCOCC2)C1,FVMZKSZZIBLJER-UHFFFAOYSA-N
rxn:4:219780:224745,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(C(=O)OC(C)(C)C)c(Cl)cc5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,XMEWEKVXBUWSAM-UHFFFAOYSA-N
rxn:4:219780:225143,COc1cc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)ccc1-n1cnc(C)c1,ZBQPWQCRVBBSGT-UHFFFAOYSA-N
rxn:4:219780:226188,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(C)c([Si](C)(C)C)cc5C)c(C(F)F)cc43)nn2C2CCOCC2)C1,QHXVNRQBVUMOAK-UHFFFAOYSA-N
rxn:4:221257:223570,COC(=O)Cn1c(C)cn2c3c(=O)n(Cc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)c(=O)n(C)c3nc12,VEQWSLJPHBFGSQ-UHFFFAOYSA-N
rxn:4:221562:222621,CC(C)Cc1cc(-c2ccc(COc3cccc(N4CCn5c4nc4c5c(=O)n(C)c(=O)n4C)c3)cc2)cc(C2CCCNC2)n1,NGGBUKCVOVTTGE-UHFFFAOYSA-N
rxn:4:221776:223006,CC1CN(c2ccc(-c3ccc(F)c(C4CCNCC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,HKPXLDWFBCCZGS-UHFFFAOYSA-N
rxn:4:221782:222623,CCC(C)c1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)cc(C2CCNCC2)n1,WIBJSGWHHMKLQI-UHFFFAOYSA-N
rxn:4:221790:225593,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)cc(CN4CCCC4)c3)cc2)n(C)c1=O,PNMBSBKPEBLGBP-UHFFFAOYSA-N
rxn:4:222133:222389,Cn1c(=O)c2c(n(C)c1=O)n1c(-c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)nnc1n2CCc1ccccc1,YSQCJOUALWGEPL-UHFFFAOYSA-N
rxn:4:222142:224631,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)ccc2OCc2ccncc2)cc1,MMWAIXDJJYTATL-UHFFFAOYSA-N
rxn:4:222277:222461,CC(C)(C)OC(=O)Nc1nc2c(-c3cccc(C(=O)N4CCN(c5ncnc6c5nnn6Cc5ccccc5)CC4)c3)c(F)cc(F)c2s1,WJOQIXCNDGRKKH-UHFFFAOYSA-N
rxn:4:222362:222500,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(=O)NCc7ccc(F)cc7)ccc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,ITVUBPPGADSYKM-UHFFFAOYSA-N
rxn:4:222362:227282,CC(C)c1ncc(C#N)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,REBIKZSFQFMDRB-UHFFFAOYSA-N
rxn:4:222363:224020,Cc1cc(CN2CCN(c3c(-c4ccc5ccc6cccc7ccc4c5c67)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YNQAKEXNQHNDEZ-UHFFFAOYSA-N
rxn:4:222363:224226,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(OCc5ccccc5)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DHOHAXLIWDFKFS-UHFFFAOYSA-N
rxn:4:222363:224852,Cc1cc(C)cc(-c2ccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)cc2)c1,VBCDCPMAQYRWQL-UHFFFAOYSA-N
rxn:4:222999:222363,Cc1cc(CN2CCN(c3c(-c4cc(Cl)cc(C5CCCNC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QLLXNODBDRLINP-UHFFFAOYSA-N
rxn:4:192580:222423,COc1c(-c2cnc(OC3CCSC3)c(F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DYSPGXCNCYXBNQ-UHFFFAOYSA-N
rxn:4:200007:222466,CCCCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)ccc21,OILNRLSWCIQJRY-UHFFFAOYSA-N
rxn:4:200032:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4c(c3)C(=C3SC(=S)N(CCc5ccc(OC)c(OC)c5)C3=O)C(=O)N4CC)c(F)cc2C)CC1,CSNRLMKEYIVENV-UHFFFAOYSA-N
rxn:4:201188:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(C4c5c(oc6cc(OC)ccc6c5=O)C(=O)N4CCN4CCOCC4)c3)c(F)cc2C)CC1,RAMKKXMCEJTIQU-UHFFFAOYSA-N
rxn:4:202800:223694,CC#Cc1cc2c(c(F)c1-c1cc(S(=O)(=O)N3CCN(CC)CC3)c(C)cc1F)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,XZKCFMZCOZBNCB-RUZDIDTESA-N
rxn:4:207909:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2F)N(c2cc(C)on2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HBNFSUVDHBLBEI-UHFFFAOYSA-N
rxn:4:212722:222423,COc1c(-c2ccc(CN(C(=O)N3CCN(C)CC3)S(=O)(=O)c3ccc(C)cc3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,WTHOSSCVVCRWAO-UHFFFAOYSA-N
rxn:4:212744:223743,Cc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OCCCN1CCC(C)CC1,ARSBSGMWUIBJCG-UHFFFAOYSA-N
rxn:4:212748:222533,Cc1ccc(C)c(NC(=O)c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)c1,DMSHQSWRIFMLFW-UHFFFAOYSA-N
rxn:4:213445:223995,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(N7CCN(C)CC7)cc(C(F)(F)F)c6)c(OC)ccc5c4)nc23)cc1OC,GLAOLUFLBXXRSY-UHFFFAOYSA-N
rxn:4:213451:222776,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(CN6CCC(O)CC6)cc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,HARNMJTWZWXNPD-UHFFFAOYSA-N
rxn:4:216333:222389,Cc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc23)cc1,YDMYJHCGKLWYEJ-UHFFFAOYSA-N
rxn:4:219780:222700,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C(F)(F)F)cc5C5CCCNC5)c(C(F)F)cc43)nn2C2CCOCC2)C1,DGEVEIMVARXWJO-UHFFFAOYSA-N
rxn:4:219780:222702,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(C6CCCNC6)ccc5C(F)(F)F)c(C(F)F)cc43)nn2C2CCOCC2)C1,AKZRZDKLPPYQSK-UHFFFAOYSA-N
rxn:4:219780:223478,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,JBQNXYFXJDKJRI-UHFFFAOYSA-N
rxn:4:219780:223907,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C(=O)OCc6ccccc6)cc5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,LUVUEUFUTXPQTD-UHFFFAOYSA-N
rxn:4:219780:224505,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(OCc6ccccc6)nc5C)c(C(F)F)cc43)nn2C2CCOCC2)C1,BVNWGEYJLVHHSD-UHFFFAOYSA-N
rxn:4:219780:224574,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(-n6cc(C)cn6)ccc5C5CC5)c(C(F)F)cc43)nn2C2CCOCC2)C1,GWKVMTGTJIRXAW-UHFFFAOYSA-N
rxn:4:219780:224578,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(-c6cnccn6)cc(C6CC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,YPHVAFNPIAQXJA-UHFFFAOYSA-N
rxn:4:219780:224580,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(-n6ccnc6C)ccc5C5CC5)c(C(F)F)cc43)nn2C2CCOCC2)C1,XAIRZEMLFCVLIR-UHFFFAOYSA-N
rxn:4:219780:224744,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(Cl)c(C(=O)OC(C)(C)C)cc5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,XWROCAVSWHSNJY-UHFFFAOYSA-N
rxn:4:219780:225188,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(Cl)c(CN6CCOCC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,UXECREFIIAULNV-UHFFFAOYSA-N
rxn:4:221252:224067,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(-c3cccnc3)cc(C(C)(C)C)c2)cc1,LAHIJLBUCIHCGE-UHFFFAOYSA-N
rxn:4:221767:223105,CNS(=O)(=O)c1cc(-c2ccc(N3CCn4c3nc3c4c(=O)n(Cc4cc(C)ccc4C)c(=O)n3C)cc2)c(F)cc1C,GNDHXAJSFUKGNS-UHFFFAOYSA-N
rxn:4:221784:224639,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cnc(F)c(OCc5ccccc5)c4)cc3)n(C)c2=O)c1,KCVOQKDYSSJVLE-UHFFFAOYSA-N
rxn:4:221789:222847,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C#N)cc(C5CCCNC5)c4)cc3)n(C)c2=O)cc1,VMGBILNRVIYXCH-UHFFFAOYSA-N
rxn:4:221792:222701,CC1CN(C2CCCCC2)c2nc3c(c(=O)n(Cc4ccc(-c5cc(C6CCCNC6)cc(C(F)(F)F)c5)cc4)c(=O)n3C)n2C1,VUMWHFLAHURCQL-UHFFFAOYSA-N
rxn:4:221793:222461,CC1CN(c2ccc(-c3c(F)cc(F)c4sc(NC(=O)OC(C)(C)C)nc34)cc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1,GMCQOMLXHMWFQF-UHFFFAOYSA-N
rxn:4:222144:225319,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)c(N3CCOCC3)c2)cc1,AHXRAWSYFGRDHY-UHFFFAOYSA-N
rxn:4:222363:224222,Cc1cc(CN2CCN(c3c(-c4cc(F)c(OCc5ccccc5)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NMMYSSVOKQYQLV-UHFFFAOYSA-N
rxn:4:222803:214388,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C5CCNC5)c(C(F)(F)F)c4)c(OC)cc12)CC3,YAIWVIPJHJZPOQ-UHFFFAOYSA-N
rxn:4:199700:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3OC3CCN(C(=O)c4ccc(OC)c(OC)c4)C3)c(F)cc2C)CC1,SEIQBECPABYFDO-UHFFFAOYSA-N
rxn:4:199867:223694,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)c(C)cc2F)c(C2OCCO2)c1,ZALIZJFKGOQTLO-UHFFFAOYSA-N
rxn:4:200053:225044,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1cccc(-c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c1,UGPDLVZNROBBAT-UHFFFAOYSA-N
rxn:4:200060:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-n4c(SCC(=O)c5ccc(OC)cc5)nc5sc6c(c5c4=O)CCCC6)cc3)c(F)cc2C)CC1,PXDCCDAXEYSUGX-UHFFFAOYSA-N
rxn:4:201150:222423,COc1c(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QGRBKCWNMMKFGR-UHFFFAOYSA-N
rxn:4:202798:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccc(C(=O)OC)cc3)N(c3cc(C)ccn3)C5=O)c(F)cc2C)CC1,UPCBKZHVGUJDJT-UHFFFAOYSA-N
rxn:4:204775:222389,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,FVNWOEQVTFEIAI-UHFFFAOYSA-N
rxn:4:212751:223897,Cc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1OCCCN1CCOCC1,IBAOSBRRQLYNRQ-UHFFFAOYSA-N
rxn:4:213448:223995,COc1ccc(C2CC(c3c(C)nc4ccc(-c5cc(N6CCN(C)CC6)cc(C(F)(F)F)c5)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,CARIWEFPQSILOE-UHFFFAOYSA-N
rxn:4:214388:223006,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(F)c(C5CCNCC5)c4)c(OC)cc12)CC3,HOOSXACSYYSKAQ-UHFFFAOYSA-N
rxn:4:218785:222719,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)cc1-2,POMRBSOLRCVLRJ-UHFFFAOYSA-N
rxn:4:219183:222461,COc1ccc(-c2c(F)cc(F)c3sc(NC(=O)OC(C)(C)C)nc23)cc1-c1nc(Cn2ccn3nc(-c4ccccc4)cc3c2=O)c(C)o1,BKZXGWQKLMZJTG-UHFFFAOYSA-N
rxn:4:219709:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3nc4c(c(=O)n(Cc5cccc6ccccc56)c(=O)n4C)n3CC(C)=O)c2)CC1,PKOGSCIMUJBGKR-UHFFFAOYSA-N
rxn:4:219780:222433,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(NC(=O)c6cccc(C(F)(F)F)c6)ccc5C)c(C(F)F)cc43)nn2C2CCOCC2)C1,XRXVGVIAAPMAEN-UHFFFAOYSA-N
rxn:4:219780:223517,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c(C(F)F)cc43)nn2C2CCOCC2)C1,WTUGHELJLOMKKV-UHFFFAOYSA-N
rxn:4:219780:223647,COc1cc(COc2ccc(-c3cc4c(cc3C(F)F)N(c3nn(C5CCOCC5)c5c3CN(C(C)=O)CC5)CCC4)cc2Cl)cc(OC)c1,ZKZRTJMLQJOZSF-UHFFFAOYSA-N
rxn:4:219780:224202,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(OCc6cccnc6)c(C)cc5Cl)c(C(F)F)cc43)nn2C2CCOCC2)C1,AIYFJBABQGEEFN-UHFFFAOYSA-N
rxn:4:219780:224439,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C)c(OCc6ccccc6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,IGLLETKTBPBQSQ-UHFFFAOYSA-N
rxn:4:219780:224503,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnc(OCc6ccccc6)cc5C)c(C(F)F)cc43)nn2C2CCOCC2)C1,AHBMZKGVWILRQY-UHFFFAOYSA-N
rxn:4:219780:224994,COc1ccc(-c2ccncc2)cc1-c1cc2c(cc1C(F)F)N(c1nn(C3CCOCC3)c3c1CN(C(C)=O)CC3)CCC2,FUHZHCGYJYNJCN-UHFFFAOYSA-N
rxn:4:221252:223917,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(F)cc(C(=O)N(C)C3CCCCC3)c2)cc1,XOHXQLBWTNBVDM-UHFFFAOYSA-N
rxn:4:221252:224311,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(-n3ccnc3)cc(-n3ccnc3)c2)cc1,HAQMGLMRZMXVIM-UHFFFAOYSA-N
rxn:4:221274:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)c1,RCYWCORKMAKWGX-UHFFFAOYSA-N
rxn:4:221571:222465,Cn1c(=O)n(CC=Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1,JPEZIXXKKGTJBN-UHFFFAOYSA-N
rxn:4:221572:222459,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C(=O)Nc4ccc([N+](=O)[O-])cc4)ccc3F)cc2)n(C)c1=O,MHUVVNRSLMHBNJ-UHFFFAOYSA-N
rxn:4:221574:222742,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cc3)c(=O)n2C)cc1,GGHOACMVVCLYIZ-UHFFFAOYSA-N
rxn:4:221770:222701,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)cc(C(F)(F)F)c4)cc3)c(=O)n2C)c1,GQRRPNUGSGINRD-UHFFFAOYSA-N
rxn:4:221789:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)cc2)c(C(F)(F)F)c1,PGKWCBZEGGVJOT-UHFFFAOYSA-N
rxn:4:221789:223541,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)n(C)c2=O)cc1,CJQYADTURDDDSQ-UHFFFAOYSA-N
rxn:4:221790:223141,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cncc(C4CCNCC4)c3)cc2)n(C)c1=O,NQIXUMTWIMCROX-UHFFFAOYSA-N
rxn:4:222362:222601,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc7sc(NC(=O)OC(C)(C)C)nc67)cc6[nH]ncc56)nn4)cn3c2)CC1,SDBVSTNIHWSOAH-UHFFFAOYSA-N
rxn:4:222363:225853,Cc1cc(CN2CCN(c3c(-c4ccc(-n5ccnc5C)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RMILXTVIHCAVLV-UHFFFAOYSA-N
rxn:4:222741:222362,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C7CC7)nc(C7CCCNC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,XYFXDTLLGLWGAU-UHFFFAOYSA-N
rxn:4:188018:222423,COc1cc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2C)cc(OC)c1OC,UPRHUXGALIQGFN-UHFFFAOYSA-N
rxn:4:201186:222466,CCCOc1ccc(C2c3c(oc4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,VICUAJVJYRDKQN-UHFFFAOYSA-N
rxn:4:202799:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccc(C(=O)OC)cc3)N(c3nc(C)c(C)s3)C5=O)c(F)cc2C)CC1,LTHSMDMZFUSYQK-UHFFFAOYSA-N
rxn:4:212748:223472,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c2)CCN1C(=O)OC(C)(C)C,GKQTYFFAAYRYJX-UHFFFAOYSA-N
rxn:4:213451:222851,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(CC)nc(C6CCNCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,RLCQFBGKRMPWLE-UHFFFAOYSA-N
rxn:4:213481:222612,COC12CC(COC(=O)c3cncc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)c3)CN(C)C1Cc1cn(C)c3cccc2c13,PAEIYENNSZLUIE-UHFFFAOYSA-N
rxn:4:214388:225265,CCCCOc1c(F)cc(F)c(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c1F,HYBFCBXROXDWDK-UHFFFAOYSA-N
rxn:4:219120:223578,O=C(c1cncc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,ZNYCHPAQILDFBG-UHFFFAOYSA-N
rxn:4:219780:223503,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5c(F)cc(OC6CCN(C(=O)OC(C)(C)C)CC6)cc5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,AKUOJQFHUOJYBA-UHFFFAOYSA-N
rxn:4:219780:223825,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnc(OCc6ccccc6)c(C(F)(F)F)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,DDHFVKJBTUGTCC-UHFFFAOYSA-N
rxn:4:219780:223943,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5c(Cl)c(C)cc6c5cnn6C5CCCCO5)c(C(F)F)cc43)nn2C2CCOCC2)C1,RLIFYRZLNDSWQA-UHFFFAOYSA-N
rxn:4:219780:223989,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cncc(-c6ccc(OC(F)(F)F)cc6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,LAFWRTVASGHRSQ-UHFFFAOYSA-N
rxn:4:219780:224149,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(OCc6ccccc6)c(Cl)c5C)c(C(F)F)cc43)nn2C2CCOCC2)C1,HISYNVDMAQSWQI-UHFFFAOYSA-N
rxn:4:219780:224201,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(Cl)c(C)nc5OCc5ccccc5)c(C(F)F)cc43)nn2C2CCOCC2)C1,CGJGIXBBZXMHRN-UHFFFAOYSA-N
rxn:4:219780:224226,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(Cl)c(OCc6ccccc6)c5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,SQXBQFYPVOWZME-UHFFFAOYSA-N
rxn:4:219780:224581,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(-n6ccc(C)n6)ccc5C5CC5)c(C(F)F)cc43)nn2C2CCOCC2)C1,QNXYAOPJNGRGPV-UHFFFAOYSA-N
rxn:4:219780:225152,COc1cc(-n2cnc(C)c2)ccc1-c1cc2c(cc1C(F)F)N(c1nn(C3CCOCC3)c3c1CN(C(C)=O)CC3)CCC2,HNNBTJHVXZJKDE-UHFFFAOYSA-N
rxn:4:220239:222628,CN1C(=O)[C@@H](N2CCc3c(nn(Cc4ccccc4)c3-c3cc(C4CCC4)nc(C4CCCNC4)c3)C2=O)COc2ccccc21,WIVGWQRURCACBF-AKWYTYQQSA-N
rxn:4:221252:222680,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cccc(NC(=O)OC(C)(C)C)c2OC)cc1,YSKOYPGVKDESCN-UHFFFAOYSA-N
rxn:4:221273:222996,Cn1c(=O)n(Cc2ccc(-c3ccc(F)cc3C3CCCNC3)cc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,RAWOICKBUCJYOO-UHFFFAOYSA-N
rxn:4:221538:223524,COc1ccc2c(c1)c(-c1ccc(Cn3c(CN4CCCCC4C)nc4c3c(=O)n(C)c(=O)n4C)cc1)cn2S(=O)(=O)c1ccc(C)cc1,CEWPDPGZYNONBO-UHFFFAOYSA-N
rxn:4:221560:223841,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5Cc4ccco4)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1,UWAOZWCVGJBAAH-UHFFFAOYSA-N
rxn:4:221785:223007,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(F)cc(C5CCNCC5)c4)cc3)n(C)c2=O)c1,QXJXUAQWJWHPPI-UHFFFAOYSA-N
rxn:4:221788:222847,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C#N)cc(C5CCCNC5)c4)cc3)c(=O)n2C)cc1,JQHPUMYNPQIINF-UHFFFAOYSA-N
rxn:4:221788:223007,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)cc(C5CCNCC5)c4)cc3)c(=O)n2C)cc1,KMCAQYJOVUOGOI-UHFFFAOYSA-N
rxn:4:221986:223680,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(F)c(-c4cccc(C(F)(F)F)c4)cc3OC)cc2)CC1,HQAMSJYKNPVMEJ-UHFFFAOYSA-N
rxn:4:222126:222703,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C(F)(F)F)c(C4CCNCC4)c3)cc2)CC1,PRKSGIWTZTWSAH-UHFFFAOYSA-N
rxn:4:222206:223753,Cc1ccc(-c2ccc(CN3N=C(c4ccc(F)cc4)Cn4c3nc3c4c(=O)n(C)c(=O)n3C)cc2)cc1OCCCN1CCN(C)CC1,JDWXRLUVNNIFLT-UHFFFAOYSA-N
rxn:4:222362:224574,Cc1cnn(-c2ccc(C3CC3)c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)c1,GBPYNNGAOJHLPB-UHFFFAOYSA-N
rxn:4:222363:224019,Cc1cc(CN2CCN(c3c(-c4ccc5c6c(cccc46)-c4ccccc4-5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RVTPUMUYPFOUFB-UHFFFAOYSA-N
rxn:4:222466:214388,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)c(OC)cc12)CC3,QQCYKEPLMAGEPT-UHFFFAOYSA-N
rxn:4:200064:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(C(=O)OCCN4C(=O)c5cccc6c(N7CCCCC7)ccc(c56)C4=O)c3)c(F)cc2C)CC1,MCNUMASOGUXFSC-UHFFFAOYSA-N
rxn:4:207789:222389,CN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,DUNRLHCSCZXWDL-UHFFFAOYSA-N
rxn:4:207934:223570,Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)sc1C,BBPBWVYZTHNGEM-UHFFFAOYSA-N
rxn:4:212742:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2C)c(N2CCCC2)c1,QECUWCBWEFWVJV-UHFFFAOYSA-N
rxn:4:219661:222615,CC(=O)C(C)n1c(-c2cc(CC(C)C)cc(C3CCNCC3)c2)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C,BVBYKVQWYUZSNO-UHFFFAOYSA-N
rxn:4:219780:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc2c(cc1C(F)F)N(c1nn(C3CCOCC3)c3c1CN(C(C)=O)CC3)CCC2,JGFVZPSTCOBTQJ-UHFFFAOYSA-N
rxn:4:219780:223495,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(-c6ccc(-c7ccccc7)cc6)c6ccccc56)c(C(F)F)cc43)nn2C2CCOCC2)C1,CFHJARBTZQQEGQ-UHFFFAOYSA-N
rxn:4:219780:223995,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(N6CCN(C)CC6)cc(C(F)(F)F)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,LMUPVOOUARTQNH-UHFFFAOYSA-N
rxn:4:219780:225148,COc1cc(-n2cc(C)cn2)ccc1-c1cc2c(cc1C(F)F)N(c1nn(C3CCOCC3)c3c1CN(C(C)=O)CC3)CCC2,BOWPOSVXGPRYHP-UHFFFAOYSA-N
rxn:4:219780:225402,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cccc(-c6ccccc6)c5C)c(C(F)F)cc43)nn2C2CCOCC2)C1,ZPVSKQUSSUYOGJ-UHFFFAOYSA-N
rxn:4:219780:225646,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(-n6cnc(C)c6)cc5C)c(C(F)F)cc43)nn2C2CCOCC2)C1,OGGKXSLQFXPBCI-UHFFFAOYSA-N
rxn:4:219780:225766,CCCOc1c(F)cc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)c(C)c1F,OMFDYAXEPQCIFB-UHFFFAOYSA-N
rxn:4:219792:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc4c(c3)c3nc5ccccc5nc3n4CCCN3C(=O)c4ccccc4C3=O)c2)CC1,KTQQZEHURJIPHJ-UHFFFAOYSA-N
rxn:4:220557:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(-c2c(C)nn3c2ncc2c(=O)n(-c4ccccc4F)ccc23)cc1,UOMXPIWRMSHOBX-UHFFFAOYSA-N
rxn:4:221126:222423,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4)nnn3c3ccsc23)C1,UGTMTFWVHMTNQY-UHFFFAOYSA-N
rxn:4:221275:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CC(C)Cn5c4nc4c5c(=O)n(CCCc5ccccc5)c(=O)n4C)cc3)ccc2OC)CC1,FLFRNTHLUDKMPT-UHFFFAOYSA-N
rxn:4:221539:225364,Cc1cc(F)c(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1S(=O)(=O)N(C)C,LBMWJPPSAFXFGK-UHFFFAOYSA-N
rxn:4:221566:222986,CCc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C)nc(C5CCCNC5)c4)cc3)c(=O)n2C)cc1,QYAFEWLMUIDGET-UHFFFAOYSA-N
rxn:4:221781:227298,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)ccc4CN(C)C)cc3)c(=O)n2C)c1C,AQNUIDAJFBOJMM-UHFFFAOYSA-N
rxn:4:221787:222780,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)cc(C(=O)NCCN(C)C)c4)cc3)c(=O)n2C)c1,WAVISIIBGMIIQT-UHFFFAOYSA-N
rxn:4:221994:223604,Cc1cn2c3c(=O)n(Cc4ccc(-c5cccc(Oc6ccc(C(F)(F)F)cc6[N+](=O)[O-])c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,LPYNKAKDGNZBPX-UHFFFAOYSA-N
rxn:4:221995:223620,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cccc6c5sc5c(-c7ccccc7)cccc56)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,RKKVHJOHYLHJRB-UHFFFAOYSA-N
rxn:4:222134:222488,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(NC(=O)OCc6ccccc6)cnc5C)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,ZIDNBNHZQZMVSB-UHFFFAOYSA-N
rxn:4:222144:223660,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1,BHBSBEFFFBSKKF-UHFFFAOYSA-N
rxn:4:222144:224797,CCCCOc1c(F)c(F)c(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)c(F)c1F,WCWOYUGZXGCXQL-UHFFFAOYSA-N
rxn:4:222195:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cccc(Cn4c(N5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)c3)cc2C)CC1,AOIXWIHVFGUTJJ-UHFFFAOYSA-N
rxn:4:222362:223138,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccnc(C7CCNCC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,HWQZSJGYYGTNJH-UHFFFAOYSA-N
rxn:4:222362:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,WUNHYRDUNRNHBM-UHFFFAOYSA-N
rxn:4:222363:223551,Cc1cc(CN2CCN(c3c(-c4ccc(-c5ccc(OCc6ccccc6)cc5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KGMOHKZAFLOJDB-UHFFFAOYSA-N
rxn:4:226132:222362,Cc1cc(C2(C#N)CC2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,MKPYRYQSWPBUIS-UHFFFAOYSA-N
rxn:4:197059:222423,COc1c(-c2ccc(N3C(=O)CC4(CCCC4)C3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZBQPAFXHNBSIDB-UHFFFAOYSA-N
rxn:4:201377:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc([N+](=O)[O-])ccc3Oc3ccc(C#N)cc3)c(F)ncc21,OYEJZRSZOVBSSI-UHFFFAOYSA-N
rxn:4:202729:222389,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,LGGBYIKVHWIRCB-UHFFFAOYSA-N
rxn:4:202804:222466,O=C1c2oc3ccccc3c(=O)c2C(c2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc2)N1CCN1CCOCC1,DDNNDADQWIJQBF-UHFFFAOYSA-N
rxn:4:212754:224283,COC(=O)Cn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)ccc21,WIQVJAJKZIVIRV-UHFFFAOYSA-N
rxn:4:213445:223818,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6c(F)cc(F)c7c6ccn7C(=O)OC(C)(C)C)c(OC)ccc5c4)nc23)cc1OC,FXVOKCVPXFQKHN-UHFFFAOYSA-N
rxn:4:213451:223100,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)NC)ccc5OC)cc43)C(=O)N2c2ccc(CC)cc2)cc1,TUDYLJGSSKKTTE-UHFFFAOYSA-N
rxn:4:219189:223841,COc1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,MZRUIZWCTQKPCX-UHFFFAOYSA-N
rxn:4:219778:223540,CCn1cc(-c2nc(-c3ccc(-c4cc(S(=O)(=O)N5CCC6(CC5)OCCO6)ccc4OC)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,SPGCQVPCANXVCH-UHFFFAOYSA-N
rxn:4:219780:222805,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(F)c(F)c(N6CCC(O)CC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,OAFRYPZGMBTBFH-UHFFFAOYSA-N
rxn:4:219780:222810,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(NC(=O)OC(C)(C)C)ncc5Cl)c(C(F)F)cc43)nn2C2CCOCC2)C1,JCFBVTCONLMINW-UHFFFAOYSA-N
rxn:4:219780:223501,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c(Cl)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,YKGVCMPMOXYHTE-UHFFFAOYSA-N
rxn:4:219780:223534,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(OC6CCN(C(=O)OC(C)(C)C)CC6)ncc5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,QZTYKMMHPJWVOT-UHFFFAOYSA-N
rxn:4:219780:223719,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(OCc6ccccc6)c6ccccc56)c(C(F)F)cc43)nn2C2CCOCC2)C1,IOBKGIMGCFTCFG-UHFFFAOYSA-N
rxn:4:219780:224103,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C(=O)OCc6ccccc6)cc5)c(C(F)F)cc43)nn2C2CCOCC2)C1,OCGRYCSPZLUADR-UHFFFAOYSA-N
rxn:4:219780:224155,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(C6CC6)cc(N6CCN(C)CC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,VLJRKWGEMKUPDE-UHFFFAOYSA-N
rxn:4:219780:224238,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(F)c(OCc6ccccc6)c5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,OLPCHGVKBMQDPS-UHFFFAOYSA-N
rxn:4:221274:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCCc5ccccc5)c(=O)n4C)cc3)c(F)ncc21,MRQAVMOYFYZNOB-UHFFFAOYSA-N
rxn:4:221557:222493,COC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)cc(NC(=O)OCc4ccccc4)c3)cc2)n(C)c1=O,WVYITXHZHQFYAM-UHFFFAOYSA-N
rxn:4:221771:222890,COc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CC(C)CN5c4ccccc4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,WJEGJWGQUWFRIV-UHFFFAOYSA-N
rxn:4:221793:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(N4CC(C)Cn5c4nc4c5c(=O)n(Cc5cccc6ccccc56)c(=O)n4C)cc3)c2)CC1,WKDKUILEHLMNKS-UHFFFAOYSA-N
rxn:4:221920:222486,CCOc1ccc(-c2cncc(-c3cncc(C4CCCCN4)c3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,CGPBHEDCGOPMSR-UHFFFAOYSA-N
rxn:4:221995:223480,Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,HSJIKRRTNXWNFZ-UHFFFAOYSA-N
rxn:4:222362:222996,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(F)cc6C6CCCNC6)cc6[nH]ncc56)nn4)cn3c2)CC1,PSVBZYFZUDRFHL-UHFFFAOYSA-N
rxn:4:222362:223134,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cnccc6C6CCCNC6)cc6[nH]ncc56)nn4)cn3c2)CC1,UTQHKIKEHXZLPC-UHFFFAOYSA-N
rxn:4:222362:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,XCHIMIHHGRYYJN-UHFFFAOYSA-N
rxn:4:222363:224022,Cc1cc(CN2CCN(c3c(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IJDUHZHMYAAHHP-UHFFFAOYSA-N
rxn:4:222623:212751,CCC(C)c1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc(C2CCNCC2)n1,YMHSIFCEJPROJN-UHFFFAOYSA-N
rxn:4:173706:222628,CCCC(=O)c1cc2c(cc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)c3oc(C)c(C(=O)OCC)c32)oc1=O,RHVQKSOEEKPQOV-UHFFFAOYSA-N
rxn:4:184238:222389,CC(C)OCCCN1C(=O)c2oc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3c(=O)c2C1c1ccc(Cl)cc1,UQFDVTBPKYPCTL-UHFFFAOYSA-N
rxn:4:199777:223570,Cc1cc(OC2CN(C(=O)Cc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)C2)cc(=O)n1C1CC1,AFXOVZNNMMPKNP-UHFFFAOYSA-N
rxn:4:202598:222389,CCCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,FUUQIXMHTVEODD-UHFFFAOYSA-N
rxn:4:204950:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C4c5c(oc6c(C)cc(C)cc6c5=O)C(=O)N4Cc4cccnc4)cc3)c(F)cc2C)CC1,TXEZSJLBGSLOQX-UHFFFAOYSA-N
rxn:4:212751:224281,COc1cc(OC)c2cc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(OC)nc2c1,QWPYRPNFZCWUIJ-UHFFFAOYSA-N
rxn:4:213451:222890,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(OC)nc(C6CCCNC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,VEIGWDCGBMZJRB-UHFFFAOYSA-N
rxn:4:219120:222423,COc1c(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ILJSCSIOEMTSBZ-UHFFFAOYSA-N
rxn:4:219709:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3nc4c(c(=O)n(Cc5cccc6ccccc56)c(=O)n4C)n3CC(C)=O)c2)CC1,AIURNIHMZKIOFF-UHFFFAOYSA-N
rxn:4:219778:222389,CCn1cc(-c2nc(-c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,BNYKXKZSENCTEE-UHFFFAOYSA-N
rxn:4:219780:222791,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(NC(=O)OC(C)(C)C)ccc5Cl)c(C(F)F)cc43)nn2C2CCOCC2)C1,BXFLPCGFJXBAGA-UHFFFAOYSA-N
rxn:4:219780:223781,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc6ccn(S(=O)(=O)c7ccccc7)c6c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,JNVPHXDJLIJLLT-UHFFFAOYSA-N
rxn:4:219780:223944,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5c(C)c(Cl)cc6c5cnn6C5CCCCO5)c(C(F)F)cc43)nn2C2CCOCC2)C1,OSHCLNXHVNVWSU-UHFFFAOYSA-N
rxn:4:219780:224151,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(C)c(OCc6ccccc6)c(Cl)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,MURSOQPXLFITPQ-UHFFFAOYSA-N
rxn:4:219780:224743,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5c(F)cc(C(=O)OC(C)(C)C)cc5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,CGWODSUASMAWIT-UHFFFAOYSA-N
rxn:4:221571:222701,Cn1c(=O)n(CC=Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCCNC3)cc(C(F)(F)F)c2)cc1,FKGNPDXTFLZCAQ-UHFFFAOYSA-N
rxn:4:221770:222702,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)c(=O)n2C)c1,HAHQAMHHQCUJHU-UHFFFAOYSA-N
rxn:4:221772:222701,CC1CN(c2ccc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1,PBSXULMOIUZVIX-UHFFFAOYSA-N
rxn:4:221784:224662,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(F)ccc4CN4CCN(C)CC4)cc3)n(C)c2=O)c1,AAIWNYRUUWPDGJ-UHFFFAOYSA-N
rxn:4:221785:224018,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCOCC4)cc3)n(C)c2=O)c1,IMYSRPDJZKYIOR-UHFFFAOYSA-N
rxn:4:221929:223608,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(OC(F)(F)F)c(S(=O)(=O)N6CCOCC6)c5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,LWZIUXUQYXWXNV-UHFFFAOYSA-N
rxn:4:221990:223536,COc1ccc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,BVZVHQCYEBLGPV-UHFFFAOYSA-N
rxn:4:222352:224687,CSc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6cc(F)cc(CN7CCC(=O)CC7)c6)cc5)c(C)nn43)c2=O)[nH]1,FFVIFCWMKBQHBL-UHFFFAOYSA-N
rxn:4:222353:224369,CCc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6cc(S(=O)(=O)N(CC)CC)c(C)cc6F)cc5)c(C)nn43)c2=O)[nH]1,AZRDUFDRKKMWOY-UHFFFAOYSA-N
rxn:4:222362:223565,CN(C)c1ccc(-c2cnc(-c3ccc(-c4cc(-c5cn(Cc6cn7cc(CN8CCC(C)(C)CC8)ccc7n6)nn5)c5cn[nH]c5c4)cc3)o2)cc1,QZFHFWLXMBENDY-UHFFFAOYSA-N
rxn:4:222362:228092,CCN(CC)c1csc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,YZJHITSCSCXLJZ-UHFFFAOYSA-N
rxn:4:222363:222821,Cc1cc(CN2CCN(c3c(-c4ccc(F)c(S(=O)(=O)NC(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IYIKRQSKSJXONY-UHFFFAOYSA-N
rxn:4:222363:224677,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(C(=O)N5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KYWOGUAEEPLRIL-UHFFFAOYSA-N
rxn:4:222363:224823,Cc1cc(CN2CCN(c3c(-c4cc(-c5cscn5)cc(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NAEWNCCZAZFVRL-UHFFFAOYSA-N
rxn:4:222363:225593,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(CN5CCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XELYBKSKESWYFW-UHFFFAOYSA-N
rxn:4:222363:228395,COc1cc(F)c(F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,UGMHLLBOQAKIBA-UHFFFAOYSA-N
rxn:4:222612:222362,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(S(=O)(=O)N7CCC(O)CC7)ccc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,HZXLJOXHLUYELW-UHFFFAOYSA-N
rxn:4:199966:222389,CCCCN1C(=O)C(=C2SC(=S)N(CCOC)C2=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,SZYUPAARTISPRS-UHFFFAOYSA-N
rxn:4:201183:222616,CC(C)(C)c1cc(-c2ccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCCN3CCOCC3)cc2)cc(C2CCNCC2)c1,ALKYSGVMRVYFEH-UHFFFAOYSA-N
rxn:4:202781:222628,Cc1c(CN(C)C)c2c(n1Cc1ccccc1)C(=O)c1ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc1-2,OZBGBQCMZGSVEY-UHFFFAOYSA-N
rxn:4:202800:222538,CC#Cc1cc2c(c(F)c1-c1cc(C3CCCC3)nc(C3CCNCC3)c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,BOPLNSDOLUWDCU-MUUNZHRXSA-N
rxn:4:204560:222423,COc1c(-c2cc3c(cc2[N+](=O)[O-])CN(Cc2ccccc2)C3)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,NNYXLYZNWBFKRN-UHFFFAOYSA-N
rxn:4:212737:223828,CCN1CCN(c2cc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc(C(F)(F)F)c2)CC1,VIYRDJVQQZRKME-UHFFFAOYSA-N
rxn:4:212751:224055,Cc1cc(OCc2ccccc2)cc(C)c1-c1cc(CN2CCC(F)(F)CC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,PMIARQRKOFLAMG-UHFFFAOYSA-N
rxn:4:213445:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2c(OC)ccc3cc(-c4nc5c(-c6ccc(OC)c(OC)c6)cnn5cc4C)ccc23)CC1,PPERCXADXVXSTA-UHFFFAOYSA-N
rxn:4:219209:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc4c(c3)c3nc5ccccc5nc3n4CC(=O)N(c3ccccc3)C(C)C)c2)CC1,SNTLTKIBEGVULA-UHFFFAOYSA-N
rxn:4:219780:222690,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(F)cc(C(=O)Nc6ccccn6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,SHPGVJGLMSZGQS-UHFFFAOYSA-N
rxn:4:219780:222706,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(C6CCNCC6)ccc5C(F)(F)F)c(C(F)F)cc43)nn2C2CCOCC2)C1,OBAPGVZPOZRGNU-UHFFFAOYSA-N
rxn:4:219780:223592,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)cc5Cl)c(C(F)F)cc43)nn2C2CCOCC2)C1,GYAOREKUTBIVNJ-UHFFFAOYSA-N
rxn:4:219780:223750,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc6cccnc6c5O[Si](C)(C)C(C)(C)C)c(C(F)F)cc43)nn2C2CCOCC2)C1,LBIMHEUYFRISFV-UHFFFAOYSA-N
rxn:4:219780:224074,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc6c(cnn6Cc6ccccc6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,JYEOSOQRMNLIBP-UHFFFAOYSA-N
rxn:4:219780:224448,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cccc(C)c5OCc5ccccc5)c(C(F)F)cc43)nn2C2CCOCC2)C1,OKNKVGHLEZNSAG-UHFFFAOYSA-N
rxn:4:220243:223753,Cc1ccc(-c2ccc(-c3noc(-c4cn(C)c5cc(N6CCC(C)CC6)c(F)cc5c4=O)n3)cc2)cc1OCCCN1CCN(C)CC1,ARJPLJPWBGTWLA-UHFFFAOYSA-N
rxn:4:221575:222889,CC1CN(c2ccc(-c3cc(F)cc(CN4CCNCC4)c3)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,LCXSWOGOPQZGQD-UHFFFAOYSA-N
rxn:4:221781:222846,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C#N)cc3)c(=O)n2C)c1C,KLBUNXTYRPSSKK-UHFFFAOYSA-N
rxn:4:221791:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)cc2)c(F)cc1C,PGJVKFXFEMSXLG-UHFFFAOYSA-N
rxn:4:221990:222537,COc1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,IXQJYWIJTBJOGN-UHFFFAOYSA-N
rxn:4:221995:225079,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc6cc(OC(F)F)ccc6c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,XCRQZLIMGIEXLJ-UHFFFAOYSA-N
rxn:4:221995:226751,Cc1cc(OC(F)(F)F)ccc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,KYPHKDFMPQYXLH-UHFFFAOYSA-N
rxn:4:222195:223580,COC(=O)c1ccc2c(c1)cc(-c1cccc(Cn3c(N4CCN(C)CC4)nc4c3c(=O)n(C)c(=O)n4C)c1)n2C(=O)OC(C)(C)C,OXCTYRJZUBWUHK-UHFFFAOYSA-N
rxn:4:222262:223840,COc1ccc(-c2cc(-c3noc(Cn4cnc5c(nnn5Cc5cccc(F)c5)c4=O)n3)ccc2F)cc1S(=O)(=O)N1CCN(C)CC1,HKTYPFKPMUGFKI-UHFFFAOYSA-N
rxn:4:222362:222578,Cc1ccc(NC(=O)c2cccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)c(Cl)c1,OWFDSUFSMZXTCH-UHFFFAOYSA-N
rxn:4:222362:223697,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(S(=O)(=O)N7CCCCC7)cc6C(F)(F)F)cc6[nH]ncc56)nn4)cn3c2)CC1,SWCAANFMYOGYRL-UHFFFAOYSA-N
rxn:4:222363:222707,Cc1cc(CN2CCN(c3c(-c4ccnc(CNC(=O)OC(C)(C)C)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LFQMWDWNCLJRJW-UHFFFAOYSA-N
rxn:4:222363:223641,CCc1cc2c(cc1F)cc(-c1cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c1N1CCN(Cc3cc(C)on3)CC1)n2C(=O)OC(C)(C)C,MQAUZLOZXVUWCZ-UHFFFAOYSA-N
rxn:4:222363:224144,Cc1ccc(OCc2ccccc2F)c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1,FCJPDHLCKLFEKM-UHFFFAOYSA-N
rxn:4:222363:224279,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)ncn5C(=O)OC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QBZYAWPPFHNKLK-UHFFFAOYSA-N
rxn:4:222363:228634,Cc1cc(CN2CCN(c3c(-c4c(C)cc(Cl)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XUYFSFWZFIGOMZ-UHFFFAOYSA-N
rxn:4:202514:222389,C#CCn1c(=NC(=O)c2ccccc2-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)sc2cc(C)ccc21,CHJYCBBEUXRYGS-UHFFFAOYSA-N
rxn:4:202596:222389,CCCN1C(=O)C(=C2C(=O)N(CCC)c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc32)SC1=S,HIOOHRAJHHXROY-UHFFFAOYSA-N
rxn:4:202800:222465,CC#Cc1cc2c(c(F)c1-c1cc(C3CCCCC3)nc(C3CCCNC3)c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,UWRTURANIWOBAT-BNGNXUGRSA-N
rxn:4:202806:222389,CCOc1cccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,IPPDISWKCOPWPK-UHFFFAOYSA-N
rxn:4:212748:223725,CCCCCc1ccc(-c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2)cc1,HZBNHRWLWYPZGK-UHFFFAOYSA-N
rxn:4:213408:223570,CC(C)CN1C(=O)C(=Cc2c(Oc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)nc3ccccn3c2=O)SC1=S,FLNRAYIHXUGCQQ-UHFFFAOYSA-N
rxn:4:214386:224398,COc1cc(OC)c2cc(C(=O)N3CCc4[nH]c5c(-c6cc(S(=O)(=O)N7CCCC7)c(C)cc6F)cccc5c4C3)n(C)c2c1,VXGHCELCKQFGLU-UHFFFAOYSA-N
rxn:4:214388:223815,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(Cl)c(CN5CCC6(CC5)OCCO6)c4)c(OC)cc12)CC3,JVMIXEMVJVKQQK-UHFFFAOYSA-N
rxn:4:218778:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(Cl)cc4c3nc(N3CC5(CN(C(=O)OC(C)(C)C)C5)C3)n4Cc3cc(C)c(F)c(C)c3)c2)CC1,QCEFJGVJMYJHEK-UHFFFAOYSA-N
rxn:4:218783:222423,CCc1nc2c3cc(OC)c(OC)cc3nc(SCc3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)n2n1,DBJSSPDZADQTAO-UHFFFAOYSA-N
rxn:4:219181:222389,Cn1c(=O)c2c(SCc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)nc(CC(C)(C)C)nc2n(C)c1=O,PKQYKLACAUAXLW-UHFFFAOYSA-N
rxn:4:219189:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(OC)c(-c3nc(Cn4ccn5nc(-c6ccc(C)c(C)c6)cc5c4=O)c(C)o3)c2)CC1,FKBOKBNIPPBGCS-UHFFFAOYSA-N
rxn:4:219545:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCCN(c5cc(-c6ccc(Cl)cc6)n[nH]5)CC4)o3)ccc2C)CC1,UDNMBDZOZKHBJG-UHFFFAOYSA-N
rxn:4:219780:222403,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cccc(NC(=S)NC(C)C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,ILYRGVFVVMCIHM-UHFFFAOYSA-N
rxn:4:219780:223499,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(Cl)c(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,ZAGOHULDECNJGJ-UHFFFAOYSA-N
rxn:4:219780:223657,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cn(S(=O)(=O)c6ccc(C)cc6)c6ccncc56)c(C(F)F)cc43)nn2C2CCOCC2)C1,UMDBBBNPVAHBGC-UHFFFAOYSA-N
rxn:4:219780:224137,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(OCc6ccc(Cl)cc6)c(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,UWJKDIYBEUOFTN-UHFFFAOYSA-N
rxn:4:219780:225150,COc1cc(-n2ccc(C)n2)ccc1-c1cc2c(cc1C(F)F)N(c1nn(C3CCOCC3)c3c1CN(C(C)=O)CC3)CCC2,POWKQRMNOBERIZ-UHFFFAOYSA-N
rxn:4:221116:222486,CCOc1ccc(-c2cncc(-c3cncc(C4CCCCN4)c3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,MTUIRWHWEVSUBU-UHFFFAOYSA-N
rxn:4:221252:223482,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1,QFELJFHPJGJELW-UHFFFAOYSA-N
rxn:4:221266:223991,CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(-c5c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c5F)cc4)c(C)c(C)n23)n(C)c1=O,GINVSDXBIXJFHY-UHFFFAOYSA-N
rxn:4:221277:222850,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCNCC4)ccc3C#N)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,FTBYYIMRSYHDHN-UHFFFAOYSA-N
rxn:4:221539:224298,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc2)CC(C)O1,AQWYSXSODQJDJL-UHFFFAOYSA-N
rxn:4:221570:222822,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)NC5CC5)c(C)cc4F)cc3)c(=O)n2C)c1,JCGDQLRIGLLTDY-UHFFFAOYSA-N
rxn:4:221758:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)cc1,LIRHVLKMZZOMNY-UHFFFAOYSA-N
rxn:4:221768:222985,Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(C5CCCNC5)nc4C)cc3)c(=O)n2C)cc1C,ZESOUXONJGFVEF-UHFFFAOYSA-N
rxn:4:221788:223057,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(Cl)nc(C5CCCNC5)c4)cc3)c(=O)n2C)cc1,BWYISLWESUYCPZ-UHFFFAOYSA-N
rxn:4:222135:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(OC)c(-c4nnc5n(Cc6ccccc6)c6c(=O)n(C)c(=O)n(C)c6n45)c3)c2)CC1,VIOPSYZHANHVDW-UHFFFAOYSA-N
rxn:4:222138:223925,Cc1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCOCC4)c(=O)n3C)cc2)c(F)c(OCc2ccccc2)c1F,FYOZWIKXZLDSBB-UHFFFAOYSA-N
rxn:4:222143:223908,COc1ccc(COc2cc(Cl)ccc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCCCC4)c(=O)n3C)cc2)cc1,XJZSGAFDWKDDIE-UHFFFAOYSA-N
rxn:4:222195:222624,CC(C)Cc1cc(-c2cccc(Cn3c(N4CCN(C)CC4)nc4c3c(=O)n(C)c(=O)n4C)c2)cc(C2CCNCC2)n1,XHVAYQDSDPTQRJ-UHFFFAOYSA-N
rxn:4:222362:223903,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccccc6CCC(=O)N6CCC(=O)CC6)cc6[nH]ncc56)nn4)cn3c2)CC1,GLVWVJBKORBZIM-UHFFFAOYSA-N
rxn:4:222362:224061,CCCC1CCC(c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(F)c2)CC1,QQHNAOKBASUBGB-UHFFFAOYSA-N
rxn:4:222362:224308,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(F)c(O[Si](C)(C)C(C)(C)C)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,JFDPIQXMGMTOON-UHFFFAOYSA-N
rxn:4:222362:224621,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OCCN7CCSCC7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,MLHZDRVYTNHXBO-UHFFFAOYSA-N
rxn:4:200053:222537,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1cccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)c1,OFEMPWYLBFXHSD-UHFFFAOYSA-N
rxn:4:200058:223694,CCOc1cc(C=c2sc3nc4ccccc4n3c2=O)cc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)c(C)cc2F)c1OCc1ccc(C)cc1,REUQSJXVIHGXFH-UHFFFAOYSA-N
rxn:4:201189:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C4c5c(oc6cc(OC)ccc6c5=O)C(=O)N4CCN4CCOCC4)cc3)c(F)cc2C)CC1,GSRRRYQYMCDVIG-UHFFFAOYSA-N
rxn:4:202623:222423,COc1c(-c2ccc3c(c2)sc(=NC(=O)c2ccc(OC(C)C)cc2)n3C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XKRYJJMQRPYQML-UHFFFAOYSA-N
rxn:4:202703:222389,CCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,DHYDENLUOYSLPL-UHFFFAOYSA-N
rxn:4:204691:222423,CCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,DWLBHBFEADHDPM-UHFFFAOYSA-N
rxn:4:212751:223728,CCCCCC1CCC(c2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2)CC1,BGHQOBVPEPXRJV-UHFFFAOYSA-N
rxn:4:212839:222891,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(OC)nc(C5CCNCC5)c4)ccn23)CC1,RGRZIZSXZBKVBG-UHFFFAOYSA-N
rxn:4:212839:223845,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)ccn23)CC1,WEOGQOPPMLOTJO-UHFFFAOYSA-N
rxn:4:212839:223887,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4c(C)c5ccccc5n4C(=O)OC(C)(C)C)ccn23)CC1,NYOAXTDGZWUPJT-UHFFFAOYSA-N
rxn:4:213445:223994,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(S(=O)(=O)N7CCN(C)CC7)ccc6C)c(OC)ccc5c4)nc23)cc1OC,JKJCBRGETKAUKO-UHFFFAOYSA-N
rxn:4:214344:222423,COc1ccc(N2C(=O)C3ON(c4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4)C(c4cccnc4)C3C2=O)cc1,BTBSFLHGWLKPTI-UHFFFAOYSA-N
rxn:4:214388:223063,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(F)nc(C5CCNCC5)c4)c(OC)cc12)CC3,BDSWYYJBWMNMOK-UHFFFAOYSA-N
rxn:4:215303:223694,CCCN1CCC2(CC1)Oc1ccc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)c(C)cc3F)cc1C1CC(c3ccc4ccccc4c3)=NN12,MMSWAHHZMKWSDI-UHFFFAOYSA-N
rxn:4:216352:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4ncc5c(-c6ccc(C)cc6)nn(-c6ccc(C)c(C)c6)c5c4c3)c3ccccc23)CC1,DICFINDNGUDWNS-UHFFFAOYSA-N
rxn:4:219208:222423,CCC(Sc1nc2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2c2nc3ccccc3n12)C(=O)N1CCOCC1,LDHPSAHTTGDFRP-UHFFFAOYSA-N
rxn:4:219780:222714,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(NC(=O)OC(C)(C)C)cc(F)c5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,DJDPKNPIRYHFAR-UHFFFAOYSA-N
rxn:4:219780:224183,COc1ccc(COc2ccc(-c3cc4c(cc3C(F)F)N(c3nn(C5CCOCC5)c5c3CN(C(C)=O)CC5)CCC4)cn2)cc1,SDNOYKMFQHUHID-UHFFFAOYSA-N
rxn:4:220270:222622,CCC(C)c1cc(-c2ccc3c(c2)c2nc4ccccc4nc2n3CCN2CCOCC2)cc(C2CCCNC2)n1,BXQVJLNGGVBAPL-UHFFFAOYSA-N
rxn:4:221567:224662,CN1CCN(Cc2ccc(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCc4ccccc4)c(=O)n3C)cc2)CC1,ZUCZRDJPTUPUPR-UHFFFAOYSA-N
rxn:4:221568:222891,COc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5Cc4ccccc4)n(C)c3=O)cc2)cc(C2CCNCC2)n1,IEQRUDRPPCPHPL-UHFFFAOYSA-N
rxn:4:221778:224687,CC1CN(c2ccc(-c3cc(F)cc(CN4CCC(=O)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1,GGRBZPLDUGSPRZ-UHFFFAOYSA-N
rxn:4:221793:222465,CC1CN(c2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1,ARPXDQPOVWGEJY-UHFFFAOYSA-N
rxn:4:221994:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,DRUIDZLJQPHECP-UHFFFAOYSA-N
rxn:4:222132:222465,COc1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,FROQKBKKFWNKKL-UHFFFAOYSA-N
rxn:4:222137:224155,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(C3CC3)cc(N3CCN(C)CC3)c2)cc1,KQHXWJXDLKYVEF-UHFFFAOYSA-N
rxn:4:222138:223989,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)cc1,NOPMWYKLOBTFPX-UHFFFAOYSA-N
rxn:4:222142:223970,Cc1ccc(-c2ccc(-n3c(C)cn4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cc1S(=O)(=O)N1CCC(C)CC1,AXQQIGRWHWEPHO-UHFFFAOYSA-N
rxn:4:222143:222452,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)c(NC(=O)OCc3ccccc3)c2)cc1,MKWYAVHPEGACKA-UHFFFAOYSA-N
rxn:4:222143:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCCCC4)c(=O)n3C)cc2)CC1,WSRRWMJFJUJQHD-UHFFFAOYSA-N
rxn:4:222362:224062,Cc1ccc(C)c(COc2cccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)c1,FMCZBMJHDKWSFF-UHFFFAOYSA-N
rxn:4:222363:223506,Cc1cc(CN2CCN(c3c(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BOVPUNNIXVCJNE-UHFFFAOYSA-N
rxn:4:222363:223517,Cc1cc(CN2CCN(c3c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GSQRPYLOCUICES-UHFFFAOYSA-N
rxn:4:222363:225242,Cc1cc(CN2CCN(c3c(-c4cnc(Cl)c(-c5ccc(F)cc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DSHILGWOGXDDMO-UHFFFAOYSA-N
rxn:4:222363:225938,Cc1cc(CN2CCN(c3c(-c4cc(C(F)(F)F)ncc4C4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HMWZZOXEMZVBFQ-UHFFFAOYSA-N
rxn:4:185000:222423,COc1c(-c2ccc(OCc3ccccc3)c(C(=O)N(C)C)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BJQQNZUQUDGXQS-UHFFFAOYSA-N
rxn:4:201164:222423,COc1c(-c2cccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCCN(C)C)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FPAQWYNJTJUYPI-UHFFFAOYSA-N
rxn:4:204690:222538,CCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cc32)SC1=S,IXIKBGUGMLYARN-UHFFFAOYSA-N
rxn:4:213450:224721,Cc1nc2ccc(-c3c(C)nn(CC(=O)OC(C)(C)C)c3C)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,IXKZDXUZBFMUMM-UHFFFAOYSA-N
rxn:4:214377:222423,COc1c(-c2ccc(C3c4c(oc5ccccc5c4=O)C(=O)N3c3nnc(CC(C)C)s3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZEDCLQGQTWITHT-UHFFFAOYSA-N
rxn:4:214388:223028,CCCNC(=O)c1ccc(F)c(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c1,RFFNCFBFEGVXMF-UHFFFAOYSA-N
rxn:4:214388:227699,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(OC)nc(OC)c4Cl)c(OC)cc12)CC3,JNEKZSHCYDIUHR-UHFFFAOYSA-N
rxn:4:218713:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(C)nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1C,UQJQWEHCLBRDPS-UHFFFAOYSA-N
rxn:4:219545:223834,Cc1cc(-c2ccc(C(=O)N3CCCN(c4cc(-c5ccc(Cl)cc5)n[nH]4)CC3)o2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,SSIDRPMYBCJONE-UHFFFAOYSA-N
rxn:4:219618:224664,CN1CCN(Cc2cc(F)cc(-c3ccc(-n4ccn5c(SCc6ccc(F)cc6)nnc5c4=O)cc3)c2)CC1,UMLUUJVAVQARJM-UHFFFAOYSA-N
rxn:4:219773:223534,CCn1cc(-c2nc(-c3cccc(-c4cc(OC5CCN(C(=O)OC(C)(C)C)CC5)ncc4F)c3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21,AKTBYWCGDPTKED-UHFFFAOYSA-N
rxn:4:219780:223758,COc1cc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)cc(OC)c1OCc1ccccc1,SENGNXZQDSBAAI-UHFFFAOYSA-N
rxn:4:219780:224446,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(OCc6ccccc6)ccc5C)c(C(F)F)cc43)nn2C2CCOCC2)C1,HPTRLDUFSLMMON-UHFFFAOYSA-N
rxn:4:221277:222702,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,FLDIMLOBPLPQMP-UHFFFAOYSA-N
rxn:4:221538:223488,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc3cc(Oc4ccccc4)ccc3n2C(=O)OC(C)(C)C)cc1,UTLIPDGZLKYGGR-UHFFFAOYSA-N
rxn:4:221539:222729,CCCc1cc(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc(C2CCCNC2)n1,LVOABWHCKNRRFT-UHFFFAOYSA-N
rxn:4:221761:222486,Cn1c(=O)n(Cc2c(F)cccc2Cl)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cncc(-c3cncc(C4CCCCN4)c3)c2)cc1,CYWXWPTXXOUHST-UHFFFAOYSA-N
rxn:4:221770:222389,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c1,ZUNBMOSPYZIOFO-UHFFFAOYSA-N
rxn:4:221784:222701,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(C5CCCNC5)cc(C(F)(F)F)c4)cc3)n(C)c2=O)c1,QLZYRECGPGVUEX-UHFFFAOYSA-N
rxn:4:221785:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4cccc(C)c4)c(=O)n3C)cc2)c(C(F)(F)F)c1,WBDJMPBOSKYTJB-UHFFFAOYSA-N
rxn:4:221929:222488,Cc1ncc(NC(=O)OCc2ccccc2)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,UDDHOHNGNFDWDL-UHFFFAOYSA-N
rxn:4:221987:222466,COCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)ccc3OC)nnc12,XMJKXERKLVSUGE-UHFFFAOYSA-N
rxn:4:221995:225288,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(OC(C)C)cc5C(F)(F)F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,NVVWJHBCWXNYGR-UHFFFAOYSA-N
rxn:4:222138:223943,Cc1cc2c(cnn2C2CCCCO2)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCOCC4)c(=O)n3C)cc2)c1Cl,UFIXDBNDBUPZSX-UHFFFAOYSA-N
rxn:4:222138:223986,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cccc(Oc3ccc(F)cc3[N+](=O)[O-])c2)cc1,ZHEJLXJTVJDANR-UHFFFAOYSA-N
rxn:4:222144:224293,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1,LIFQNBFUIGRHAB-UHFFFAOYSA-N
rxn:4:222144:225592,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)ccc2CN2CCCC2)cc1,NRCQUTGWNWKYIX-UHFFFAOYSA-N
rxn:4:222195:224195,CCN1CCN(Cc2cc(-c3cccc(Cn4c(N5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)c3)ccc2Cl)CC1,DISGSEWCOYAMCE-UHFFFAOYSA-N
rxn:4:222249:223570,CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6c(F)ncc7c6ccn7[Si](C(C)C)(C(C)C)C(C)C)o5)CC4)ncnc32)cc1,XPMPFMBLJFSCKD-UHFFFAOYSA-N
rxn:4:222362:228867,CCc1nc(OC)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)s1,HFSUTDCHKATECP-UHFFFAOYSA-N
rxn:4:222363:223537,Cc1cc(CN2CCN(c3c(-c4cc5cc(OC(F)(F)F)ccc5n4C(=O)OC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RMZSRAWNUSPTCS-UHFFFAOYSA-N
rxn:4:222363:225308,Cc1cc(CN2CCN(c3c(-c4cc(C(F)(F)F)cc(C5CC5)c4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HPLDBMBFJYQHJX-UHFFFAOYSA-N
rxn:4:184162:222423,COc1c(-c2cc(N(C(C)=O)S(=O)(=O)c3ccc4ccccc4c3)ccc2OC(C)=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ITCHWNMVGUYMQP-UHFFFAOYSA-N
rxn:4:191196:222465,Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(-c2cc(C4CCCCC4)nc(C4CCCNC4)c2)cc1)N(CC1CCCO1)C3=O,PLDWRUZCRFINJA-UHFFFAOYSA-N
rxn:4:201187:223532,CCCOc1cccc(C2c3c(oc4ccc(-c5cc(F)cc(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,PXHMZFIKGVOAEI-UHFFFAOYSA-N
rxn:4:202485:222423,COC(=O)c1cc(C#N)c2oc(-c3cccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)c3C)nc2c1,KHVMHNVOQGCHFM-UHFFFAOYSA-N
rxn:4:202694:222624,CCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)ccc21,VBPATSQYKJJYDI-UHFFFAOYSA-N
rxn:4:212745:224229,CC1CN(c2cc(CN3CCOCC3)cc(-c3cc(F)c(OCc4ccccc4)c(Cl)c3)c2)CCN1C(=O)OC(C)(C)C,FSMLFOLQJNDOOF-UHFFFAOYSA-N
rxn:4:212748:224702,Cc1c(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc(F)c(OC2CCCC2)c1F,NYQMJAGGKJXDKO-UHFFFAOYSA-N
rxn:4:212820:222602,COCCn1c(=NC(=O)c2cc(-c3cccs3)nc3ccccc23)sc2cc(-c3cc(CC(C)C)sc3S(=O)(=O)NC(C)(C)C)ccc21,PSUFLVLORYGOLL-UHFFFAOYSA-N
rxn:4:213451:224950,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OC)cc5CN5CCCC5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,OGOUQIXSTODLDU-UHFFFAOYSA-N
rxn:4:215310:222442,CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)C2c2ccc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)cc2)c2ccccc21,AEXFOWXNNBVOSZ-UHFFFAOYSA-N
rxn:4:218764:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2Cc2ccccc2Cl)CC1,BQWDQSPKQVZYMP-UHFFFAOYSA-N
rxn:4:219186:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(-c3nnc4sc(CN5CCC(Cc6ccccc6)CC5)cn34)c2)CC1,ONDYQGUKRORYKR-UHFFFAOYSA-N
rxn:4:219545:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C(=O)N4CCCN(c5cc(-c6ccc(Cl)cc6)n[nH]5)CC4)o3)c2)CC1,SZUWYDQVBLZHGO-UHFFFAOYSA-N
rxn:4:219780:223629,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(COc6ccc(Cl)c7ccccc67)cc5)c(C(F)F)cc43)nn2C2CCOCC2)C1,NJYRCRIPCJLUMU-UHFFFAOYSA-N
rxn:4:219780:223651,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C6CCN(C(=O)OC(C)(C)C)C6)nc5C)c(C(F)F)cc43)nn2C2CCOCC2)C1,XTVMFAOKMQYKBA-UHFFFAOYSA-N
rxn:4:221252:223685,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(OC(F)(F)F)c(OCc3cccnc3)c2)cc1,RUUUYFCUCRDQNV-UHFFFAOYSA-N
rxn:4:221277:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6c5ccc(Oc6ccccc6)cc5)n(C)c4=O)cc3)c(F)cc2C)CC1,IDZOWRKZFOFNES-UHFFFAOYSA-N
rxn:4:221574:224405,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCCC4)cc3)c(=O)n2C)cc1,GYCFUCONDNNNOK-UHFFFAOYSA-N
rxn:4:221783:222465,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c1,HKBPLWJQLAXTHV-UHFFFAOYSA-N
rxn:4:221784:222538,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cc3)n(C)c2=O)c1,BWBHLMLZRHCEQV-UHFFFAOYSA-N
rxn:4:221929:224303,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(O[Si](C)(C)C(C)(C)C)c(F)c5F)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,VZQIOETUWQWLBY-UHFFFAOYSA-N
rxn:4:221988:222465,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)ccc3OC)nnc12,BBWKYBMKPAXHPW-UHFFFAOYSA-N
rxn:4:221990:222701,COc1ccc(-c2cc(C3CCCNC3)cc(C(F)(F)F)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,YAQPZDQRNIGCQK-UHFFFAOYSA-N
rxn:4:221995:225081,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(OC(F)F)c6ccccc56)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,OQWPMPXAWIVWCH-UHFFFAOYSA-N
rxn:4:222110:222424,CC#CCn1c(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,KXAYCRQGGJTITH-UHFFFAOYSA-N
rxn:4:222132:222439,COc1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,HZORJTORYJNDNZ-UHFFFAOYSA-N
rxn:4:222138:223971,CC1CCN(c2cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCN5CCOCC5)c(=O)n4C)cc3)cc(C(F)(F)F)c2)CC1,KKHLGEBTZVJCPZ-UHFFFAOYSA-N
rxn:4:222143:224290,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1,WKSYGGSBOQQOKA-UHFFFAOYSA-N
rxn:4:222144:223691,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3cccnc3)c(C(F)(F)F)cc2Cl)cc1,JZPVLBUOYNKMFA-UHFFFAOYSA-N
rxn:4:222144:225364,Cc1cc(F)c(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cc1S(=O)(=O)N(C)C,KYPBQSLQLMMBRQ-UHFFFAOYSA-N
rxn:4:222272:222466,Cc1ccc(Cn2nnc3c(=O)n(Cc4nc(-c5ccc(F)c(-c6cc(C7CCCCC7)nc(C7CCNCC7)c6)c5)no4)cnc32)cc1,LIWYBHWVLFHIJV-UHFFFAOYSA-N
rxn:4:222362:223667,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OC(F)(F)F)cc6OCc6ccccc6)cc6[nH]ncc56)nn4)cn3c2)CC1,NPYYXBPJTCIVTL-UHFFFAOYSA-N
rxn:4:222362:223834,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,RJAYFSTUHTUPGH-UHFFFAOYSA-N
rxn:4:222363:223866,Cc1cc(CN2CCN(c3c(-c4ccccc4CN4C(C)(C)CCCC4(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GXIXJHGNUZFDCC-UHFFFAOYSA-N
rxn:4:222363:228951,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ASKKAQZEYDRWLG-UHFFFAOYSA-N
rxn:4:178565:222423,COc1c(-c2ccc(-c3c(C)oc4cc(OC(C)=O)ccc4c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KFVFCWYXKFRGGW-UHFFFAOYSA-N
rxn:4:187934:222423,COc1ccc(CN2Cc3cc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)ccc3OCC2=O)c(OC)c1,IGQGLQRPHZGBTQ-UHFFFAOYSA-N
rxn:4:201132:222423,COc1ccc2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc2c1CC(=O)N(C)C1CCN(C)CC1,YPQABSUHZCJVIA-UHFFFAOYSA-N
rxn:4:202339:222423,COc1c(-c2ccc(-c3nc(S(=O)(=O)N4CCCC(C)C4)c(-c4ccc(Cl)cc4)o3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CYOFIULBQRXZGK-UHFFFAOYSA-N
rxn:4:202784:223578,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cnc(N6CCCCC6)nc5OCc5ccccc5)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1,PRINKICLFOFQJZ-UHFFFAOYSA-N
rxn:4:202810:222423,COc1ccc(OC)c(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,ZFBRYKXZLQLEOL-UHFFFAOYSA-N
rxn:4:212712:222423,COc1c(-c2ccc(-c3cnc(SCC(=O)N4CCCCC4)n3-c3ccccc3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HQEPTEMDWSODAC-UHFFFAOYSA-N
rxn:4:212748:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1cc(CN2CCCCC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,UARIULITISUSDX-UHFFFAOYSA-N
rxn:4:212846:224670,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(CN6CCN(C)CC6)ccc5F)cc4)n(Cc4ccco4)c(=O)c23)C1,VKJGXJWYOTZVSH-UHFFFAOYSA-N
rxn:4:213445:223570,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6c(F)ncc7c6ccn7[Si](C(C)C)(C(C)C)C(C)C)c(OC)ccc5c4)nc23)cc1OC,ULFOQAQLCFQUDW-UHFFFAOYSA-N
rxn:4:213480:224013,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(-c5ccc(C(F)(F)F)cc5)nc4Cl)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,MWHDRDDUCRALTK-AVSRAWEBSA-N
rxn:4:214344:223570,COc1ccc(N2C(=O)C3ON(c4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)C(c4cccnc4)C3C2=O)cc1,WACHNEHYDOSQRK-UHFFFAOYSA-N
rxn:4:214362:224835,CCn1cc(-c2nc(-c3ccc(-c4cc(C(F)(F)F)nn4S(=O)(=O)N(C)C)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,KSKKPCUTQQSUFJ-UHFFFAOYSA-N
rxn:4:214388:223363,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cnc5[nH]nc(C)c5c4)c(OC)cc12)CC3,YHMPFFGUCQWUSN-UHFFFAOYSA-N
rxn:4:218764:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3nc4c(c(=O)n(CCCc5ccccc5)c(=O)n4C)n3Cc3ccccc3Cl)c2)CC1,UBKMCFWAWXETRO-UHFFFAOYSA-N
rxn:4:219189:222694,COc1ccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,WCZYXXASEHIBCT-UHFFFAOYSA-N
rxn:4:219780:222811,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(Cl)nc(NC(=O)OC(C)(C)C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,XHDGEHCQRIBKHG-UHFFFAOYSA-N
rxn:4:221761:224670,CN1CCN(Cc2ccc(F)c(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5c(F)cccc5Cl)c(=O)n4C)cc3)c2)CC1,FURIALOZYYMUHR-UHFFFAOYSA-N
rxn:4:221765:222700,Cc1ccc(Cn2c(=O)c3c(nc4n(-c5ccc(-c6ccc(C(F)(F)F)cc6C6CCCNC6)cc5)c(C)cn34)n(C)c2=O)cc1,GPUXPUQJGREYKW-UHFFFAOYSA-N
rxn:4:221772:222996,CC1CN(c2ccc(-c3ccc(F)cc3C3CCCNC3)cc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1,OKOSWYWCVWERSH-UHFFFAOYSA-N
rxn:4:221782:223063,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c(C)c1,GMJYJBNZHVTQIM-UHFFFAOYSA-N
rxn:4:221791:223105,CNS(=O)(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)cc2)c(F)cc1C,XWZLNTRVAAQWKX-UHFFFAOYSA-N
rxn:4:221986:223479,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc2)CC1,WWBRXQBPTTUGDI-UHFFFAOYSA-N
rxn:4:222133:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(-c2nnc3n(CCc4ccccc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,ZKELUXKCNVITJO-UHFFFAOYSA-N
rxn:4:222135:222537,COc1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,RUTHALMXMYSZKP-UHFFFAOYSA-N
rxn:4:222245:222700,CCOc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5ccccc5-c5ccc(C(F)(F)F)cc5C5CCCNC5)no4)cnc32)cc1,NHOOGIPYDJTHSJ-UHFFFAOYSA-N
rxn:4:222250:222700,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(C(F)(F)F)cc5C5CCCNC5)cc4)c(=O)n(C)c3nc2n1CCCn1ccnc1,HKRLDWVUAFRKEC-UHFFFAOYSA-N
rxn:4:222339:222483,Cc1ccc(NC(=O)c2ccc(F)c(-c3cncc(N4CCN(c5cc(N6CCN(C)CC6)nc(C)n5)CC4)c3)c2)c(C)c1,ILFRSQSHQTWKME-UHFFFAOYSA-N
rxn:4:222362:223159,CCNC(=O)c1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1Cl,BHIVDWALSYACPZ-UHFFFAOYSA-N
rxn:4:222362:224114,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)ccc6OCCc6ccccc6)cc6[nH]ncc56)nn4)cn3c2)CC1,SAVBSNQXVOHBGB-UHFFFAOYSA-N
rxn:4:222363:224464,CCc1ccc(-c2ccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c(F)c2)cc1,CGGGOQACVJGUCV-UHFFFAOYSA-N
rxn:4:174361:222423,COc1ccc(OS(=O)(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)c(OC)c2)cc1,DPGJEJFQGKGELA-UHFFFAOYSA-N
rxn:4:176277:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3ccccc3)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MUTAVTTYPWOTHG-UHFFFAOYSA-N
rxn:4:176288:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3ccccc3F)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SRSIGYINULZFOP-UHFFFAOYSA-N
rxn:4:176291:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3cccc(F)c3)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OSLXWLIBMAQDHU-UHFFFAOYSA-N
rxn:4:188009:223570,CCCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,YIWLOZDCNAVIFZ-UHFFFAOYSA-N
rxn:4:194802:222465,Cc1ccc(N2C(=O)C3C(c4ccc(-c5cc(C6CCCCC6)nc(C6CCCNC6)c5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1C,BGQLOQHGPCMWRE-UHFFFAOYSA-N
rxn:4:200903:222423,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2C(C)C)CC1,YZXPGLVTBQTZMB-UHFFFAOYSA-N
rxn:4:201028:222389,CCOc1ccc(C(=O)N=c2sc3cc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)ccc3n2CC)cc1,KWSXVKVERPNDCY-UHFFFAOYSA-N
rxn:4:202605:222423,CCOc1cc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,YKWCPGIYSVGKCW-UHFFFAOYSA-N
rxn:4:202707:222423,COc1c(-c2ccc(CN3C(=O)N(c4cccc(SC)c4)C4CS(=O)(=O)CC43)c(F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XBYNMOVWXICVFB-UHFFFAOYSA-N
rxn:4:202717:222423,COc1c(-c2ccc3oc(=O)c(C(=O)N4CCSC4c4ccc(N(C)C)cc4)cc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QYCKSDWYNCJLBM-UHFFFAOYSA-N
rxn:4:212741:222508,CC1CN(Cc2ccc(-c3cc(C(=O)NCc4ccc(F)cc4)ccc3Cl)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,INRVZENNEVGTKO-UHFFFAOYSA-N
rxn:4:212748:224580,Cc1nccn1-c1ccc(C2CC2)c(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c1,LRLIQJGPWGJOBI-UHFFFAOYSA-N
rxn:4:212846:222703,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5ccc(C(F)(F)F)c(C6CCNCC6)c5)cc4)n(Cc4ccco4)c(=O)c23)C1,FIOFPGRUVRLWJI-UHFFFAOYSA-N
rxn:4:213429:222389,O=C1CC(c2nc3ccccc3n2CCc2ccccc2)CN1c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,WUAKBZNPWRCJLB-UHFFFAOYSA-N
rxn:4:221277:225826,CN1CCN(c2cncc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6c5ccc(Oc6ccccc6)cc5)n(C)c4=O)cc3)c2)CC1,NIUGPCKYGXZMKE-UHFFFAOYSA-N
rxn:4:221543:223557,Cc1cn2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,KOUIKGVIHDXELJ-UHFFFAOYSA-N
rxn:4:221569:222847,COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C#N)cc(C5CCCNC5)c4)cc3)c(=O)n2C)cc1,XSODKKGTQZQTCL-UHFFFAOYSA-N
rxn:4:221784:222615,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(CC(C)C)cc(C5CCNCC5)c4)cc3)n(C)c2=O)c1,PVFNEMAWKWRWTP-UHFFFAOYSA-N
rxn:4:222135:222985,COc1ccc(-c2ccc(C3CCCNC3)nc2C)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,ANGKGHSNYUNFQL-UHFFFAOYSA-N
rxn:4:222249:222740,CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6cc(C(C)C)nc(C7CCCNC7)c6)o5)CC4)ncnc32)cc1,CGTUGFIBWKFZRA-UHFFFAOYSA-N
rxn:4:222303:222423,COc1c(-c2cnc(OCC3CCCN(c4ncnc5c4cnn5C)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,APYXYLOQIXSDHM-UHFFFAOYSA-N
rxn:4:222362:222648,Cc1cc(C)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1NC(=O)OC(C)(C)C,HMNYRUSWZAXRBW-UHFFFAOYSA-N
rxn:4:222363:223961,Cc1cc(CN2CCN(c3c(-c4ccc(S(=O)(=O)N(C)c5ccccc5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,FHILEWXGZIKJTI-UHFFFAOYSA-N
rxn:4:222363:224367,Cc1cc(CN2CCN(c3c(-c4ccc(OC(F)(F)F)c(OCC(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PNXSRRVPQZRKLU-UHFFFAOYSA-N
rxn:4:222363:226511,Cc1cc(CN2CCN(c3c(-c4cc(Cl)cnc4OCC4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,FQXQMMRHICLKCF-UHFFFAOYSA-N
rxn:4:222363:226797,Cc1cc(CN2CCN(c3c(-c4cnc(-n5ccnc5)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NTODTSJGYZLRGD-UHFFFAOYSA-N
rxn:4:222363:226802,Cc1cc(CN2CCN(c3c(-c4cnc(-n5ccnc5)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UOKBRPOWUXPCHC-UHFFFAOYSA-N
rxn:4:222363:229016,Cc1cc(CN2CCN(c3c(-c4ccsc4C4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IVTZVVKDNRQGHC-UHFFFAOYSA-N
rxn:4:176281:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3cccc(Cl)c3)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GNQDTPPGHPEPCR-UHFFFAOYSA-N
rxn:4:176282:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3ccccc3Cl)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,COKMWKYOPPPKSR-UHFFFAOYSA-N
rxn:4:176283:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3ccc(Cl)cc3)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RXBUVJZHWVGAKZ-UHFFFAOYSA-N
rxn:4:176289:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3ccc(F)cc3)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IYKBSPGMHGULHQ-UHFFFAOYSA-N
rxn:4:176313:222423,COc1c(-c2ccc(COc3ccc4c(c3)OC(=CC3=Cc5ccccc5OC3C)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XVUOLYPEFVNTCO-UHFFFAOYSA-N
rxn:4:178566:222423,COc1c(-c2ccc(-c3c(C)c4ccc(OC(C)=O)cc4oc3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZBJHAJQBLQRMOK-UHFFFAOYSA-N
rxn:4:188018:222459,COc1cc(C2c3c(oc4ccc(-c5cc(C(=O)Nc6ccc([N+](=O)[O-])cc6)ccc5F)cc4c3=O)C(=O)N2C)cc(OC)c1OC,NMOMLORIWGLIFZ-UHFFFAOYSA-N
rxn:4:202799:222466,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,YFAQGPCDJCEHPA-UHFFFAOYSA-N
rxn:4:213451:223590,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)nc5C)cc43)C(=O)N2c2ccc(CC)cc2)cc1,ZXSUXTADCBPQEY-UHFFFAOYSA-N
rxn:4:213451:224291,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OCCN6CCOCC6)c(F)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,HCTCETHIZDNJHN-UHFFFAOYSA-N
rxn:4:214388:226278,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(OCC(C)C)nc4C)c(OC)cc12)CC3,SUOPMRKLDBOIGS-UHFFFAOYSA-N
rxn:4:219780:223890,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc6ncn(Cc7ccccc7)c6cc5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,SVSYDQGQGLFZOS-UHFFFAOYSA-N
rxn:4:220239:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3c4c(nn3Cc3ccccc3)C(=O)N([C@H]3COc5ccccc5N(C)C3=O)CC4)c2)CC1,LTXUYAMOFGIZEQ-PMERELPUSA-N
rxn:4:221273:222465,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,JUNMKAOKYJBUAG-UHFFFAOYSA-N
rxn:4:221273:222846,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCNC4)ccc3C#N)cc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,PRPPKIANJAZXRX-UHFFFAOYSA-N
rxn:4:221274:223699,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc1,KGQSNYFPRYJTCM-UHFFFAOYSA-N
rxn:4:221539:222848,CCc1cc(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc(C2CCCNC2)n1,XLSHNHSXOQWATN-UHFFFAOYSA-N
rxn:4:221570:223841,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)c(=O)n2C)c1,FJZXMGOXRNSJTR-UHFFFAOYSA-N
rxn:4:221782:222730,CCCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)cc(C2CCNCC2)n1,RSQBTLDRZRUESU-UHFFFAOYSA-N
rxn:4:221790:222730,CCCc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4C)c(=O)n3C)cc2)cc(C2CCNCC2)n1,ATSURBIFQWDCOK-UHFFFAOYSA-N
rxn:4:221990:223569,COc1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,HYSORWRSIVIFBR-UHFFFAOYSA-N
rxn:4:221995:223674,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(COc6cc(C(F)(F)F)ccc6Cl)cc5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,NSBITBPMKUHKMS-UHFFFAOYSA-N
rxn:4:221995:226692,Cc1noc(C)c1-c1ccc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)s1,LACQHGNZIGIWHB-UHFFFAOYSA-N
rxn:4:222144:225231,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cnc(Cl)c(N3CCCCC3C)c2)cc1,AUMPZOAMDJJVJQ-UHFFFAOYSA-N
rxn:4:222362:222628,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C7CCC7)nc(C7CCCNC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,QLYNWPBHHVSZHH-UHFFFAOYSA-N
rxn:4:222362:222740,CC(C)c1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C2CCCNC2)n1,MTFTVQHBMXCNQO-UHFFFAOYSA-N
rxn:4:222362:224611,COCCn1cc(-c2cccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)cn1,UFVHTCMDXVAJDO-UHFFFAOYSA-N
rxn:4:222362:226597,CC(C)Oc1c(F)cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1F,BOXMMQNIPWZSDU-UHFFFAOYSA-N
rxn:4:222363:223685,Cc1cc(CN2CCN(c3c(-c4ccc(OC(F)(F)F)c(OCc5cccnc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CADRXCKCMWODTK-UHFFFAOYSA-N
rxn:4:222363:229268,Cc1cc(CN2CCN(c3c(-c4cc(C)c(Cl)s4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CTIJXYCFOHJHAC-UHFFFAOYSA-N
rxn:4:173706:222423,CCCC(=O)c1cc2c(cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)c3oc(C)c(C(=O)OCC)c32)oc1=O,CVFODPAHAAPFRA-UHFFFAOYSA-N
rxn:4:176005:222423,COc1c(-c2ccc(OCc3ccccc3)c(Cl)c2C2OCCO2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,AHYUDKAKYGWTGX-UHFFFAOYSA-N
rxn:4:185578:222423,COc1c(-c2ccc(-c3c(C(F)(F)F)oc4cc(OC(=O)N5CCOCC5)ccc4c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LYUOJGUFQPADGD-UHFFFAOYSA-N
rxn:4:204808:222423,COc1c(-c2ccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HCMRKVJKAQMHTK-UHFFFAOYSA-N
rxn:4:212751:223755,CC1CCN(CCCOc2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2F)CC1,LSBPHKISSGKAFG-UHFFFAOYSA-N
rxn:4:218774:223980,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cccc(S(=O)(=O)N7CCN(CC)CC7)c6)ccc5OC)oc4C)ccn3n2)cc1,IGACQDJUUDKBRT-UHFFFAOYSA-N
rxn:4:219200:222423,COc1c(-c2cccc(CSc3nnc4n(Cc5ccc(F)cc5)c(=O)c5sccc5n34)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OVDDFMRPCLFPQT-UHFFFAOYSA-N
rxn:4:221547:222488,COCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(NC(=O)OCc4ccccc4)cnc3C)cc2)n(C)c1=O,WVOAYLXLOJEGDB-UHFFFAOYSA-N
rxn:4:221575:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1,XPKKNBJKCFEJFX-UHFFFAOYSA-N
rxn:4:221781:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3cccc(C)c3C)n(C)c2=O)cc1,SEUITACNFBUHRX-UHFFFAOYSA-N
rxn:4:221784:222847,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(C#N)cc(C5CCCNC5)c4)cc3)n(C)c2=O)c1,FDQHKLPUVWZBAA-UHFFFAOYSA-N
rxn:4:222362:222622,CCC(C)c1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C2CCCNC2)n1,OEPVZZKEATZLOR-UHFFFAOYSA-N
rxn:4:222363:227151,Cc1cc(CN2CCN(c3c(-c4cc5c(cnn5C)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VQQXMRFDNUKWRN-UHFFFAOYSA-N
rxn:4:225970:222363,Cc1cc(CN2CCN(c3c(-c4cnc(Cl)c(-n5ccnc5C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZRLYHRMPOWCLPW-UHFFFAOYSA-N
rxn:1:41711:31333,Cc1cc(N)cnc1-c1cn(-c2ccc(I)cc2Br)nn1,NCJFOJVNJKCOPS-UHFFFAOYSA-N
rxn:1:41904:14099,CNc1ccc(-c2cn(CC#Cc3ccsc3)nn2)cc1C,IQWQYDUQUHPRGT-UHFFFAOYSA-N
rxn:1:41904:23535,Nc1c(-c2cn(CC#Cc3ccsc3)nn2)oc2ccncc12,YIDQIAOMLQJIGO-UHFFFAOYSA-N
rxn:1:41904:30453,Cc1c(-c2cn(CC#Cc3ccsc3)nn2)cnn1C,RXGQBBGNHOOSJK-UHFFFAOYSA-N
rxn:1:41904:31463,Fc1cc(-c2cn(CC#Cc3ccsc3)nn2)cnc1Cl,VPAXVPPVLHJDAH-UHFFFAOYSA-N
rxn:1:41904:32044,Cc1cc(-c2cn(CC#Cc3ccsc3)nn2)ccc1CN,ZPBOHCQLGKYJTC-UHFFFAOYSA-N
rxn:1:41904:34520,Cc1c(-c2cn(CC#Cc3ccsc3)nn2)cnn1C(F)F,YFSKTVZBTLOFSX-UHFFFAOYSA-N
rxn:1:41923:31491,Cc1c(F)cncc1-c1cn(CC#Cc2ccsc2Cl)nn1,XKFCNCVODOTCSW-UHFFFAOYSA-N
rxn:1:41923:31580,N#Cc1cnc(N)c(-c2cn(CC#Cc3ccsc3Cl)nn2)c1Cl,DQZQCVPPRLQEEE-UHFFFAOYSA-N
rxn:1:41923:31840,Fc1cncc(Cl)c1-c1cn(CC#Cc2ccsc2Cl)nn1,AZFAQQZBYXGTLJ-UHFFFAOYSA-N
rxn:1:41923:32044,Cc1cc(-c2cn(CC#Cc3ccsc3Cl)nn2)ccc1CN,LXKJYSJVIQWWJE-UHFFFAOYSA-N
rxn:1:41923:37717,Cc1n[nH]c2ncc(-c3cn(CC#Cc4ccsc4Cl)nn3)cc12,RWEQRKGFJNRRDD-UHFFFAOYSA-N
rxn:1:41923:37803,Fc1nccc(-c2cn(CC#Cc3ccsc3Cl)nn2)c1Cl,WWQKPCOYUKZNFF-UHFFFAOYSA-N
rxn:1:41924:39014,Clc1ccc(C#CCn2cc(-c3cncc4cn[nH]c34)nn2)s1,XSXSMXHNSVDNKE-UHFFFAOYSA-N
rxn:1:42018:23520,Cc1ccc(I)cc1-n1cc(-c2oc3nccc(C)c3c2N)nn1,OEXBJOSFINOCNN-UHFFFAOYSA-N
rxn:1:42796:37762,Fc1cnc(-c2cn(CC#Cc3n[nH]c4ncnc(Cl)c34)nn2)cc1Cl,SVTMEBZYRNEWSA-UHFFFAOYSA-N
rxn:1:43680:31611,COc1ncc(-c2cn(CC#Cc3cc(Br)cnc3Cl)nn2)c(N)n1,HEYDVXYETHATFI-UHFFFAOYSA-N
rxn:1:43730:12269,O=Cc1cncc(-c2cn(-c3ccc(Br)cc3I)nn2)c1,BQSXSZVULMLSBG-UHFFFAOYSA-N
rxn:1:43799:39742,ON=Cc1cn(CCC#Cc2ccsc2Cl)nn1,XMVOSOVMHYAJNP-UHFFFAOYSA-N
rxn:1:53562:123,Cc1nc(Cl)c(N)c(-c2cn(Cc3ccc(Br)cc3I)nn2)n1,BTFXHIUHTWYEED-UHFFFAOYSA-N
rxn:1:59912:28139,Nc1ncc(-c2cn(Cc3cc(Br)cnc3Br)nn2)c(N)n1,BHGNBSWZWYYTET-UHFFFAOYSA-N
rxn:1:59985:27805,Cc1cnc2ccc(-c3cn([C@@H]4CC[C@H]4I)nn3)cc2c1O,NJVGPKRWNIEXDP-IUODEOHRSA-N
rxn:1:59985:6,CC(C)Nc1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)nn1,NFJMCPNXWYNKHC-BXKDBHETSA-N
rxn:1:62588:1827,Oc1cncc(-c2cn(C3CCCC3I)nn2)c1,RGXDTRJGIMBABW-UHFFFAOYSA-N
rxn:1:62588:1881,IC1CCCC1n1cc(-c2cnc3scnc3c2)nn1,OPNBKKREKPLISD-UHFFFAOYSA-N
rxn:1:62588:2955,Clc1ccc2c(-c3cn(C4CCCC4I)nn3)c[nH]c2c1,VPSZKONMBZHKCG-UHFFFAOYSA-N
rxn:1:62588:389,Cc1ccc(-c2cn(C3CCCC3I)nn2)c(C)n1,KRIIXIWXMNXFMU-UHFFFAOYSA-N
rxn:1:62588:412,Cc1cc(C)c(-c2cn(C3CCCC3I)nn2)cn1,ISWATPMBEWTCMZ-UHFFFAOYSA-N
rxn:1:62588:7345,CCc1nc(N)ccc1-c1cn(C2CCCC2I)nn1,AUOXKCSORZFTTQ-UHFFFAOYSA-N
rxn:1:62588:7776,Clc1cccc2c(-c3cn(C4CCCC4I)nn3)c[nH]c12,IQLRWKBBMYNBKT-UHFFFAOYSA-N
rxn:1:65661:37717,Cc1n[nH]c2ncc(-c3cn(CC=Cc4ccsc4)nn3)cc12,YGTHJURKVPCKJO-UHFFFAOYSA-N
rxn:1:41711:30291,Cc1nn(C)c(C)c1-c1cn(-c2ccc(I)cc2Br)nn1,GXEHKVJFYJUIET-UHFFFAOYSA-N
rxn:1:41789:37717,Cc1n[nH]c2ncc(-c3cn(CC=Cc4ccc(Br)s4)nn3)cc12,TVGZRMMEYUXGFW-UHFFFAOYSA-N
rxn:1:41904:2700,Clc1cc(-c2cn(CC#Cc3ccsc3)nn2)cnc1Cl,PHAGPOPZLGCWBC-UHFFFAOYSA-N
rxn:1:41904:31438,N#Cc1cnc(N)c(-c2cn(CC#Cc3ccsc3)nn2)c1,AKCMZUHXUFJCIK-UHFFFAOYSA-N
rxn:1:41904:37717,Cc1n[nH]c2ncc(-c3cn(CC#Cc4ccsc4)nn3)cc12,ZQPMZRNGYHUKTO-UHFFFAOYSA-N
rxn:1:41904:37843,Cn1ncc2cc(-c3cn(CC#Cc4ccsc4)nn3)cnc21,VDSXORATIUJEDS-UHFFFAOYSA-N
rxn:1:41904:38814,Nc1c(Br)cncc1-c1cn(CC#Cc2ccsc2)nn1,PSQYJUQFOXOYSQ-UHFFFAOYSA-N
rxn:1:41912:37717,Cc1n[nH]c2ncc(-c3cn(CC#Cc4cscn4)nn3)cc12,DQXRBKMBCFKJDR-UHFFFAOYSA-N
rxn:1:41923:31463,Fc1cc(-c2cn(CC#Cc3ccsc3Cl)nn2)cnc1Cl,NMIFEAKCLHTZTK-UHFFFAOYSA-N
rxn:1:41923:31518,Cc1ncc(O)cc1-c1cn(CC#Cc2ccsc2Cl)nn1,WZZWTHMVMADTIV-UHFFFAOYSA-N
rxn:1:41923:31937,Cc1cc(Cl)ncc1-c1cn(CC#Cc2ccsc2Cl)nn1,HUMQODFIQMRNDE-UHFFFAOYSA-N
rxn:1:41923:32691,Fc1ccc(-c2cn(CC#Cc3ccsc3Cl)nn2)nc1Cl,FSENHTOUCHFUFI-UHFFFAOYSA-N
rxn:1:41923:38744,Fc1cnc(Cl)cc1-c1cn(CC#Cc2ccsc2Cl)nn1,BKXXZPIIEDHPAD-UHFFFAOYSA-N
rxn:1:41924:37717,Cc1n[nH]c2ncc(-c3cn(CC#Cc4ccc(Cl)s4)nn3)cc12,DTPAHUOWXFQIMC-UHFFFAOYSA-N
rxn:1:42750:16295,CC(C)c1c(-c2cn(CC#Cc3ccc4[nH]ncc4c3)nn2)cnn1-c1c(F)c(F)c(F)c(F)c1F,JZEILUHNAPCMDO-UHFFFAOYSA-N
rxn:1:42845:22809,Nc1ncnc2[nH]nc(C#CCn3cc(-c4cncc(-n5nc(-c6ccccc6)c(Cl)c5N)c4)nn3)c12,FYDPLMDAFHNUBC-UHFFFAOYSA-N
rxn:1:42845:22841,Nc1ncnc2[nH]nc(C#CCn3cc(-c4cncc(-n5nc(C6CCCC6)c(Cl)c5I)c4)nn3)c12,IIIDWBBRSLKUEJ-UHFFFAOYSA-N
rxn:1:43344:34243,CCC1(C(=O)Nc2ncc(Br)nc2-c2cn(CC#Cc3cnc(N)c(C(=O)OC)n3)nn2)COC1,HKTBPSKRYKPJTI-UHFFFAOYSA-N
rxn:1:43730:23723,Brc1ccc(-n2cc(C3C4CNCC43)nn2)c(I)c1,DOPJOIGIAGSBEI-UHFFFAOYSA-N
rxn:1:44527:22841,O=Cc1cc(C#CCCn2cc(-c3cncc(-n4nc(C5CCCC5)c(Cl)c4I)c3)nn2)cnc1F,QUSRWKBPQDGCPF-UHFFFAOYSA-N
rxn:1:59985:7771,Brc1cccc2c(-c3cn([C@@H]4CC[C@H]4I)nn3)c[nH]c12,SZLSZJIJYITNDN-DGCLKSJQSA-N
rxn:1:62588:106,Cc1cc(C)c2c(N)c(-c3cn(C4CCCC4I)nn3)sc2n1,HXOVTMIYSFPLDH-UHFFFAOYSA-N
rxn:1:65678:37717,Cc1n[nH]c2ncc(-c3cn(CC=Cc4ccsc4Cl)nn3)cc12,BBXAMICDRVVQIK-UHFFFAOYSA-N
rxn:3:42918:38951:140724,Cc1cccc(-c2cn(CC#Cc3ccccc3CC(=O)NCc3ccc(C(C)(F)F)cc3)nn2)c1C,GFXQQTOOPLAPHS-UHFFFAOYSA-N
rxn:3:50681:287:171288,Cc1ccc(NC(=O)c2cccc(C)c2C2C(Cn3cc(-c4ccc(SC(F)(F)F)s4)nn3)C2(F)F)c(Oc2ccc3ccccc3c2)c1,PAZNMEAOBDHYGC-UHFFFAOYSA-N
rxn:1:40131:5448,Nc1cc(Cl)ccc1C=CCn1cc(-c2nc(Br)cs2)nn1,GQOXKWHBZTZWSC-UHFFFAOYSA-N
rxn:1:41711:1825,Cc1cc(N)ncc1-c1cn(-c2ccc(I)cc2Br)nn1,NUKOPWQVBVKJBQ-UHFFFAOYSA-N
rxn:1:41711:31180,NCc1ccncc1-c1cn(-c2ccc(I)cc2Br)nn1,YZOHDJQUODMWBS-UHFFFAOYSA-N
rxn:1:41711:31195,Brc1cc(I)ccc1-n1cc(-c2ccc3c(c2)CNC3)nn1,WCDVFZJRFMDJJA-UHFFFAOYSA-N
rxn:1:41711:31327,COc1ccc(-c2cn(-c3ccc(I)cc3Br)nn2)c(CN)c1,CZCFDFGRWYNAEZ-UHFFFAOYSA-N
rxn:1:41711:31425,Cc1cc(N)c(-c2cn(-c3ccc(I)cc3Br)nn2)cn1,RPNLDOKJKZCOLV-UHFFFAOYSA-N
rxn:1:41865:31580,N#Cc1cnc(N)c(-c2cn(CC=Cc3ccc(I)o3)nn2)c1Cl,PIWZXUQVGHGJRC-UHFFFAOYSA-N
rxn:1:41865:37717,Cc1n[nH]c2ncc(-c3cn(CC=Cc4ccc(I)o4)nn3)cc12,CHOOTWSPQRVMPN-UHFFFAOYSA-N
rxn:1:41904:1664,Cc1cc(-c2cn(CC#Cc3ccsc3)nn2)cc(C)c1N,CVJWVLBSRIIZTM-UHFFFAOYSA-N
rxn:1:41904:2918,Clc1ncnc2[nH]cc(-c3cn(CC#Cc4ccsc4)nn3)c12,MKBKOCBUSGJSBK-UHFFFAOYSA-N
rxn:1:41904:38439,Clc1cncc(-c2cn(CC#Cc3ccsc3)nn2)c1,NFTVSBIOBDGOBY-UHFFFAOYSA-N
rxn:1:41907:31333,Cc1cc(N)cnc1-c1cn(-c2ccc(I)cc2Cl)nn1,PGEWTQZGMIVCPA-UHFFFAOYSA-N
rxn:1:41923:31915,Nc1ncnc2[nH]nc(-c3cn(CC#Cc4ccsc4Cl)nn3)c12,DKSORRYKKCIEHL-UHFFFAOYSA-N
rxn:1:41923:39073,Nc1cc(Cl)cnc1-c1cn(CC#Cc2ccsc2Cl)nn1,OZEBHXNNXTXISH-UHFFFAOYSA-N
rxn:1:41923:39296,Cc1nn(C)c(N)c1-c1cn(CC#Cc2ccsc2Cl)nn1,SZCGXGHHEMIFRA-UHFFFAOYSA-N
rxn:1:41923:39388,Clc1sccc1C#CCn1cc(Cn2cc(Br)cn2)nn1,HWSFJOMDYBDIGQ-UHFFFAOYSA-N
rxn:1:42042:33151,Cc1cc(C(=O)N2CCc3sccc3C2C)ccc1-c1cn(CC#Cc2c[nH]c(C=O)c2)nn1,JMBLEMFBPDKZJZ-UHFFFAOYSA-N
rxn:1:42845:23561,Cc1cc(C)c2c(N)c(-c3cn(CC#Cc4n[nH]c5ncnc(N)c45)nn3)oc2n1,UVUITDAXUCWCAV-UHFFFAOYSA-N
rxn:1:52473:5448,Nc1cc(Cl)c(C2CC2CCn2cc(-c3nc(Br)cs3)nn2)c(Cl)c1,VMOWPXXZHPLKJC-UHFFFAOYSA-N
rxn:1:57011:38682,Brc1cscc1CCCn1cc(-c2cnc3nc[nH]c3c2)nn1,LLKGCBFNMBCBKU-UHFFFAOYSA-N
rxn:1:58747:27802,Cc1nc(N)sc1CCCCn1cc(-c2ccc3c(n2)CCCC3)nn1,QHMDWZOFQSARSM-UHFFFAOYSA-N
rxn:1:59985:23458,CC(C)c1ncc(-c2cn([C@@H]3CC[C@H]3I)nn2)c(Cl)n1,CMOYNRMSWVSVHC-MWLCHTKSSA-N
rxn:1:59985:28224,C[C@H](N)c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1,XQODKXBXVJFAOB-MRCXROJRSA-N
rxn:1:59985:28639,NC1CCc2ccc(-c3cn([C@@H]4CC[C@H]4I)nn3)cc21,FUUIYMOSDDVQJR-ILWWEHDPSA-N
rxn:1:59985:7772,Brc1ccc2c(-c3cn([C@@H]4CC[C@H]4I)nn3)c[nH]c2c1,WCHPIMDMSZYFON-BXUZGUMPSA-N
rxn:1:61751:23561,CSc1ncc(Br)c(Cn2cc(-c3oc4nc(C)cc(C)c4c3N)nn2)n1,JNCKJTMNZYRCKP-UHFFFAOYSA-N
rxn:1:61751:5847,CSc1ncc(Br)c(Cn2cc(COc3ccncc3C(C)=O)nn2)n1,CCEMKVKIQBZPKO-UHFFFAOYSA-N
rxn:1:62588:22994,O=c1ccc2cc(-c3cn(C4CCCC4I)nn3)cnc2[nH]1,HNZPKKOEUSIMSA-UHFFFAOYSA-N
rxn:1:62588:31937,Cc1cc(Cl)ncc1-c1cn(C2CCCC2I)nn1,PVADHTIJWGDOJW-UHFFFAOYSA-N
rxn:1:62588:37737,Clc1ccc2c(-c3cn(C4CCCC4I)nn3)c[nH]c2n1,ZDFMKPLNLXJBJI-UHFFFAOYSA-N
rxn:1:62688:38536,NC1(Cc2cn(-c3cc(I)cc(I)c3I)nn2)CCC1,PAVABDGZCHODDF-UHFFFAOYSA-N
rxn:1:64877:13509,O=C(Nc1nc2cc(Br)ccc2o1)c1cccc(-c2cn(CC3CC(=O)N(c4ccccc4N4CCCCC4)C3)nn2)c1,FZXGJWOKGVDYAI-UHFFFAOYSA-N
rxn:1:65679:37717,Cc1n[nH]c2ncc(-c3cn(CC=Cc4ccc(Cl)s4)nn3)cc12,FFYUKXCQSRCBLI-UHFFFAOYSA-N
rxn:3:49115:37763:109471,COC(Cn1cc(-c2ccc3c(cnn3C)c2)nn1)C(=O)Nc1c2c(cc3c1OCC3)CCO2,CTYKCQPURKWHAX-UHFFFAOYSA-N
rxn:1:40939:15004,COC(=O)C1CCCC(C(C)C)N1Cc1cn(CC=Cc2ccc(F)c([N+](=O)[O-])c2)nn1,VLGAMENZLIUJCW-UHFFFAOYSA-N
rxn:1:41845:31580,Cc1cc(C=CCn2cc(-c3c(N)ncc(C#N)c3Cl)nn2)c(C)s1,AWHFCFCVKWGWLB-UHFFFAOYSA-N
rxn:1:41904:31930,Cc1cncc(-c2cn(CC#Cc3ccsc3)nn2)c1N,CIDOTNQOCCAGTQ-UHFFFAOYSA-N
rxn:1:41904:35061,C(#Cc1ccsc1)Cn1cc(-c2ccc3nccnc3c2)nn1,VLZMOHSDFKIZQC-UHFFFAOYSA-N
rxn:1:41923:2529,Cc1cc(F)ncc1-c1cn(CC#Cc2ccsc2Cl)nn1,YXOKEAKQQHZUGO-UHFFFAOYSA-N
rxn:1:41923:2700,Clc1cc(-c2cn(CC#Cc3ccsc3Cl)nn2)cnc1Cl,ZMQBXWBGACPYDU-UHFFFAOYSA-N
rxn:1:41923:31430,Fc1cnc(-c2cn(CC#Cc3ccsc3Cl)nn2)c(F)c1,QJLUTWPMPRPPSD-UHFFFAOYSA-N
rxn:1:41923:31438,N#Cc1cnc(N)c(-c2cn(CC#Cc3ccsc3Cl)nn2)c1,NYIGLZWTABIBRW-UHFFFAOYSA-N
rxn:1:41924:38744,Fc1cnc(Cl)cc1-c1cn(CC#Cc2ccc(Cl)s2)nn1,UZZGMVMLPRYNJT-UHFFFAOYSA-N
rxn:1:50244:194,CC(=O)c1ccc(Oc2ccc(-c3cn(CC4C(c5cc(C)ccc5C=O)C4(F)F)nn3)cc2)nc1,PBKSWZXEGBMLFQ-UHFFFAOYSA-N
rxn:1:51775:33250,COc1ccc2c(O)c(C(=O)NCc3cn(CCC4CC4c4ccc(F)c(C)c4)nn3)cnc2c1,RTEHQKPJXOAXBF-UHFFFAOYSA-N
rxn:1:57010:38682,Clc1sccc1CCCn1cc(-c2cnc3nc[nH]c3c2)nn1,RDZMVPOABFAQCT-UHFFFAOYSA-N
rxn:1:59985:14361,Cc1c(-c2cn([C@@H]3CC[C@H]3I)nn2)cnc2cccnc12,BNRCNXAHBFNRCR-BXUZGUMPSA-N
rxn:1:59985:23119,Fc1ccc2c(C3(c4cn([C@@H]5CC[C@H]5I)nn4)CC3)c[nH]c2c1,ROUZKEDXPNVXLF-UKRRQHHQSA-N
rxn:1:59985:31811,CC(N)c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1Cl,LJQXAZPQWZTGMI-HZYOEUDRSA-N
rxn:1:59985:38477,COc1ncc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1C,ATRPLAMBTRDORQ-ZYHUDNBSSA-N
rxn:1:59985:8709,FC(F)c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cn1,RENGFXAIYHDBLQ-LDYMZIIASA-N
rxn:1:62034:27805,Cc1cnc2ccc(-c3cn(C4CCSC4)nn3)cc2c1O,PCLWDAULAVTTJX-UHFFFAOYSA-N
rxn:1:62555:14846,CC(=O)O[C@@H]1C[C@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(OC(C)=O)c2cn(-c3ccnc4[nH]cc(Cl)c34)nn2)C2CCC(=O)C=C21,ANVVQXORVWIOHL-RVBLCXHASA-N
rxn:1:62588:31219,Nc1cnc2[nH]c(-c3cn(C4CCCC4I)nn3)cc2c1,RQODBCPXIVFLGJ-UHFFFAOYSA-N
rxn:1:62588:31372,CNCCc1ccc(-c2cn(C3CCCC3I)nn2)cc1Cl,KHEZEGQITGYOJP-UHFFFAOYSA-N
rxn:1:62688:39278,CCC(N)c1cn(-c2cc(I)cc(I)c2I)nn1,GFILTKNGQCFKES-UHFFFAOYSA-N
rxn:1:62688:39408,NC(CO)Cc1cn(-c2cc(I)cc(I)c2I)nn1,HDSXGPBVMMTEQP-UHFFFAOYSA-N
rxn:1:63757:37822,CSc1ncc(-c2cn(Cc3ccc(Cl)s3)nn2)c(C)n1,GFWRFAZYZHRUQV-UHFFFAOYSA-N
rxn:1:65661:8718,Cc1cc(-c2cn(CC=Cc3ccsc3)nn2)cnc1N,CCDGCOUHRBQCGY-UHFFFAOYSA-N
rxn:3:52731:6443:170513,Cc1ccc(Oc2cc(C)cc(C)c2C)c(NC(=O)c2ccc(F)cc2C2CC2CCn2cc(-c3cnn(-c4ncccn4)c3)nn2)c1,QMONBPCQKWSYQZ-UHFFFAOYSA-N
rxn:3:65218:20851:93237,CCC(C)n1nc(C2CCC2)cc1-c1cn(CC2CC(=O)N(c3cc4ccccc4cc3C(=O)N[C@H]3COCC[C@@H]3OC)C2)nn1,FAPMESYVDLOUIZ-PMPJIFQRSA-N
rxn:1:41711:2060,O=C(c1cn(-c2ccc(I)cc2Br)nn1)C1CNC1,BOZYVSSDCXISSB-UHFFFAOYSA-N
rxn:1:41711:2140,NC1(C(=O)c2cn(-c3ccc(I)cc3Br)nn2)CC1,OJAGIKPQNYDMPH-UHFFFAOYSA-N
rxn:1:41711:31396,NCc1cccnc1-c1cn(-c2ccc(I)cc2Br)nn1,OXMBVFSWNMZNKA-UHFFFAOYSA-N
rxn:1:41711:3699,Cc1c(N)cncc1-c1cn(-c2ccc(I)cc2Br)nn1,RFOXEFZPVPYWAH-UHFFFAOYSA-N
rxn:1:41711:3949,N[C@H]1CC[C@H](c2cn(-c3ccc(I)cc3Br)nn2)CC1,IPVKHMYCFRDEFY-HOMQSWHASA-N
rxn:1:41865:28139,Nc1ncc(-c2cn(CC=Cc3ccc(I)o3)nn2)c(N)n1,OWKMDAXOMGTECQ-UHFFFAOYSA-N
rxn:1:41904:1858,C(#Cc1ccsc1)Cn1cc(-c2cnc3cccnc3c2)nn1,JXGAYLCJGNETLL-UHFFFAOYSA-N
rxn:1:41904:31360,Fc1ncc(-c2cn(CC#Cc3ccsc3)nn2)cc1Cl,WVNMJJRWKNYAPM-UHFFFAOYSA-N
rxn:1:41904:8718,Cc1cc(-c2cn(CC#Cc3ccsc3)nn2)cnc1N,DVFDEMWNXJYXSC-UHFFFAOYSA-N
rxn:1:41921:31454,Cc1cscc1C#CCn1cc(-c2cnc(Cl)nc2N)nn1,GUXQCNQVAJCYAS-UHFFFAOYSA-N
rxn:1:41923:23656,Clc1sccc1C#CCn1cc(-c2c[nH]c3ncncc23)nn1,AVPFSLIKVKOSFD-UHFFFAOYSA-N
rxn:1:41923:32521,Fc1ncc(-c2cn(CC#Cc3ccsc3Cl)nn2)cc1Br,FJWOKELRFPUYDR-UHFFFAOYSA-N
rxn:1:41923:37843,Cn1ncc2cc(-c3cn(CC#Cc4ccsc4Cl)nn3)cnc21,VCJAATSVZGKDQH-UHFFFAOYSA-N
rxn:1:41924:2700,Clc1ccc(C#CCn2cc(-c3cnc(Cl)c(Cl)c3)nn2)s1,GYLZOPVAKKNDGL-UHFFFAOYSA-N
rxn:1:43799:38682,Clc1sccc1C#CCCn1cc(-c2cnc3nc[nH]c3c2)nn1,QICKFVXYONPDGQ-UHFFFAOYSA-N
rxn:1:50212:30939,Cc1cc2n(n1)CCCN(C(=O)C1CC(F)(F)C1)CCCC1(CN(C)C2=O)CN(C(=O)c2cn(CC3C(c4ccc(Cl)c(CO)c4)C3(F)F)nn2)CCO1,TZVNOPZJRZTPHQ-UHFFFAOYSA-N
rxn:1:53017:38682,c1nc2ncc(-c3cn(CCCc4ccsc4)nn3)cc2[nH]1,UEDIUEICLLJWTH-UHFFFAOYSA-N
rxn:1:56503:5342,COc1cc(O)c(C2CC2Cn2cc(COC(CN)c3c(C)cc(C)cc3C)nn2)c(OC)c1,MEXWZEJLCZOHBB-UHFFFAOYSA-N
rxn:1:57011:2918,Clc1ncnc2[nH]cc(-c3cn(CCCc4cscc4Br)nn3)c12,PACYJVCIQXWPHT-UHFFFAOYSA-N
rxn:1:59915:31376,CNCCc1ccc(-c2cn(Cc3sc(Br)cc3Br)nn2)c(Cl)c1,FZBYRGHPYUQWEY-UHFFFAOYSA-N
rxn:1:59985:27893,Cc1nc2ccc(-c3cn([C@@H]4CC[C@H]4I)nn3)cc2s1,FCMIKMCMIPTUFE-ZWNOBZJWSA-N
rxn:1:59985:31500,C[C@@H](N)c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1Cl,LJQXAZPQWZTGMI-IHPUGEDLSA-N
rxn:1:59985:31778,COC(=O)c1cc(C)c(-c2cn([C@@H]3CC[C@H]3I)nn2)cn1,UOJSFTCPAFVEJU-ZWNOBZJWSA-N
rxn:1:59985:32494,C[C@H](N)c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1Cl,LJQXAZPQWZTGMI-REAQECSSSA-N
rxn:1:61827:11848,NC1CCC(c2cn(-c3ccc(I)c(Br)c3)nn2)CC1,HFNHEPMFDJCNBH-UHFFFAOYSA-N
rxn:1:62588:32049,COc1cc(-c2cn(C3CCCC3I)nn2)cnc1CN,KORMDWDNNNWIDV-UHFFFAOYSA-N
rxn:1:62588:37717,Cc1n[nH]c2ncc(-c3cn(C4CCCC4I)nn3)cc12,XSMXHHJAYPDYHH-UHFFFAOYSA-N
rxn:1:62588:37822,CSc1ncc(-c2cn(C3CCCC3I)nn2)c(C)n1,JUMYFOJZQMIKSJ-UHFFFAOYSA-N
rxn:1:62688:39290,CCC(C)(N)Cc1cn(-c2cc(I)cc(I)c2I)nn1,RALHHJXRQJDYHN-UHFFFAOYSA-N
rxn:1:63670:27954,NCC=Cc1ccc(-c2cn(Cc3ccc(Br)s3)nn2)cc1,AHDHKYRYRDWZGN-UHFFFAOYSA-N
rxn:3:59897:31765:119542,N#Cc1cc(-c2cn(Cc3cccc(C(=O)NCC45CC6CC(F)(CC(F)(C6)C4)C5)n3)nn2)cs1,HRBZAPLCXCUCIC-UHFFFAOYSA-N
rxn:1:41591:18296,COc1cccc(OCc2cn(CC=Cc3c[nH]c4ncnc(N)c34)nn2)c1,URJULMZLRPMFNF-UHFFFAOYSA-N
rxn:1:41711:31063,NCC1CCC(c2cn(-c3ccc(I)cc3Br)nn2)CC1,NHTWZKWKHHBQQS-UHFFFAOYSA-N
rxn:1:41711:6092,COc1n[nH]c(C)c1-c1cn(-c2ccc(I)cc2Br)nn1,AAOWAFJQVPFCFB-UHFFFAOYSA-N
rxn:1:41904:2695,Clc1cc(-c2cn(CC#Cc3ccsc3)nn2)cc(Cl)n1,BPCLIWXYEMOZFF-UHFFFAOYSA-N
rxn:1:41904:31487,Cc1c(-c2cn(CC#Cc3ccsc3)nn2)ccnc1Cl,HUGBWCJQTRQBAU-UHFFFAOYSA-N
rxn:1:41905:35061,C(#Cc1cccs1)Cn1cc(-c2ccc3nccnc3c2)nn1,KMFHBLFHNKLTOV-UHFFFAOYSA-N
rxn:1:41923:2918,Clc1sccc1C#CCn1cc(-c2c[nH]c3ncnc(Cl)c23)nn1,PBRPGXNUGFELQR-UHFFFAOYSA-N
rxn:1:41923:31523,Fc1cncc(-c2cn(CC#Cc3ccsc3Cl)nn2)c1Cl,PTZVEOSYSUNATD-UHFFFAOYSA-N
rxn:1:41923:37814,Cc1ncc(F)cc1-c1cn(CC#Cc2ccsc2Cl)nn1,LBEXOKZSVWUJGG-UHFFFAOYSA-N
rxn:1:41923:38529,Cc1c(Br)cncc1-c1cn(CC#Cc2ccsc2Cl)nn1,SYWIATLQOZDJHZ-UHFFFAOYSA-N
rxn:1:43719:31333,Cc1cc(N)cnc1-c1cn(-c2ccc(Cl)c(I)c2)nn1,IJPHVSFORCXNNE-UHFFFAOYSA-N
rxn:1:57017:38682,Brc1ccsc1CCCn1cc(-c2cnc3nc[nH]c3c2)nn1,ZVBVVOOKCBFVKO-UHFFFAOYSA-N
rxn:1:59640:11984,COc1ccc(OC)c(-n2cc(-c3ccc(CCN)cc3)nn2)c1,RLPRKXTYRRZKGO-UHFFFAOYSA-N
rxn:1:59915:32000,Brc1cc(Br)c(Cn2cc(-c3ccc([C@H]4CCCN4)cc3)nn2)s1,ZYZVJIFBDBTQAN-CQSZACIVSA-N
rxn:1:59985:31895,COc1cc(C)c(-c2cn([C@@H]3CC[C@H]3I)nn2)cn1,VCUHIKWJLDWQFX-ZYHUDNBSSA-N
rxn:1:59985:32049,COc1cc(-c2cn([C@@H]3CC[C@H]3I)nn2)cnc1CN,ZVTHPFFCDVYOSF-BXKDBHETSA-N
rxn:1:59985:37737,Clc1ccc2c(-c3cn([C@@H]4CC[C@H]4I)nn3)c[nH]c2n1,NCRHYUPCGKVRBE-MWLCHTKSSA-N
rxn:1:61827:11720,CC(C)(CN)Cc1cn(-c2ccc(I)c(Br)c2)nn1,ADIJIWBAKDFKCP-UHFFFAOYSA-N
rxn:1:62327:37754,CC(CBr)Cn1cc(-c2ccc3nc(Cl)ccc3c2)nn1,LEUXHDLAPLXZIB-UHFFFAOYSA-N
rxn:1:62588:1826,CCc1cc(N)ncc1-c1cn(C2CCCC2I)nn1,WUJHGWBJTUHAKM-UHFFFAOYSA-N
rxn:1:62588:1920,CSc1ncnc2c(-c3cn(C4CCCC4I)nn3)csc12,MTINERZYTGWFKP-UHFFFAOYSA-N
rxn:1:62588:31376,CNCCc1ccc(-c2cn(C3CCCC3I)nn2)c(Cl)c1,LEPQLPNBLOAGBN-UHFFFAOYSA-N
rxn:1:62588:31895,COc1cc(C)c(-c2cn(C3CCCC3I)nn2)cn1,PRHIYYRBLDKFGA-UHFFFAOYSA-N
rxn:1:62588:8679,Cc1cc(Cl)cnc1-c1cn(C2CCCC2I)nn1,UAKJMPKXSYRVRV-UHFFFAOYSA-N
rxn:1:62588:8718,Cc1cc(-c2cn(C3CCCC3I)nn2)cnc1N,JAEXYCHAIDHLJL-UHFFFAOYSA-N
rxn:1:63670:2955,Clc1ccc2c(-c3cn(Cc4ccc(Br)s4)nn3)c[nH]c2c1,GYRVNKLYALKNOZ-UHFFFAOYSA-N
rxn:1:63670:32044,Cc1cc(-c2cn(Cc3ccc(Br)s3)nn2)ccc1CN,UUTPZSKJJKDOLN-UHFFFAOYSA-N
rxn:1:65661:3803,Cc1cc(-c2cn(CC=Cc3ccsc3)nn2)ccc1N,OMQSIBTWIKQXGO-UHFFFAOYSA-N
rxn:1:41711:11768,NC[C@H]1CC[C@@H](c2cn(-c3ccc(I)cc3Br)nn2)CC1,NHTWZKWKHHBQQS-PHIMTYICSA-N
rxn:1:41711:2239,NC(C(=O)c1cn(-c2ccc(I)cc2Br)nn1)C1CC1,UDHKGVSJFRRUED-UHFFFAOYSA-N
rxn:1:41711:31232,N[C@@H]1CCC[C@H](c2cn(-c3ccc(I)cc3Br)nn2)C1,VQYPQTBZQZDHJY-GXSJLCMTSA-N
rxn:1:41711:31743,COC[C@@H](N)c1ccc(-c2cn(-c3ccc(I)cc3Br)nn2)cc1,CDUVNQJJXMNPQE-OAHLLOKOSA-N
rxn:1:41711:391,Cc1cc(-c2cn(-c3ccc(I)cc3Br)nn2)cn2ccnc12,WZGYTVVYAYHSCT-UHFFFAOYSA-N
rxn:1:41865:27791,Cc1n[nH]c2nc(-c3cn(CC=Cc4ccc(I)o4)nn3)ncc12,CASYPXCDSUWQLR-UHFFFAOYSA-N
rxn:1:41904:23539,Nc1c(-c2cn(CC#Cc3ccsc3)nn2)oc2nccnc12,ANWMROPNZNDFRI-UHFFFAOYSA-N
rxn:1:41904:31425,Cc1cc(N)c(-c2cn(CC#Cc3ccsc3)nn2)cn1,GGTMUSARMUYYNQ-UHFFFAOYSA-N
rxn:1:41904:31915,Nc1ncnc2[nH]nc(-c3cn(CC#Cc4ccsc4)nn3)c12,KBSKKUOHZOZADM-UHFFFAOYSA-N
rxn:1:41923:23538,Nc1c(-c2cn(CC#Cc3ccsc3Cl)nn2)oc2c(I)cncc12,VJRQWADSOGVSEC-UHFFFAOYSA-N
rxn:1:41923:37762,Fc1cnc(-c2cn(CC#Cc3ccsc3Cl)nn2)cc1Cl,LBKKFZKLEJPHKQ-UHFFFAOYSA-N
rxn:1:47094:20165,CCc1cc(-c2cn(CC(O)C(O)c3ccc(NN)cc3)nn2)n(Cc2cc(C)cc(C)c2)n1,NBWGEKBFTZQGLQ-UHFFFAOYSA-N
rxn:1:55948:28048,NCCC=Cc1ccc(-c2cn(CCI)nn2)cc1,VPCDTNUBKZLKBY-UHFFFAOYSA-N
rxn:1:56928:37863,COc1c(F)ccc(F)c1-c1cn(CC2CC2c2ccc(-c3cc(C(=O)O)[nH]n3)cc2)nn1,UXRAJUHSHIGSEY-UHFFFAOYSA-N
rxn:1:59640:28495,COc1ccc(OC)c(-n2cc(CCON)nn2)c1,FDHBEQRONNHPMU-UHFFFAOYSA-N
rxn:1:59847:2971,Cc1ccc(O)c(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)c1,NOHJGXJVMNAODV-UKRRQHHQSA-N
rxn:1:59985:2955,Clc1ccc2c(-c3cn([C@@H]4CC[C@H]4I)nn3)c[nH]c2c1,VXKMRXVZHBLERU-BXUZGUMPSA-N
rxn:1:59985:32000,I[C@@H]1CC[C@H]1n1cc(-c2ccc([C@H]3CCCN3)cc2)nn1,GMQFFLKWXZASDM-IIAWOOMASA-N
rxn:1:59985:34776,Cc1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cn1,VDBYRCYYLBFLMT-ZYHUDNBSSA-N
rxn:1:59985:37719,I[C@@H]1CC[C@H]1n1cc(-c2ccc3cccnc3n2)nn1,JGLOZEWVLAUPOQ-ZWNOBZJWSA-N
rxn:1:59985:5838,Nc1ncc(Br)nc1OCc1cn([C@@H]2CC[C@H]2I)nn1,FHEFUYHBFRVQNP-HTQZYQBOSA-N
rxn:1:61827:11736,NCC1(Cc2cn(-c3ccc(I)c(Br)c3)nn2)CCC1,KEGFGDXYAXRJDK-UHFFFAOYSA-N
rxn:1:61827:11772,C[C@]1(c2cn(-c3ccc(I)c(Br)c3)nn2)CCCN1,BRMDJVZVAPYNRW-CYBMUJFWSA-N
rxn:1:61827:11846,CCCNCc1cn(-c2ccc(I)c(Br)c2)nn1,RGCYAEPXMNORIP-UHFFFAOYSA-N
rxn:1:61827:12195,CO[C@@H]1CNC[C@H]1c1cn(-c2ccc(I)c(Br)c2)nn1,NEUVXSWSTJIAMR-TVQRCGJNSA-N
rxn:1:61827:7755,CC1(c2cn(-c3ccc(I)c(Br)c3)nn2)CCCN1,BRMDJVZVAPYNRW-UHFFFAOYSA-N
rxn:1:61827:8774,NCCc1cn(-c2ccc(I)c(Br)c2)nn1,MSCFQQLRIPKMAM-UHFFFAOYSA-N
rxn:1:62023:7772,Brc1ccc2c(-c3cn(-c4cccnc4)nn3)c[nH]c2c1,CPRNQUHZYZTXKR-UHFFFAOYSA-N
rxn:1:62588:2520,COc1ccc(-c2cn(C3CCCC3I)nn2)nc1C=O,RDHNQFZSIWTIOB-UHFFFAOYSA-N
rxn:1:62588:37827,Cc1cc(Cl)cc(C)c1-c1cn(C2CCCC2I)nn1,AFHUMPDEIMFOHM-UHFFFAOYSA-N
rxn:1:62588:39073,Nc1cc(Cl)cnc1-c1cn(C2CCCC2I)nn1,WIFUWHKAXJCECG-UHFFFAOYSA-N
rxn:1:62688:30291,Cc1nn(C)c(C)c1-c1cn(-c2cc(I)cc(I)c2I)nn1,SIPDUTHJWCPYOW-UHFFFAOYSA-N
rxn:1:63670:31895,COc1cc(C)c(-c2cn(Cc3ccc(Br)s3)nn2)cn1,HFBZQEAHVKATAB-UHFFFAOYSA-N
rxn:1:65678:3803,Cc1cc(-c2cn(CC=Cc3ccsc3Cl)nn2)ccc1N,BIGICNKGXKRKOT-UHFFFAOYSA-N
rxn:1:41650:1825,Cc1cc(N)ncc1-c1cn(-c2cc(Br)ccc2Cl)nn1,BFWPKSHUKBZXIY-UHFFFAOYSA-N
rxn:1:41904:2050,C[C@@H](N)c1ccc(-c2cn(CC#Cc3ccsc3)nn2)cc1,BNALVXUABDZXHK-CYBMUJFWSA-N
rxn:1:41904:32091,N#Cc1ccc(N)c(-c2cn(CC#Cc3ccsc3)nn2)c1,ICIIAPRDONYWHK-UHFFFAOYSA-N
rxn:1:41907:1825,Cc1cc(N)ncc1-c1cn(-c2ccc(I)cc2Cl)nn1,LKOSGYCQHYINDE-UHFFFAOYSA-N
rxn:1:41921:2918,Cc1cscc1C#CCn1cc(-c2c[nH]c3ncnc(Cl)c23)nn1,SDOKSLYJXVABRL-UHFFFAOYSA-N
rxn:1:41921:38682,Cc1cscc1C#CCn1cc(-c2cnc3nc[nH]c3c2)nn1,PDWVBUJDLIHNLV-UHFFFAOYSA-N
rxn:1:41923:23539,Nc1c(-c2cn(CC#Cc3ccsc3Cl)nn2)oc2nccnc12,FOCZOVOPAHMAJX-UHFFFAOYSA-N
rxn:1:41923:2695,Clc1cc(-c2cn(CC#Cc3ccsc3Cl)nn2)cc(Cl)n1,PSMOKMZXTASGBK-UHFFFAOYSA-N
rxn:1:41923:3674,Nc1ncnc2[nH]cc(-c3cn(CC#Cc4ccsc4Cl)nn3)c12,UPAZSNIAGRGGAA-UHFFFAOYSA-N
rxn:1:41923:39016,Clc1sccc1C#CCn1cc(-c2nccc3[nH]ncc23)nn1,CDRRFSPBSBQVHD-UHFFFAOYSA-N
rxn:1:41923:39017,Clc1sccc1C#CCn1cc(-c2nccc3cn[nH]c23)nn1,IDUXQIQJEZVNRJ-UHFFFAOYSA-N
rxn:1:43799:38932,N#Cc1ccnc(-c2cn(CCC#Cc3ccsc3Cl)nn2)c1,JVVTYDTVDCRSOM-UHFFFAOYSA-N
rxn:1:44538:11521,COc1ncc(C#CCCn2cc(CN(c3ccccc3F)S(=O)(=O)c3cccc(Cl)c3)nn2)cc1C,SADWHXXGKXNJEB-UHFFFAOYSA-N
rxn:1:49433:7351,Cc1cc(Br)ccc1OCc1cn(C2(CI)CNC2)nn1,HEWNSTLMRHSJEA-UHFFFAOYSA-N
rxn:1:57013:38682,Brc1ccc(CCCn2cc(-c3cnc4nc[nH]c4c3)nn2)s1,UWFMILONIAHGAK-UHFFFAOYSA-N
rxn:1:59915:24341,CNC1CC1c1ccc(-c2cn(Cc3sc(Br)cc3Br)nn2)cc1,AOBISCMDZVPRQF-UHFFFAOYSA-N
rxn:1:59985:31166,CSc1ncc(-c2cn([C@@H]3CC[C@H]3I)nn2)cn1,WDFIHIHDDGCOMK-PSASIEDQSA-N
rxn:1:61827:12136,FC1(c2cn(-c3ccc(I)c(Br)c3)nn2)CCCNC1,MDGPSLQBBDFGOD-UHFFFAOYSA-N
rxn:1:61827:12166,COC1(c2cn(-c3ccc(I)c(Br)c3)nn2)CCNC1,QGYNFGIBCKDYLR-UHFFFAOYSA-N
rxn:1:61827:1825,Cc1cc(N)ncc1-c1cn(-c2ccc(I)c(Br)c2)nn1,AWBRUYBUPCHRKR-UHFFFAOYSA-N
rxn:1:61827:3699,Cc1c(N)cncc1-c1cn(-c2ccc(I)c(Br)c2)nn1,GLXMVRMGMUFKHM-UHFFFAOYSA-N
rxn:1:61827:8798,NCc1cccc(-c2cn(-c3ccc(I)c(Br)c3)nn2)c1,HEKMAPLSKBJLKM-UHFFFAOYSA-N
rxn:1:62588:388,Cc1ncc(-c2cn(C3CCCC3I)nn2)c(C)c1Cl,JZKNUVUKHOGGQQ-UHFFFAOYSA-N
rxn:1:62688:11720,CC(C)(CN)Cc1cn(-c2cc(I)cc(I)c2I)nn1,ZFVBXNOYONNMAG-UHFFFAOYSA-N
rxn:1:62688:2140,NC1(C(=O)c2cn(-c3cc(I)cc(I)c3I)nn2)CC1,BTXLXPOLXQODDF-UHFFFAOYSA-N
rxn:1:62688:31588,Cc1nc(C#N)ccc1-c1cn(-c2cc(I)cc(I)c2I)nn1,ZMDGBAZBVIJHCE-UHFFFAOYSA-N
rxn:1:62688:38424,CC(C)N(C)Cc1cn(-c2cc(I)cc(I)c2I)nn1,OBIWNSWNBPRLFP-UHFFFAOYSA-N
rxn:1:62688:39367,CNC(C)c1cn(-c2cc(I)cc(I)c2I)nn1,YPSCUYREDVXMNH-UHFFFAOYSA-N
rxn:1:63670:31372,CNCCc1ccc(-c2cn(Cc3ccc(Br)s3)nn2)cc1Cl,RUPDPVSGQJNBJG-UHFFFAOYSA-N
rxn:1:63670:37822,CSc1ncc(-c2cn(Cc3ccc(Br)s3)nn2)c(C)n1,XGGYQGPFNXAMST-UHFFFAOYSA-N
rxn:1:63670:7772,Brc1ccc2c(-c3cn(Cc4ccc(Br)s4)nn3)c[nH]c2c1,JVCULRSQSGPHIS-UHFFFAOYSA-N
rxn:1:63757:31376,CNCCc1ccc(-c2cn(Cc3ccc(Cl)s3)nn2)c(Cl)c1,HOUMYPGRSIUBKO-UHFFFAOYSA-N
rxn:1:64791:31376,CNCCc1ccc(-c2cn(-c3cc(Br)ccc3O)nn2)c(Cl)c1,IGDUFDLHRVDMAJ-UHFFFAOYSA-N
rxn:1:65024:7379,Cc1cccc(C)c1SCc1cn(C2CCN(C(=O)OC(C)(C)C)C2)nn1,MDXNBPYYJSVTNX-UHFFFAOYSA-N
rxn:1:65753:37717,Cc1n[nH]c2ncc(-c3cn(CC=Cc4cncc(Cl)c4)nn3)cc12,ZQCCGAGFNNUNBU-UHFFFAOYSA-N
rxn:3:43435:412:79776,Cc1cc(C)c(-c2cn(CC#Cc3ccc(C4(C(=O)NCC5CCCCC5C5CC5)CC4)cc3)nn2)cn1,XVJASEGNVLHGDL-UHFFFAOYSA-N
rxn:1:40684:16502,COc1cc(-c2cn(CC=Cc3ccc4oc(N)nc4c3)nn2)ccc1-n1ncc(I)c1C1CC1,DTVHBRJCXFRLIB-UHFFFAOYSA-N
rxn:1:41711:11724,NC[C@H]1CC[C@H](c2cn(-c3ccc(I)cc3Br)nn2)CC1,NHTWZKWKHHBQQS-XYPYZODXSA-N
rxn:1:41711:11848,NC1CCC(c2cn(-c3ccc(I)cc3Br)nn2)CC1,IPVKHMYCFRDEFY-UHFFFAOYSA-N
rxn:1:41711:12136,FC1(c2cn(-c3ccc(I)cc3Br)nn2)CCCNC1,ONTXBQORMBWPCB-UHFFFAOYSA-N
rxn:1:41711:2047,N[C@H](CO)c1ccc(-c2cn(-c3ccc(I)cc3Br)nn2)cc1,KNZWWLFCIYXQTH-CQSZACIVSA-N
rxn:1:41711:31800,Cn1cnc2cc(-c3cn(-c4ccc(I)cc4Br)nn3)ccc21,SHCUDIJRORTTRK-UHFFFAOYSA-N
rxn:1:41904:39019,C(#Cc1ccsc1)Cn1cc(-c2cncc3[nH]ncc23)nn1,MCVQCZLIDYPJPQ-UHFFFAOYSA-N
rxn:1:41923:24035,CCc1cc(-c2cn(CC#Cc3ccsc3Cl)nn2)ccc1N,MNHWTSSBFDPXHS-UHFFFAOYSA-N
rxn:1:41923:31360,Fc1ncc(-c2cn(CC#Cc3ccsc3Cl)nn2)cc1Cl,COBZXDDUPGOEKF-UHFFFAOYSA-N
rxn:1:43708:1825,Cc1cc(N)ncc1-c1cn(-c2cc(Cl)cc(Br)c2)nn1,YFYWRZPFQRLMCL-UHFFFAOYSA-N
rxn:1:44486:36607,CCOc1cccc(-c2ccc(-c3cn(CCC#Cc4cc(C)ccc4C#N)nn3)nc2)c1F,HOIJNZPBWPBSJV-UHFFFAOYSA-N
rxn:1:45949:4172,Cc1cc(C=CCCn2cc(CNc3ncc([N+](=O)[O-])cc3C#N)nn2)cnc1C#N,VGLIPBFSTWYEAJ-UHFFFAOYSA-N
rxn:1:53095:32494,C[C@H](N)c1ccc(-c2cn(CCCBr)nn2)cc1Cl,UBXWYUXIWIVOTA-VIFPVBQESA-N
rxn:1:53681:10036,COc1ccccc1C1C(CCn2cc(COc3cccnc3NC(C)=O)nn2)C1(F)F,UIAMHSZDPKQOTH-UHFFFAOYSA-N
rxn:1:54784:8047,COc1ccc2ccccc2c1C1C(CCn2cc(C(=O)N3CCCC(c4nc(C)cc(O)n4)C3)nn2)C1(F)F,JZXWNHRJIOIGBY-UHFFFAOYSA-N
rxn:1:57012:38682,Clc1ccc(CCCn2cc(-c3cnc4nc[nH]c4c3)nn2)s1,QYWSRQAICQUKOK-UHFFFAOYSA-N
rxn:1:58460:20066,N#Cc1ccc2[nH]cc(CCCn3cc(CN4C(=O)CCSc5ccc(Cl)cc54)nn3)c2c1,FIJQPKYTXMJRPR-UHFFFAOYSA-N
rxn:1:59830:24341,CNC1CC1c1ccc(-c2cn(Cc3ccc(Br)o3)nn2)cc1,XPSPYRUJZGYCCR-UHFFFAOYSA-N
rxn:1:59985:28491,COC(=O)c1ncc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1C,XJUFAESCBGAMHO-ZYHUDNBSSA-N
rxn:1:59985:31331,COc1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1CN,VMOBXZNMMKBHSA-DGCLKSJQSA-N
rxn:1:59985:7777,Fc1ccc2c(-c3cn([C@@H]4CC[C@H]4I)nn3)c[nH]c2c1,XJKSBPVBMHAUPZ-BXUZGUMPSA-N
rxn:1:61827:11753,NCC(O)c1cn(-c2ccc(I)c(Br)c2)nn1,ATCHQIAWBDGXJJ-UHFFFAOYSA-N
rxn:1:61827:11826,CC(O)C(C)c1cn(-c2ccc(I)c(Br)c2)nn1,BGFCPPRPFPUQQZ-UHFFFAOYSA-N
rxn:1:61827:11996,NCC1(c2cn(-c3ccc(I)c(Br)c3)nn2)CCC1,YQONWHKELLGNRM-UHFFFAOYSA-N
rxn:1:61827:2140,NC1(C(=O)c2cn(-c3ccc(I)c(Br)c3)nn2)CC1,UOWYMBLPOBLWRK-UHFFFAOYSA-N
rxn:1:61827:23623,CC(c1cn(-c2ccc(I)c(Br)c2)nn1)n1ccnc1,UBYKVVXNTKDZQS-UHFFFAOYSA-N
rxn:1:61827:3949,N[C@H]1CC[C@H](c2cn(-c3ccc(I)c(Br)c3)nn2)CC1,HFNHEPMFDJCNBH-MGCOHNPYSA-N
rxn:1:62688:23883,OC[C@H]1CNC[C@H]1c1cn(-c2cc(I)cc(I)c2I)nn1,UNBPULGKSINGJU-VXNVDRBHSA-N
rxn:1:62688:558,N[C@@H](CO)Cc1cn(-c2cc(I)cc(I)c2I)nn1,HDSXGPBVMMTEQP-SSDOTTSWSA-N
rxn:1:63670:28691,CNC(C)c1ccc(-c2cn(Cc3ccc(Br)s3)nn2)cc1,GOVAEPQBKQVCAE-UHFFFAOYSA-N
rxn:1:63670:31195,Brc1ccc(Cn2cc(-c3ccc4c(c3)CNC4)nn2)s1,CCRYQCRBEWITSF-UHFFFAOYSA-N
rxn:1:63670:32000,Brc1ccc(Cn2cc(-c3ccc([C@H]4CCCN4)cc3)nn2)s1,HLBCBYSGPAYGQA-OAHLLOKOSA-N
rxn:1:65662:3803,Cc1cc(-c2cn(CC=Cc3cccs3)nn2)ccc1N,GNCRDMRHJANTOS-UHFFFAOYSA-N
rxn:1:65770:8718,Cc1cc(-c2cn(CC=Cc3csc(C#N)c3)nn2)cnc1N,DGWVMRALUNEECE-UHFFFAOYSA-N
rxn:1:41547:23539,Cc1ccc(Br)cc1-n1cc(-c2oc3nccnc3c2N)nn1,FHKCEBHXTNSNGT-UHFFFAOYSA-N
rxn:1:41711:11772,C[C@]1(c2cn(-c3ccc(I)cc3Br)nn2)CCCN1,QNTKAWFELHMHAE-CYBMUJFWSA-N
rxn:1:41711:23539,Nc1c(-c2cn(-c3ccc(I)cc3Br)nn2)oc2nccnc12,GZVXMTPMFBNCFE-UHFFFAOYSA-N
rxn:1:41723:11768,NC[C@H]1CC[C@@H](c2cn(-c3ccc(F)cc3I)nn2)CC1,HADFPULQBTXKTA-PHIMTYICSA-N
rxn:1:41904:37762,Fc1cnc(-c2cn(CC#Cc3ccsc3)nn2)cc1Cl,WEMRGSVVNGWANV-UHFFFAOYSA-N
rxn:1:41921:31927,Cc1cscc1C#CCn1cc(-c2cncnc2N)nn1,DWLUOTOALFCMTD-UHFFFAOYSA-N
rxn:1:41923:24101,Fc1cc(-c2cn(CC#Cc3ccsc3Cl)nn2)cnc1F,SAACXXSAWJINJI-UHFFFAOYSA-N
rxn:1:42016:20555,N#Cc1cc(C#CCn2cc(-c3cnc(Cl)c(I)c3N)nn2)cs1,CTDPZDNMXBMCSY-UHFFFAOYSA-N
rxn:1:42665:23539,Nc1c(-c2cn(-c3cccc(CCl)c3)nn2)oc2nccnc12,XAPTZZIKOVIVLX-UHFFFAOYSA-N
rxn:1:43756:11768,NC[C@H]1CC[C@@H](c2cn(-c3ccc(I)cc3F)nn2)CC1,XYCZOAMEXCNYGJ-PHIMTYICSA-N
rxn:1:54959:38682,Clc1sccc1C1CC1Cn1cc(-c2cnc3nc[nH]c3c2)nn1,WXBQOXMGBNZBNK-UHFFFAOYSA-N
rxn:1:55948:12458,Cc1cc(C(=O)Nc2ccc(-c3cn(CCI)nn3)cc2)ccc1Br,XQGVGXYQWZKAGX-UHFFFAOYSA-N
rxn:1:55948:14011,Clc1cc(-c2cn(CCI)nn2)ccc1OCC1CC1,RJAKNOKLNCOYQA-UHFFFAOYSA-N
rxn:1:55948:28050,CNCCC=Cc1ccc(-c2cn(CCI)nn2)cc1,NALPAQRLZLDCGH-UHFFFAOYSA-N
rxn:1:55948:2912,NC1(c2ccc(-c3cn(CCI)nn3)cc2)CCC1,WWEDKNPQPHZGKC-UHFFFAOYSA-N
rxn:1:57011:31454,Nc1nc(Cl)ncc1-c1cn(CCCc2cscc2Br)nn1,LCEVDIZMAFTYIH-UHFFFAOYSA-N
rxn:1:57043:38682,Brc1nc(CCCn2cc(-c3cnc4nc[nH]c4c3)nn2)cs1,WLUVJHIEVNGZOF-UHFFFAOYSA-N
rxn:1:59847:31425,Cc1cc(N)c(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)cn1,NAFRQELFHHMSBM-IUODEOHRSA-N
rxn:1:59985:3000,Cc1cc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc(C)c1Br,RQGMTPMJBCFLLG-DGCLKSJQSA-N
rxn:1:61827:14984,C=CCNC(=O)c1cn(-c2ccc(I)c(Br)c2)nn1,NSBIKMOOZQNQHJ-UHFFFAOYSA-N
rxn:1:62588:32522,CNc1cc(-c2cn(C3CCCC3I)nn2)ccn1,PDDJGNPBYUJWEH-UHFFFAOYSA-N
rxn:1:62688:1160,CN1CCCC(O)(c2cn(-c3cc(I)cc(I)c3I)nn2)C1,LNHJHKUBXWCMFT-UHFFFAOYSA-N
rxn:1:62688:11772,C[C@]1(c2cn(-c3cc(I)cc(I)c3I)nn2)CCCN1,IMTAABVBWREYAB-CYBMUJFWSA-N
rxn:1:62688:2059,NC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CCC1,YHKHPLMKNKOLIC-UHFFFAOYSA-N
rxn:1:62688:2498,OC1CNCC1c1cn(-c2cc(I)cc(I)c2I)nn1,GHYZWLSFESRGTJ-UHFFFAOYSA-N
rxn:1:62688:38388,CCC(N)(CC)c1cn(-c2cc(I)cc(I)c2I)nn1,ORWDUAJEUCSQQK-UHFFFAOYSA-N
rxn:1:62688:557,N[C@H](CO)Cc1cn(-c2cc(I)cc(I)c2I)nn1,HDSXGPBVMMTEQP-ZETCQYMHSA-N
rxn:1:65306:31376,CNCCc1ccc(-c2cn(Cc3cccs3)nn2)c(Cl)c1,WZNDPNZQNJSWCZ-UHFFFAOYSA-N
rxn:1:65570:23879,COc1ccc(CN2CCOC(Cc3cn(CC4CC(=O)N(c5nc6c(Cl)cccn6n5)C4)nn3)C2=O)cc1,UMXIOSPCVTUDSU-UHFFFAOYSA-N
rxn:1:65661:1663,COC(=O)c1cnc(N)c(-c2cn(CC=Cc3ccsc3)nn2)c1,HUZOUIWGGSAWAO-UHFFFAOYSA-N
rxn:3:40002:6999:67419,CC(C)c1ccc2c(c1)OC[C@H]2NC(=O)c1sccc1C=CCn1cc(-c2nccnc2C#N)nn1,CDKSQWFZEJJEQS-JOCHJYFZSA-N
rxn:1:40644:32285,Cc1nn(C(=O)OC(C)(C)C)c2ccc(-c3cn(CC=Cc4ccc5cc[nH]c5c4)nn3)cc12,ROIWXTJCBYZYEA-UHFFFAOYSA-N
rxn:1:41711:11720,CC(C)(CN)Cc1cn(-c2ccc(I)cc2Br)nn1,XIGNEHYOKOPFJO-UHFFFAOYSA-N
rxn:1:41711:2061,NC1(C(=O)c2cn(-c3ccc(I)cc3Br)nn2)CCC1,XSEOKYOVXVIUJO-UHFFFAOYSA-N
rxn:1:41711:6010,NCc1cc(-c2cn(-c3ccc(I)cc3Br)nn2)co1,OHTXNYMBMRQKAT-UHFFFAOYSA-N
rxn:1:41790:37717,Cc1n[nH]c2ncc(-c3cn(CC=Cc4sccc4Br)nn3)cc12,PECNNKQFLXJQFD-UHFFFAOYSA-N
rxn:1:41904:23538,Nc1c(-c2cn(CC#Cc3ccsc3)nn2)oc2c(I)cncc12,WBJOZIGBHTUICP-UHFFFAOYSA-N
rxn:1:41904:24035,CCc1cc(-c2cn(CC#Cc3ccsc3)nn2)ccc1N,RPKFSHIQOBPCPS-UHFFFAOYSA-N
rxn:1:41904:31469,Cc1ncc(-c2cn(CC#Cc3ccsc3)nn2)cc1N,VMDLDHONOOGHSU-UHFFFAOYSA-N
rxn:1:41904:39016,C(#Cc1ccsc1)Cn1cc(-c2nccc3[nH]ncc23)nn1,OSWZSIDQWZNMDL-UHFFFAOYSA-N
rxn:1:41907:11768,NC[C@H]1CC[C@@H](c2cn(-c3ccc(I)cc3Cl)nn2)CC1,CGQVIYUGBVASKF-PHIMTYICSA-N
rxn:1:41907:3699,Cc1c(N)cncc1-c1cn(-c2ccc(I)cc2Cl)nn1,TWDGLEJKRVZYJX-UHFFFAOYSA-N
rxn:1:41918:1825,Cc1cc(N)ncc1-c1cn(-c2ccc(Cl)cc2I)nn1,IYZMKXAGELPBCG-UHFFFAOYSA-N
rxn:1:41977:2983,Nc1ccncc1C#CCn1cc(Cc2ccc(Br)s2)nn1,OLGLJOAGUGLTKQ-UHFFFAOYSA-N
rxn:1:42507:24393,CCOc1ccccc1C#CCn1cc(C2CC(=O)N(C3CC(C)CC(C)(C)C3)C2)nn1,WPNVRPINFMCGEV-UHFFFAOYSA-N
rxn:1:43683:39292,CSCc1cn(CC#Cc2cc(Cl)ncc2Br)nn1,GCNIYTPRBJGXSH-UHFFFAOYSA-N
rxn:1:55948:2137,O=Cc1cc(Br)ccc1OCc1cn(CCI)nn1,KFQDCGKAVWPQCZ-UHFFFAOYSA-N
rxn:1:55948:23521,Cc1cnc2oc(-c3cn(CCI)nn3)c(N)c2c1,WPSZIOIOJWCHON-UHFFFAOYSA-N
rxn:1:55948:23522,CC(C)c1ccc2c(N)c(-c3cn(CCI)nn3)oc2n1,NNEUPKYAEDWISN-UHFFFAOYSA-N
rxn:1:55948:31376,CNCCc1ccc(-c2cn(CCI)nn2)c(Cl)c1,SOKYTGPZCABMJL-UHFFFAOYSA-N
rxn:1:55948:3505,O=Cc1cc(I)cc(F)c1OCc1cn(CCI)nn1,AJDBWVPDKALFGT-UHFFFAOYSA-N
rxn:1:56591:10818,NC(=O)NCc1cn(CC2CC2c2cc([N+](=O)[O-])c(F)cc2F)nn1,QYIMZFSRHXUTNV-UHFFFAOYSA-N
rxn:1:57013:28139,Nc1ncc(-c2cn(CCCc3ccc(Br)s3)nn2)c(N)n1,MFSCLWFJSRWKOL-UHFFFAOYSA-N
rxn:1:57013:39021,Brc1ccc(CCCn2cc(-c3cnc4[nH]ncc4c3)nn2)s1,GVIKTCWEHGSGEY-UHFFFAOYSA-N
rxn:1:58126:32462,CCN(CCn1cc(-c2nccc(C(F)F)n2)nn1)c1ccccc1F,SQXMABRKWKTMBL-UHFFFAOYSA-N
rxn:1:59779:6772,O=CCc1cn(Cc2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)nc1-c1ccccc1,RKQFERPSLGVVKM-UHFFFAOYSA-N
rxn:1:59985:32041,COc1cc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc(Cl)c1CN,DZOXJNRSMJXHJZ-DGCLKSJQSA-N
rxn:1:61827:2060,O=C(c1cn(-c2ccc(I)c(Br)c2)nn1)C1CNC1,LJYYQKYDRGJIAY-UHFFFAOYSA-N
rxn:1:61827:23085,Brc1cc(-n2cc(C34CCC3CNC4)nn2)ccc1I,CMFIHRAPFSGGCA-UHFFFAOYSA-N
rxn:1:62588:2836,NC1CC1c1ccc(-c2cn(C3CCCC3I)nn2)cc1,HMMMFTLYIBVURX-UHFFFAOYSA-N
rxn:1:62688:2054,C[C@@]1(c2cn(-c3cc(I)cc(I)c3I)nn2)CCCN1,IMTAABVBWREYAB-ZDUSSCGKSA-N
rxn:1:62688:31786,NC(CCO)c1cn(-c2cc(I)cc(I)c2I)nn1,OGAHGCWZMNRGCM-UHFFFAOYSA-N
rxn:1:62688:39421,FC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CCNC1,SFTLUBUXGFGTIR-UHFFFAOYSA-N
rxn:1:62688:4091,NC1CC1NC(=O)c1cn(-c2cc(I)cc(I)c2I)nn1,INHPYXNVHHNPOA-UHFFFAOYSA-N
rxn:1:62688:7755,CC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CCCN1,IMTAABVBWREYAB-UHFFFAOYSA-N
rxn:1:65678:8718,Cc1cc(-c2cn(CC=Cc3ccsc3Cl)nn2)cnc1N,WPQMDGGERBHNQL-UHFFFAOYSA-N
rxn:3:51876:39337:92078,Cc1ccc(C(NC(=O)c2cscc2C2CC2CCn2cc(C3CCC(C(C)(C)C)CC3)nn2)C2CC2)cc1C,NNAPBJKGZUHFOK-UHFFFAOYSA-N
rxn:3:58129:282:160050,Cc1nc(Cc2cn(CCCc3ccc(C)c(C(=O)Nc4cccc(-c5ccc6c(c5)CC(C)(C)O6)c4)c3)nn2)cs1,IIRJTOCGQNITBB-UHFFFAOYSA-N
rxn:3:60396:18599:84868,COc1ccc(C(C)C)cc1NC(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(-c4nn(C(C)C(C)(C)C)cc4C4CCC4)nn3)nc2c1,KCKJYKNWYPUENT-UHFFFAOYSA-N
rxn:1:41458:11768,NC[C@H]1CC[C@@H](c2cn(-c3ccc(F)cc3Br)nn2)CC1,IVIMMZPKUPQVLL-PHIMTYICSA-N
rxn:1:41711:23623,CC(c1cn(-c2ccc(I)cc2Br)nn1)n1ccnc1,UBZQYKPMVKAXEM-UHFFFAOYSA-N
rxn:1:41791:37717,Cc1n[nH]c2ncc(-c3cn(CC=Cc4cc(Br)cs4)nn3)cc12,IZLJNKXLEDHHOH-UHFFFAOYSA-N
rxn:1:41904:32521,Fc1ncc(-c2cn(CC#Cc3ccsc3)nn2)cc1Br,MFMYDNVFJPUBGF-UHFFFAOYSA-N
rxn:1:41917:20555,Cc1sccc1C#CCn1cc(-c2cnc(Cl)c(I)c2N)nn1,GOABAKCVDWHVGH-UHFFFAOYSA-N
rxn:1:41917:31454,Cc1sccc1C#CCn1cc(-c2cnc(Cl)nc2N)nn1,UWQJPVBGJFTTGX-UHFFFAOYSA-N
rxn:1:41923:35061,Clc1sccc1C#CCn1cc(-c2ccc3nccnc3c2)nn1,FNQFYRYLYUBFIK-UHFFFAOYSA-N
rxn:1:41923:9307,Fc1cncc(-c2cn(CC#Cc3ccsc3Cl)nn2)c1,FXWWMWVYHLVXGJ-UHFFFAOYSA-N
rxn:1:41926:20555,Cc1n[nH]cc1C#CCn1cc(-c2cnc(Cl)c(I)c2N)nn1,BRLRZTYZHFEGJH-UHFFFAOYSA-N
rxn:1:42029:2042,Cc1ccc(-n2cc([C@@]3(C)CCCN3)nn2)cc1I,CWZFNPXXPUUXBA-CQSZACIVSA-N
rxn:1:43781:39021,C(#Cc1ccsc1)CCn1cc(-c2cnc3[nH]ncc3c2)nn1,MQXOLFYXSYLSDI-UHFFFAOYSA-N
rxn:1:51384:20555,CCC(C)C(C)n1cc(-c2cnc(Cl)c(I)c2N)nn1,IDJZAKKFPGBFQN-UHFFFAOYSA-N
rxn:1:51571:20555,Nc1c(-c2cn(CCC3CC3c3cscn3)nn2)cnc(Cl)c1I,KLSFSWPWWAKYOQ-UHFFFAOYSA-N
rxn:1:53017:39021,c1cc(CCCn2cc(-c3cnc4[nH]ncc4c3)nn2)cs1,WHDJCFWOSSTRCP-UHFFFAOYSA-N
rxn:1:53095:31811,CC(N)c1ccc(-c2cn(CCCBr)nn2)cc1Cl,UBXWYUXIWIVOTA-UHFFFAOYSA-N
rxn:1:55948:31609,CNC[C@H](C)c1ccc(-c2cn(CCI)nn2)cc1,JLJPIGJXEKYXKX-NSHDSACASA-N
rxn:1:55948:36849,Cc1ncc(O)cc1-c1ccc(-c2cn(CCI)nn2)cc1,JEEDREZHMAWIKL-UHFFFAOYSA-N
rxn:1:55948:37822,CSc1ncc(-c2cn(CCI)nn2)c(C)n1,WDMPZTMFVSTLLT-UHFFFAOYSA-N
rxn:1:55948:39489,CCCOc1cccc(-c2cn(CCI)nn2)c1,JGMJLTWPYIJCCF-UHFFFAOYSA-N
rxn:1:57075:20555,Nc1c(-c2cn(CCCc3cscc3C=O)nn2)cnc(Cl)c1I,JSVZGUJZBFBHDH-UHFFFAOYSA-N
rxn:1:59830:2955,Clc1ccc2c(-c3cn(Cc4ccc(Br)o4)nn3)c[nH]c2c1,ZYRJSMUZWDTVCO-UHFFFAOYSA-N
rxn:1:59915:27954,NCC=Cc1ccc(-c2cn(Cc3sc(Br)cc3Br)nn2)cc1,MYLPTFXCSLKLME-UHFFFAOYSA-N
rxn:1:59915:28691,CNC(C)c1ccc(-c2cn(Cc3sc(Br)cc3Br)nn2)cc1,ARDCGYIYKWMIDK-UHFFFAOYSA-N
rxn:1:59915:2912,NC1(c2ccc(-c3cn(Cc4sc(Br)cc4Br)nn3)cc2)CCC1,FBNUOXGOWUUDGV-UHFFFAOYSA-N
rxn:1:59985:7776,Clc1cccc2c(-c3cn([C@@H]4CC[C@H]4I)nn3)c[nH]c12,GQEZOYOXLDSNJW-DGCLKSJQSA-N
rxn:1:59997:20555,CS[C@@H]1CCC[C@@H]1n1cc(-c2cnc(Cl)c(I)c2N)nn1,WXXGPOWRCWUTFP-VHSXEESVSA-N
rxn:1:61827:11741,NCC1CC1c1cn(-c2ccc(I)c(Br)c2)nn1,BGUXRZUQRBTAKM-UHFFFAOYSA-N
rxn:1:61827:9269,CC(C)C(O)Cc1cn(-c2ccc(I)c(Br)c2)nn1,YAPUCQVUSAEVDJ-UHFFFAOYSA-N
rxn:1:62688:2058,NC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CCOC1,MJMISNQVBCGKTE-UHFFFAOYSA-N
rxn:1:62688:665,NC1CCCCC1c1cn(-c2cc(I)cc(I)c2I)nn1,HXPRFRRAQYSPGS-UHFFFAOYSA-N
rxn:1:40495:15882,CCc1nn(-c2cc(OC)ccc2C)cc1-c1cn(CC=Cc2cc(Cl)ccc2C#N)nn1,NMTXKEFKYUROHX-UHFFFAOYSA-N
rxn:1:41711:578,Cc1cnc(-c2cn(-c3ccc(I)cc3Br)nn2)c(N)c1,MEQAWAVLFRHUQR-UHFFFAOYSA-N
rxn:1:41711:7288,CNC(c1cn(-c2ccc(I)cc2Br)nn1)C1CCC1,PCGFWZNPPUOABP-UHFFFAOYSA-N
rxn:1:41907:11720,CC(C)(CN)Cc1cn(-c2ccc(I)cc2Cl)nn1,PJQRNSLEVDGFPY-UHFFFAOYSA-N
rxn:1:41917:8718,Cc1cc(-c2cn(CC#Cc3ccsc3C)nn2)cnc1N,XFZHZNIMYNSHPD-UHFFFAOYSA-N
rxn:1:41921:8718,Cc1cscc1C#CCn1cc(-c2cnc(N)c(C)c2)nn1,FGZDZFYUSPAGID-UHFFFAOYSA-N
rxn:1:41923:39019,Clc1sccc1C#CCn1cc(-c2cncc3[nH]ncc23)nn1,XJDSYAFZIGOXKY-UHFFFAOYSA-N
rxn:1:42234:38814,Nc1c(Br)cncc1-c1cn(CC#Cc2cnc(Cl)nc2Cl)nn1,OABWKOIGNFEGGC-UHFFFAOYSA-N
rxn:1:43671:1461,Nc1ccnc(Cl)c1C#CCn1cc(-c2cc(Cl)c(Cl)c(Cl)c2)nn1,QJLKQZMIEGHWTH-UHFFFAOYSA-N
rxn:1:43781:37717,Cc1n[nH]c2ncc(-c3cn(CCC#Cc4ccsc4)nn3)cc12,MJDLETYLCLBDTQ-UHFFFAOYSA-N
rxn:1:49324:19826,COc1cc(Cn2nc(C)cc2-c2cn([C@@H]3COC[C@H]3N3CCCCC3)nn2)ccc1Cl,AVBPMCIWRILCOS-FGZHOGPDSA-N
rxn:1:49432:1826,CCc1cc(N)ncc1-c1cn(C2(CI)CCNC2)nn1,UFQCJNZEWYXWHC-UHFFFAOYSA-N
rxn:1:49433:2912,NC1(c2ccc(-c3cn(C4(CI)CNC4)nn3)cc2)CCC1,VXLMUYRQNUUVDK-UHFFFAOYSA-N
rxn:1:50513:8718,Cc1cc(-c2cn(CCCCCI)nn2)cnc1N,IKRVORIBKUSRIJ-UHFFFAOYSA-N
rxn:1:51617:8718,Cc1cc(-c2cn(CCC3CC3c3csc(Br)n3)nn2)cnc1N,ZHICGIVZRKYZLL-UHFFFAOYSA-N
rxn:1:52479:31376,CNCCc1ccc(-c2cn(Cc3csc(Br)n3)nn2)c(Cl)c1,VXZRZSPXNFXMNV-UHFFFAOYSA-N
rxn:1:53017:8718,Cc1cc(-c2cn(CCCc3ccsc3)nn2)cnc1N,CZZJYTIHICMSFQ-UHFFFAOYSA-N
rxn:1:55322:38727,Nc1cc(C2CC2Cn2cc(-c3cncc([N+](=O)[O-])c3)nn2)cnc1Cl,QNOUONATSWYJEH-UHFFFAOYSA-N
rxn:1:55948:24342,CNCC1CC1c1ccc(-c2cn(CCI)nn2)cc1,ZDGDIXIWHWCQKJ-UHFFFAOYSA-N
rxn:1:55948:2527,COC(=N)c1ccc(-c2cn(CCI)nn2)cn1,XEQMYGRWPMLLDM-UHFFFAOYSA-N
rxn:1:59985:22633,NCc1cnn(-c2ccc(-c3cn([C@@H]4CC[C@H]4I)nn3)cc2)c1I,DNCJMYSDYHNBJY-UKRRQHHQSA-N
rxn:1:59985:23584,Nc1c(-c2cn([C@@H]3CC[C@H]3I)nn2)oc2ncc(Cl)cc12,FLCSKQOCZWGARV-PSASIEDQSA-N
rxn:1:61827:38536,NC1(Cc2cn(-c3ccc(I)c(Br)c3)nn2)CCC1,UWKCPJWXZPQSQD-UHFFFAOYSA-N
rxn:1:62178:22911,Nc1c(I)c(C2CNC2)nn1-c1cncc(-c2cn(-c3ccc4c(c3)CNCC4)nn2)c1,DKPODBKLQQQATK-UHFFFAOYSA-N
rxn:1:62327:1858,CC(CBr)Cn1cc(-c2cnc3cccnc3c2)nn1,PKQZWBKDMXEPLO-UHFFFAOYSA-N
rxn:1:62565:10331,COc1ccccc1Cc1nc2sc3c(c2c(=O)n1Cc1cn(-c2ccnc4[nH]cc(I)c24)nn1)CCC3,RZQNHEUDXPNUKC-UHFFFAOYSA-N
rxn:1:62688:2228,NC(c1cn(-c2cc(I)cc(I)c2I)nn1)C1CCC1,AWYLKEYAPUZGSJ-UHFFFAOYSA-N
rxn:1:62688:23085,Ic1cc(I)c(I)c(-n2cc(C34CCC3CNC4)nn2)c1,IUFSVNHGINSFEL-UHFFFAOYSA-N
rxn:1:62688:31399,N[C@@H]1CCC[C@@H]1Cc1cn(-c2cc(I)cc(I)c2I)nn1,XDKNHSGJVJTOEL-PRHODGIISA-N
rxn:1:62688:37700,N[C@H]1C=C(c2cn(-c3cc(I)cc(I)c3I)nn2)CC1,GJCLEICDIIVWHJ-SECBINFHSA-N
rxn:1:63670:35061,Brc1ccc(Cn2cc(-c3ccc4nccnc4c3)nn2)s1,DXPMTWUHLHZNQM-UHFFFAOYSA-N
rxn:3:56513:6356:127434,COc1ccc(C2CC2Cn2cc(-c3nccc4sccc34)nn2)c(C(=O)NCC2(OC)COC2)c1,VGYQLUBNMUNMCW-UHFFFAOYSA-N
rxn:3:65401:444:121171,Cc1cc(-c2cn(CC3CC(=O)N(c4cncc(C(=O)NC[C@@H]5C[C@@H]6C[C@H]5CO6)n4)C3)nn2)c2cc(F)ccc2n1,VBBIVXOBLFBXFG-UKMZSXBKSA-N
rxn:1:41227:20555,Cc1n[nH]c(C)c1-n1cc(-c2cnc(Cl)c(I)c2N)nn1,BGGDSTMEXWNMCU-UHFFFAOYSA-N
rxn:1:41711:23085,Brc1cc(I)ccc1-n1cc(C23CCC2CNC3)nn1,YCHUTGPSOSNSPL-UHFFFAOYSA-N
rxn:1:41711:27954,NCC=Cc1ccc(-c2cn(-c3ccc(I)cc3Br)nn2)cc1,XJVQPWTYFZCFOZ-UHFFFAOYSA-N
rxn:1:41792:37717,Cc1n[nH]c2ncc(-c3cn(CC=Cc4sccc4Cl)nn3)cc12,HGTJYFQSKZTUCU-UHFFFAOYSA-N
rxn:1:41904:31523,Fc1cncc(-c2cn(CC#Cc3ccsc3)nn2)c1Cl,UKKCALXVLMQELA-UHFFFAOYSA-N
rxn:1:41904:3674,Nc1ncnc2[nH]cc(-c3cn(CC#Cc4ccsc4)nn3)c12,MFGHWZASWWRACJ-UHFFFAOYSA-N
rxn:1:41923:7252,CC(C)[C@H](N)c1cn(CC#Cc2ccsc2Cl)nn1,PATRXYDLKCNNER-LBPRGKRZSA-N
rxn:1:42530:3488,O=S1(=O)NC(c2ccc(OCc3cn(CC#Cc4cc(O)c(F)c(F)c4)nn3)cc2)=Nc2ccccc21,JWIRSXSTDHPMDK-UHFFFAOYSA-N
rxn:1:43719:24172,C[C@H]1CNC[C@@H]1c1cn(-c2ccc(Cl)c(I)c2)nn1,SLQSQMCLPLZEPP-WPRPVWTQSA-N
rxn:1:43756:11724,NC[C@H]1CC[C@H](c2cn(-c3ccc(I)cc3F)nn2)CC1,XYCZOAMEXCNYGJ-XYPYZODXSA-N
rxn:1:43799:38363,N#Cc1ccc(-c2cn(CCC#Cc3ccsc3Cl)nn2)cn1,HBDYACGIMWHAIZ-UHFFFAOYSA-N
rxn:1:53017:37717,Cc1n[nH]c2ncc(-c3cn(CCCc4ccsc4)nn3)cc12,AANQOMBMRGDVCC-UHFFFAOYSA-N
rxn:1:54960:8718,Cc1cc(-c2cn(CC3CC3c3cscc3Br)nn2)cnc1N,RYHLBVLBQZYOOF-UHFFFAOYSA-N
rxn:1:55948:27875,Cc1cc(C)c2cc(-c3cn(CCI)nn3)ccc2n1,OZBDHKYWDDSRAR-UHFFFAOYSA-N
rxn:1:55948:31811,CC(N)c1ccc(-c2cn(CCI)nn2)cc1Cl,QFKXQTFEOGZWBR-UHFFFAOYSA-N
rxn:1:55948:39264,Cc1ccc2cc(-c3cn(CCI)nn3)ccc2n1,NPHUYZMVHFQAHX-UHFFFAOYSA-N
rxn:1:56986:8718,Cc1cc(-c2cn(-c3cccc(CCCS)c3)nn2)cnc1N,UFOJYMQANMHYBQ-UHFFFAOYSA-N
rxn:1:57011:8718,Cc1cc(-c2cn(CCCc3cscc3Br)nn2)cnc1N,KNLYHARBRGYHJW-UHFFFAOYSA-N
rxn:1:57012:39021,Clc1ccc(CCCn2cc(-c3cnc4[nH]ncc4c3)nn2)s1,AONQBBSXCAFUBC-UHFFFAOYSA-N
rxn:1:59830:3699,Cc1c(N)cncc1-c1cn(Cc2ccc(Br)o2)nn1,TULCSZACSTVMNO-UHFFFAOYSA-N
rxn:1:59982:20555,NCc1ccncc1-n1cc(-c2cnc(Cl)c(I)c2N)nn1,QOLDABOICPQMPH-UHFFFAOYSA-N
rxn:1:59985:1972,Cc1ccc2c(-c3cn([C@@H]4CC[C@H]4I)nn3)n[nH]c2c1,FTOKQTXFGMHJLS-ZWNOBZJWSA-N
rxn:1:59985:31376,CNCCc1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)c(Cl)c1,VCYATXBISCRKLJ-UKRRQHHQSA-N
rxn:1:61506:8718,Cc1cc(-c2cn(CCCC#CCBr)nn2)cnc1N,BZJVVRWYIMLOHR-UHFFFAOYSA-N
rxn:1:62327:8718,Cc1cc(-c2cn(CC(C)CBr)nn2)cnc1N,IXDRBEPRAFTGCO-UHFFFAOYSA-N
rxn:1:62588:31804,CCOC(=O)c1cc(C)c(-c2cn(C3CCCC3I)nn2)n1C,CULSLAHGLSZOLV-UHFFFAOYSA-N
rxn:1:62688:6125,Cc1c(-c2cn(-c3cc(I)cc(I)c3I)nn2)cnn1CCO,KSBMHIKUZDPOHY-UHFFFAOYSA-N
rxn:1:63757:32000,Clc1ccc(Cn2cc(-c3ccc([C@H]4CCCN4)cc3)nn2)s1,OUMUUMYFCULTED-OAHLLOKOSA-N
rxn:1:65328:28048,NCCC=Cc1ccc(-c2cn(CCBr)nn2)cc1,RBXIZLNVYZGDCV-UHFFFAOYSA-N
rxn:1:65661:31454,Nc1nc(Cl)ncc1-c1cn(CC=Cc2ccsc2)nn1,WEEISWMWBFECCQ-UHFFFAOYSA-N
rxn:3:42128:6578:123614,O=C(Nc1ccccc1)c1sccc1C#CCn1cc(CN2CCn3nc(-c4cccs4)cc3C2)nn1,NNTOKQODTDNSEY-UHFFFAOYSA-N
rxn:3:42567:15587:104645,Cc1ccsc1C1(C2(CNC(=O)c3ncc(C#CCn4cc(Cn5cc(C#N)c(CC6CCCC6)n5)nn4)cn3)CCC2)COC1,RNOMGGHALOPXNB-UHFFFAOYSA-N
rxn:3:44926:16781:109881,Cc1c(-c2cn(CCC#Cc3cc(F)c(F)cc3C(=O)NCC3COCC(C)O3)nn2)cnn1-c1ccccc1,ZIXVAJIIDFNTGR-UHFFFAOYSA-N
rxn:3:55465:18693:84107,CCc1cccc(C(C)(C)NC(=O)c2cnc(C3CC3Cn3cc(-c4cn(-c5ccc(C)cc5)nc4C4CC4)nn3)s2)c1,CMAOMVDYHYJLNY-UHFFFAOYSA-N
rxn:1:41711:2035,NC1CCC(c2cn(-c3ccc(I)cc3Br)nn2)C1,LCVSCQALRRSOGX-UHFFFAOYSA-N
rxn:1:41711:23839,Brc1cc(I)ccc1-n1cc(C2NCC3CCC32)nn1,HTFKUFZPEVIQFA-UHFFFAOYSA-N
rxn:1:41711:3733,Cc1ncc(N)cc1-c1cn(-c2ccc(I)cc2Br)nn1,AKPHYQOLOVPIHK-UHFFFAOYSA-N
rxn:1:41711:6125,Cc1c(-c2cn(-c3ccc(I)cc3Br)nn2)cnn1CCO,VZXSRXQYGSMADI-UHFFFAOYSA-N
rxn:1:41836:11768,NC[C@H]1CC[C@@H](c2cn(-c3cc(F)ccc3Br)nn2)CC1,JVCMVUIQHJGFBH-PHIMTYICSA-N
rxn:1:41904:23656,C(#Cc1ccsc1)Cn1cc(-c2c[nH]c3ncncc23)nn1,QAZZHQMBRQTUJM-UHFFFAOYSA-N
rxn:1:41904:8558,Nc1n[nH]c2cc(-c3cn(CC#Cc4ccsc4)nn3)ccc12,JKCKCRIOYYDXDT-UHFFFAOYSA-N
rxn:1:41916:31454,Cc1cc(C#CCn2cc(-c3cnc(Cl)nc3N)nn2)cs1,NHEWHPUVPWSIFJ-UHFFFAOYSA-N
rxn:1:42250:12269,Nc1cc(Cl)cc(C#CCn2cc(-c3cncc(C=O)c3)nn2)c1,CBRDJSOLJYWGJS-UHFFFAOYSA-N
rxn:1:43683:31811,CC(N)c1ccc(-c2cn(CC#Cc3cc(Cl)ncc3Br)nn2)cc1Cl,IWLWQXHKAILINV-UHFFFAOYSA-N
rxn:1:48190:31675,COc1cc(S(N)(=O)=O)ccc1NCc1cn(CC(O)C(O)c2cc(Cl)cc(Br)c2)nn1,AWEIPPDRVYOMKZ-UHFFFAOYSA-N
rxn:1:50475:37222,COc1cc(N)ccc1C1C(Cn2cc(-c3cccc(-c4c5c(cc6c4CCC6)C=C(C)C5)c3)nn2)C1(F)F,JTCDNSIOFBGPMU-UHFFFAOYSA-N
rxn:1:53452:20555,Nc1c(-c2cn(C3CC4CCC3(N)C4)nn2)cnc(Cl)c1I,QPKUKTJTANZQPN-UHFFFAOYSA-N
rxn:1:54992:20555,Nc1c(-c2cn(CC3CC3c3csc(Br)n3)nn2)cnc(Cl)c1I,BKEMEYQDKNDWIS-UHFFFAOYSA-N
rxn:1:55948:11749,CCOC(=O)c1[nH]c(C)c(-c2cn(CCI)nn2)c1C,FJZZCPMILVKCQQ-UHFFFAOYSA-N
rxn:1:55948:37345,COc1ncc(-c2cccc(-c3cn(CCI)nn3)c2)c(C)n1,AWZLRJVCVUTTFB-UHFFFAOYSA-N
rxn:1:55948:855,Fc1cc(OCc2cn(CCI)nn2)ccc1Br,NEWXDPSCLNNKTO-UHFFFAOYSA-N
rxn:1:56069:20555,CC(C)(F)C(C)(F)Cn1cc(-c2cnc(Cl)c(I)c2N)nn1,FGLJUZGHEWSBAE-UHFFFAOYSA-N
rxn:1:56097:16145,COc1ccc(-n2cc(-c3cn(CC4CC4c4ccc(S(C)(=O)=O)cc4)nn3)c(CC3CCCC3)n2)cc1Cl,JVDSTYGYUXWSRJ-UHFFFAOYSA-N
rxn:1:58687:31259,Oc1ccnc(-c2cn(CCCCc3cscc3Br)nn2)c1,MXPNQEKZMZOSRM-UHFFFAOYSA-N
rxn:1:59985:14101,CNc1cnc(C)c(-c2cn([C@@H]3CC[C@H]3I)nn2)c1,IDHFEWBTMXTZBJ-DGCLKSJQSA-N
rxn:1:59985:1858,I[C@@H]1CC[C@H]1n1cc(-c2cnc3cccnc3c2)nn1,OUVUJBDTBQZGDC-QMTHXVAHSA-N
rxn:1:59985:2050,C[C@@H](N)c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1,XQODKXBXVJFAOB-GAJTVXKRSA-N
rxn:1:59985:36849,Cc1ncc(O)cc1-c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1,IIOKIEBXIDKUEM-SJLPKXTDSA-N
rxn:1:62588:23656,IC1CCCC1n1cc(-c2c[nH]c3ncncc23)nn1,UPWFNTNWKNPUAH-UHFFFAOYSA-N
rxn:1:62688:0,CC(C)(N)c1cn(-c2cc(I)cc(I)c2I)nn1,LGQPEWKRGAKTEB-UHFFFAOYSA-N
rxn:1:62688:18086,Cn1nc2c(c1-c1cn(-c3cc(I)cc(I)c3I)nn1)CNCC2,WIMMONXHQPSNCG-UHFFFAOYSA-N
rxn:1:62688:2196,CN1CCCCC1c1cn(-c2cc(I)cc(I)c2I)nn1,XMGVSTRNGQGIMV-UHFFFAOYSA-N
rxn:1:62688:31436,O=Cc1cc(-c2cn(-c3cc(I)cc(I)c3I)nn2)ccn1,MUTKEVIAGAGMKI-UHFFFAOYSA-N
rxn:1:62688:31609,CNC[C@H](C)c1ccc(-c2cn(-c3cc(I)cc(I)c3I)nn2)cc1,PPOWCAGMYOTIAH-NSHDSACASA-N
rxn:1:63757:245,Clc1ccc(Cn2cc(-c3cncc(OCC4CC4)c3)nn2)s1,YFANXDQCLDWSHI-UHFFFAOYSA-N
rxn:1:63757:28691,CNC(C)c1ccc(-c2cn(Cc3ccc(Cl)s3)nn2)cc1,QOOXYWFVDVTDNE-UHFFFAOYSA-N
rxn:1:65661:37839,O=C1NCc2cc(-c3cn(CC=Cc4ccsc4)nn3)ccc21,PIDOLKXVFUYBFE-UHFFFAOYSA-N
rxn:1:65678:31469,Cc1ncc(-c2cn(CC=Cc3ccsc3Cl)nn2)cc1N,MTHGVYDRHWJUFL-UHFFFAOYSA-N
rxn:3:58112:38978:113768,COc1ccc(OC)c2c1CCC(C)CC2NC(=O)c1cc(F)cc(CCCn2cc(-c3cccc4c3CCC4)nn2)c1,HZTWCMJXYBNNLX-UHFFFAOYSA-N
rxn:1:41711:11736,NCC1(Cc2cn(-c3ccc(I)cc3Br)nn2)CCC1,TUZBCVNDIKKAJK-UHFFFAOYSA-N
rxn:1:41711:23873,CN1CCC[C@H]1c1cncc(-c2cn(-c3ccc(I)cc3Br)nn2)c1,DNIFXLCVOMIZAC-KRWDZBQOSA-N
rxn:1:41865:3674,Nc1ncnc2[nH]cc(-c3cn(CC=Cc4ccc(I)o4)nn3)c12,YRNHVQTURHLRLP-UHFFFAOYSA-N
rxn:1:41904:31896,Ic1cnccc1-c1cn(CC#Cc2ccsc2)nn1,JSLUJJIOZWQOJR-UHFFFAOYSA-N
rxn:1:41917:2918,Cc1sccc1C#CCn1cc(-c2c[nH]c3ncnc(Cl)c23)nn1,GAAMHSFJXATQSB-UHFFFAOYSA-N
rxn:1:41921:38814,Cc1cscc1C#CCn1cc(-c2cncc(Br)c2N)nn1,DNHSGYGWNBFQDC-UHFFFAOYSA-N
rxn:1:41924:31463,Fc1cc(-c2cn(CC#Cc3ccc(Cl)s3)nn2)cnc1Cl,ZDYGQTNTTVQGBY-UHFFFAOYSA-N
rxn:1:41984:2983,Nc1cnccc1C#CCn1cc(Cc2ccc(Br)s2)nn1,PYPBJVMUTUCAGK-UHFFFAOYSA-N
rxn:1:43719:23623,CC(c1cn(-c2ccc(Cl)c(I)c2)nn1)n1ccnc1,CTMKOBAXFYXARE-UHFFFAOYSA-N
rxn:1:44499:39292,CSCc1cn(CCC#Cc2cc(Cl)c(N)cc2Cl)nn1,KQNWAYXBVVIVIQ-UHFFFAOYSA-N
rxn:1:44507:4081,Nc1ccc(C#CCCn2cc(CN3C(=O)COc4cc(NCc5ccccc5)ccc43)nn2)c(F)c1F,RFTHMPSXOYPMDU-UHFFFAOYSA-N
rxn:1:45041:36063,CC(C)Oc1cc(F)ccc1-c1ccc(F)cc1-c1cn(CC2Cc3cccc(F)c3O2)nn1,GZDMHKUINUXUAL-UHFFFAOYSA-N
rxn:1:49433:2955,Clc1ccc2c(-c3cn(C4(CI)CNC4)nn3)c[nH]c2c1,NQLKFCSCBACGST-UHFFFAOYSA-N
rxn:1:49433:3369,Cc1cc(-c2cn(C3(CI)CNC3)nn2)cc(C)c1Cl,NMBLUFFNTQNYOI-UHFFFAOYSA-N
rxn:1:52694:37717,CSCCCCn1cc(-c2cnc3[nH]nc(C)c3c2)nn1,PBOBIPRFNIGDCO-UHFFFAOYSA-N
rxn:1:53884:11582,Nc1nnc(Cl)cc1C1C(CCn2cc(Cn3nc4c5c(cccc5c3=O)-c3ccccc3-4)nn2)C1(F)F,YAMBLWYEYKGRDW-UHFFFAOYSA-N
rxn:1:54992:8718,Cc1cc(-c2cn(CC3CC3c3csc(Br)n3)nn2)cnc1N,ISBAAQMGMODREP-UHFFFAOYSA-N
rxn:1:55948:23483,Nc1c(-c2cn(CCI)nn2)oc2ccccc12,DDTCOKZGWKIYCU-UHFFFAOYSA-N
rxn:1:55948:37110,COc1cc(C)c(-c2ccc(-c3cn(CCI)nn3)cc2)c(C)c1,AAXGCOUOPODDNI-UHFFFAOYSA-N
rxn:1:57011:31836,Cc1cc(C#N)ncc1-c1cn(CCCc2cscc2Br)nn1,STBLZHDWSRLKOK-UHFFFAOYSA-N
rxn:1:57011:39016,Brc1cscc1CCCn1cc(-c2nccc3[nH]ncc23)nn1,YPBJDUMTWRMYOH-UHFFFAOYSA-N
rxn:1:57506:20555,Nc1c(-c2cn(CCCc3ccc([N+](=O)[O-])s3)nn2)cnc(Cl)c1I,PHXKDAPEUYRQTI-UHFFFAOYSA-N
rxn:1:59395:15939,NCc1cn(-c2ccc(-c3cn(CCCCc4cccc5ccncc45)nn3)cc2)nc1C1CC1,JZOATTFIYMDOLB-UHFFFAOYSA-N
rxn:1:59847:20555,Nc1c(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)cnc(Cl)c1I,VWWPRNFJIPEBGC-MWLCHTKSSA-N
rxn:1:59915:28048,NCCC=Cc1ccc(-c2cn(Cc3sc(Br)cc3Br)nn2)cc1,IVFLZCLGZWZCOB-UHFFFAOYSA-N
rxn:1:59985:16776,Cc1c(-c2cn([C@@H]3CC[C@H]3I)nn2)cnn1C(C)C,WXPTYUKGQMMQSH-DGCLKSJQSA-N
rxn:1:59985:2836,NC1CC1c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1,ADDZFLCXJZHBMM-HNQLUHSGSA-N
rxn:1:59985:2912,NC1(c2ccc(-c3cn([C@@H]4CC[C@H]4I)nn3)cc2)CCC1,VAJFTDCYXODHMP-UKRRQHHQSA-N
rxn:1:61827:12152,NC[C@@H]1C[C@H]1c1cn(-c2ccc(I)c(Br)c2)nn1,BGUXRZUQRBTAKM-IONNQARKSA-N
rxn:1:61827:13971,CCC(CN)c1cn(-c2ccc(I)c(Br)c2)nn1,QQIJLXPLVFFNFO-UHFFFAOYSA-N
rxn:1:62688:1352,Nc1cccnc1C(=O)c1cn(-c2cc(I)cc(I)c2I)nn1,ABWNVJKPXFKYNZ-UHFFFAOYSA-N
rxn:1:62688:2666,Cc1ncncc1-c1cn(-c2cc(I)cc(I)c2I)nn1,JYASARHCIHQIJU-UHFFFAOYSA-N
rxn:1:65661:31224,Cc1nc(-c2cn(CC=Cc3ccsc3)nn2)ccc1N,VKJQJUMWBJFEBB-UHFFFAOYSA-N
rxn:3:52727:37729:87333,CCc1cccc(CNC(=O)c2c(F)cccc2C2CC2CCn2cc(-c3ccc(SC)nc3)nn2)c1,PMCLQQMKJMIFCT-UHFFFAOYSA-N
rxn:3:62888:521:108615,CC(C)(CC(=O)Nc1ccsc1Cc1ccccc1)N1CC(Cn2cc(-c3ccc(S(F)(F)(F)(F)F)cc3)nn2)CC1=O,JDDRVKBHOHYSSD-UHFFFAOYSA-N
rxn:1:41711:23101,CC1(C)CNCC1c1cn(-c2ccc(I)cc2Br)nn1,IJXIAXBSNRRJAV-UHFFFAOYSA-N
rxn:1:41805:578,Cc1cnc(-c2cn(-c3ccc(Cl)cc3Br)nn2)c(N)c1,UAIBXGJKIXIECR-UHFFFAOYSA-N
rxn:1:41904:20555,Nc1c(-c2cn(CC#Cc3ccsc3)nn2)cnc(Cl)c1I,XKNQMQKIRDZKDW-UHFFFAOYSA-N
rxn:1:41904:2989,CC(N)c1ccc(-c2cn(CC#Cc3ccsc3)nn2)cc1,BNALVXUABDZXHK-UHFFFAOYSA-N
rxn:1:41904:3001,Fc1cc(-c2cn(CC#Cc3ccsc3)nn2)c(Cl)nc1Cl,KGKCXLNDBIWHIR-UHFFFAOYSA-N
rxn:1:41923:31425,Cc1cc(N)c(-c2cn(CC#Cc3ccsc3Cl)nn2)cn1,BMJCHWAPWLMFJN-UHFFFAOYSA-N
rxn:1:43781:39742,ON=Cc1cn(CCC#Cc2ccsc2)nn1,GUAXJBQZQVGNBK-UHFFFAOYSA-N
rxn:1:43799:2912,NC1(c2ccc(-c3cn(CCC#Cc4ccsc4Cl)nn3)cc2)CCC1,PAKRYSZSWSTGKE-UHFFFAOYSA-N
rxn:1:49433:107,Cc1ccnc2sc(-c3cn(C4(CI)CNC4)nn3)c(N)c12,YPTOUPJQXOPOPO-UHFFFAOYSA-N
rxn:1:51986:30612,NNc1cccc(C2CC2CCn2cc(CN3C(=O)C(O)(CC(=O)c4ccc(F)cc4)c4ccccc43)nn2)c1,FBPMGKZPDNZNCZ-UHFFFAOYSA-N
rxn:1:52555:2511,CC1(c2cn(CCC3CC3c3cc4ccccc4o3)nn2)CCCO1,FSMHETNVKMSWIA-UHFFFAOYSA-N
rxn:1:52646:28873,NC(=O)CC1C(c2ccccc2-c2cn(CCC3CC3c3ccc4ccccc4n3)nn2)C1(F)F,WAZPJEHEDRGODH-UHFFFAOYSA-N
rxn:1:53095:31500,C[C@@H](N)c1ccc(-c2cn(CCCBr)nn2)cc1Cl,UBXWYUXIWIVOTA-SECBINFHSA-N
rxn:1:53562:32689,Oc1cncc(Cl)c1-c1cn(Cc2ccc(Br)cc2I)nn1,HNJSABOTPIAOLW-UHFFFAOYSA-N
rxn:1:54962:38682,Brc1ccc(C2CC2Cn2cc(-c3cnc4nc[nH]c4c3)nn2)s1,AJNVDWWYZBSGFX-UHFFFAOYSA-N
rxn:1:55948:31751,CC(C)(O)[C@H](N)c1ccc(-c2cn(CCI)nn2)cc1,SIVQGMRYSFGFOC-CYBMUJFWSA-N
rxn:1:56788:6553,NCC(F)CCCc1cn(CC2CC2c2cccc(S(F)(F)(F)(F)F)c2)nn1,HAAWWGLEIXTSBD-UHFFFAOYSA-N
rxn:1:57011:38364,Brc1cscc1CCCn1cc(-c2cn3ccnc3cn2)nn1,JMFYVTSHAZKOCU-UHFFFAOYSA-N
rxn:1:57012:8718,Cc1cc(-c2cn(CCCc3ccc(Cl)s3)nn2)cnc1N,OTLILXJQZVFUPC-UHFFFAOYSA-N
rxn:1:59985:23521,Cc1cnc2oc(-c3cn([C@@H]4CC[C@H]4I)nn3)c(N)c2c1,ZIHNCZRFTFVVAG-MWLCHTKSSA-N
rxn:1:59985:31225,O=Cc1cccc(-c2cn([C@@H]3CC[C@H]3I)nn2)c1O,AVNNTQFGZRHTAA-ZYHUDNBSSA-N
rxn:1:59985:31469,Cc1ncc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1N,VRPPPHKPOUGEQI-BXKDBHETSA-N
rxn:1:59985:7141,Cn1ncc2c(-c3cn([C@@H]4CC[C@H]4I)nn3)cncc21,VGLDENZCVVMSAS-ZYHUDNBSSA-N
rxn:1:61884:20555,C=C=CCCn1cc(-c2cnc(Cl)c(I)c2N)nn1,WIXSLEDRLZIATI-UHFFFAOYSA-N
rxn:1:62389:37737,CSC1CCC1n1cc(-c2c[nH]c3nc(Cl)ccc23)nn1,MQDVONDMBRJDOL-UHFFFAOYSA-N
rxn:1:62588:6238,BrCCNc1cc(-c2cn(C3CCCC3I)nn2)ncn1,GORWJJDGAMXXCD-UHFFFAOYSA-N
rxn:1:62688:11935,CC(O)C(C)Cc1cn(-c2cc(I)cc(I)c2I)nn1,FHXGDERMSOWHGO-UHFFFAOYSA-N
rxn:1:62688:2192,CCNC(C)Cc1cn(-c2cc(I)cc(I)c2I)nn1,SLABPPPYQGTTQK-UHFFFAOYSA-N
rxn:1:62688:24172,C[C@H]1CNC[C@@H]1c1cn(-c2cc(I)cc(I)c2I)nn1,OCVYUTKBURPQOJ-CBAPKCEASA-N
rxn:1:62688:28139,Nc1ncc(-c2cn(-c3cc(I)cc(I)c3I)nn2)c(N)n1,QDLGHHRJGDFWIO-UHFFFAOYSA-N
rxn:1:62688:31396,NCc1cccnc1-c1cn(-c2cc(I)cc(I)c2I)nn1,VXGDUOZMHTVDPM-UHFFFAOYSA-N
rxn:1:62688:31518,Cc1ncc(O)cc1-c1cn(-c2cc(I)cc(I)c2I)nn1,CNWYUSNFYXHYHX-UHFFFAOYSA-N
rxn:1:62688:38682,Ic1cc(I)c(I)c(-n2cc(-c3cnc4nc[nH]c4c3)nn2)c1,OTNUKDPYTAKRPQ-UHFFFAOYSA-N
rxn:1:65654:8718,Cc1cc(-c2cn(-c3cccc(C=CCS)c3)nn2)cnc1N,XNSJVEUIMVQUSL-UHFFFAOYSA-N
rxn:1:65661:31376,CNCCc1ccc(-c2cn(CC=Cc3ccsc3)nn2)c(Cl)c1,MSPFIGROTJRAQS-UHFFFAOYSA-N
rxn:1:65679:3803,Cc1cc(-c2cn(CC=Cc3ccc(Cl)s3)nn2)ccc1N,UOJWQAHQHVJFJF-UHFFFAOYSA-N
rxn:3:63289:1154:143045,COc1ccc(N2CC(Cn3cc(-c4cccc(C)c4F)nn3)CC2=O)cc1C(=O)NCC1C(c2ccc3occc3c2)C1(F)F,HAMZEFSTZYSMOV-UHFFFAOYSA-N
rxn:3:64208:38655:136721,CC(NC(=O)CC(C)(C)n1cc(-c2cccc(F)n2)nn1)C1COc2ccccc2O1,LHCAIRXSRQJLDQ-UHFFFAOYSA-N
rxn:1:41495:23539,Cc1cc(Cl)ccc1-n1cc(-c2oc3nccnc3c2N)nn1,YOVAFROEBUVZNT-UHFFFAOYSA-N
rxn:1:41711:31469,Cc1ncc(-c2cn(-c3ccc(I)cc3Br)nn2)cc1N,LOWIUUKGRMQWLM-UHFFFAOYSA-N
rxn:1:41916:37717,Cc1cc(C#CCn2cc(-c3cnc4[nH]nc(C)c4c3)nn2)cs1,ZFUHVXFDPMQHBV-UHFFFAOYSA-N
rxn:1:41923:20555,Nc1c(-c2cn(CC#Cc3ccsc3Cl)nn2)cnc(Cl)c1I,QCAIOBHPTQYLRA-UHFFFAOYSA-N
rxn:1:41923:3001,Fc1cc(-c2cn(CC#Cc3ccsc3Cl)nn2)c(Cl)nc1Cl,PJWWDNZAHGNAJN-UHFFFAOYSA-N
rxn:1:42235:20555,Nc1c(-c2cn(CC#Cc3ncc([N+](=O)[O-])s3)nn2)cnc(Cl)c1I,OJGDCZPDKZRSNB-UHFFFAOYSA-N
rxn:1:42304:20555,Nc1c(-c2cn(CC#Cc3c(Cl)cncc3Cl)nn2)cnc(Cl)c1I,GFNJTIZCBFYEDT-UHFFFAOYSA-N
rxn:1:43207:38767,O=[N+]([O-])c1ccc(F)cc1-c1cn(CC2CC3(CCCCN3)CO2)nn1,VGGFZRVKCBXQRM-UHFFFAOYSA-N
rxn:1:43719:23085,Clc1ccc(-n2cc(C34CCC3CNC4)nn2)cc1I,GBHZZGHQNNHILP-UHFFFAOYSA-N
rxn:1:43719:23101,CC1(C)CNCC1c1cn(-c2ccc(Cl)c(I)c2)nn1,QIEQYWGOZYMMPE-UHFFFAOYSA-N
rxn:1:43730:23623,CC(c1cn(-c2ccc(Br)cc2I)nn1)n1ccnc1,GGTGPRGHMFATSZ-UHFFFAOYSA-N
rxn:1:49640:14607,COc1ccc(COc2ccc(Br)cc2-c2cn(CC3C(c4ccnc(N)c4)C3(F)F)nn2)cc1,NMAJHMGBUBCVIH-UHFFFAOYSA-N
rxn:1:52304:24341,CNC1CC1c1ccc(-c2cn(CCC3CC3c3cc(Br)cc(C=O)c3)nn2)cc1,USEVXAZNDAQYBE-UHFFFAOYSA-N
rxn:1:53095:31609,CNC[C@H](C)c1ccc(-c2cn(CCCBr)nn2)cc1,ISVBFCHBNGYVAO-LBPRGKRZSA-N
rxn:1:53759:12438,Cn1cc(C(=O)Nc2ccc(-c3cn(CCC4C(c5cc(N)cc(Cl)c5)C4(F)F)nn3)cc2)c2ccccc21,RIJSGMGERXUQHX-UHFFFAOYSA-N
rxn:1:54959:8718,Cc1cc(-c2cn(CC3CC3c3ccsc3Cl)nn2)cnc1N,FTMFVSWBBMPGCD-UHFFFAOYSA-N
rxn:1:55948:14366,O=c1[nH]ccc2cc(-c3cn(CCI)nn3)ccc12,LWGGNPHUNPEUQP-UHFFFAOYSA-N
rxn:1:55948:24341,CNC1CC1c1ccc(-c2cn(CCI)nn2)cc1,XTGJCJBMSQYPER-UHFFFAOYSA-N
rxn:1:56997:1853,Nc1ncc(-c2cn(CCCc3cscn3)nn2)cc1Br,IJIXZEAJGWBEIB-UHFFFAOYSA-N
rxn:1:56998:20555,Nc1c(-c2cn(CCCc3nccs3)nn2)cnc(Cl)c1I,IWWPZUGJDNKNAS-UHFFFAOYSA-N
rxn:1:57011:31469,Cc1ncc(-c2cn(CCCc3cscc3Br)nn2)cc1N,OMOQZAMHGACQDE-UHFFFAOYSA-N
rxn:1:59830:31110,Nc1ncc(-c2cn(Cc3ccc(Br)o3)nn2)cc1Cl,VMDNPDJBMVPCKC-UHFFFAOYSA-N
rxn:1:59985:388,Cc1ncc(-c2cn([C@@H]3CC[C@H]3I)nn2)c(C)c1Cl,ANZVKGFQTKVYOD-ZYHUDNBSSA-N
rxn:1:61272:20555,Nc1c(-c2cn(C3CN(Cc4cccs4)C3)nn2)cnc(Cl)c1I,CSPGCHWSGPHMBV-UHFFFAOYSA-N
rxn:1:61317:36342,COc1c(F)cccc1-c1ccc(-c2cn(C3CN(Cc4ccccc4Cl)C3)nn2)c(F)c1,IHSHUSFKPUNXSA-UHFFFAOYSA-N
rxn:1:61827:2058,NC1(c2cn(-c3ccc(I)c(Br)c3)nn2)CCOC1,QNZRLJRTXWZHFY-UHFFFAOYSA-N
rxn:1:61827:7759,CN1CCCC1(C)c1cn(-c2ccc(I)c(Br)c2)nn1,NVEKYVFUAUDJJL-UHFFFAOYSA-N
rxn:1:62327:23539,CC(CBr)Cn1cc(-c2oc3nccnc3c2N)nn1,MPVKOXYWKFIQJN-UHFFFAOYSA-N
rxn:1:62588:2912,NC1(c2ccc(-c3cn(C4CCCC4I)nn3)cc2)CCC1,KIMUFLIKGYPZFW-UHFFFAOYSA-N
rxn:1:62588:7779,COc1ccc2c(-c3cn(C4CCCC4I)nn3)c[nH]c2c1,JCDGSTNIDBATNI-UHFFFAOYSA-N
rxn:1:62688:23623,CC(c1cn(-c2cc(I)cc(I)c2I)nn1)n1ccnc1,MODPRNYOHTWCAP-UHFFFAOYSA-N
rxn:1:62688:30483,CCn1cc(-c2cn(-c3cc(I)cc(I)c3I)nn2)c(C)n1,ADBQFWXZLAXFJQ-UHFFFAOYSA-N
rxn:1:62688:31232,N[C@@H]1CCC[C@H](c2cn(-c3cc(I)cc(I)c3I)nn2)C1,BPANQTYASZAYLE-WCBMZHEXSA-N
rxn:1:62688:31723,COC1CC(N)(c2cn(-c3cc(I)cc(I)c3I)nn2)C1,QRBAYGNXZAYMEH-UHFFFAOYSA-N
rxn:1:62688:31854,CO[C@@H](C)[C@H](N)c1cn(-c2cc(I)cc(I)c2I)nn1,QSQPQEFPSDNTMI-QTTZVWFDSA-N
rxn:1:62720:33476,CC(NC(=O)CN1C(=O)COc2ccccc21)c1cn(CC2CC(=O)N(C(C)c3nccs3)C2)nn1,KOPXGTLTBGVMCQ-UHFFFAOYSA-N
rxn:1:63670:1730,Brc1ccc(Cn2cc(-c3ccc(C4CCCN4)cc3)nn2)s1,HLBCBYSGPAYGQA-UHFFFAOYSA-N
rxn:1:63757:1848,CN(C)Cc1ccc(-c2cn(Cc3ccc(Cl)s3)nn2)cc1,FXLNJIJBSXVXCG-UHFFFAOYSA-N
rxn:1:65328:31372,CNCCc1ccc(-c2cn(CCBr)nn2)cc1Cl,HAHVBCCGFGURLZ-UHFFFAOYSA-N
rxn:1:41711:31518,Cc1ncc(O)cc1-c1cn(-c2ccc(I)cc2Br)nn1,PLLILTYVTBYQEH-UHFFFAOYSA-N
rxn:1:41718:31836,Cc1cc(C#N)ncc1-c1cn(-c2cc(Br)ccc2I)nn1,DWCLRCYWQITROE-UHFFFAOYSA-N
rxn:1:41904:17740,CC1C(=O)Nc2ccc(-c3cn(CC#Cc4ccsc4)nn3)cc21,ZPMZKBNBKOLXHD-UHFFFAOYSA-N
rxn:1:41921:31498,COc1cc(-c2cn(CC#Cc3cscc3C)nn2)cnc1Cl,WIWRXMXNKAMYGC-UHFFFAOYSA-N
rxn:1:41923:31376,CNCCc1ccc(-c2cn(CC#Cc3ccsc3Cl)nn2)c(Cl)c1,DEOYGOHSPWBKLT-UHFFFAOYSA-N
rxn:1:41923:38287,Clc1sccc1C#CCn1cc(-c2nccn3cncc23)nn1,FRJVWEALMVBIQY-UHFFFAOYSA-N
rxn:1:42737:8718,Cc1cc(-c2cn(CC#Cc3ccc4sccc4c3)nn2)cnc1N,ZPALSPGSZWFCED-UHFFFAOYSA-N
rxn:1:43684:39292,CSCc1cn(CC#Cc2cc(Cl)nc(Cl)c2)nn1,URZCLJRIUOPGHP-UHFFFAOYSA-N
rxn:1:49433:38943,Cc1ccc(-c2cn(C3(CI)CNC3)nn2)cc1C,XORIOICSHXIKMP-UHFFFAOYSA-N
rxn:1:49433:7372,Cc1cc(Cl)ccc1OCc1cn(C2(CI)CNC2)nn1,LZVSGEVJKRDERA-UHFFFAOYSA-N
rxn:1:49570:33524,CSCC(=O)Nc1ccc(C)c(-c2cn(CC3C(c4cccn4C)C3(F)F)nn2)c1,XIERDZIQVMUHBW-UHFFFAOYSA-N
rxn:1:50865:31966,COc1c(-c2cn(CC3C(c4c(Cl)cccc4[N+](=O)[O-])C3(F)F)nn2)cccc1[N+](=O)[O-],OIKCFHGAJOLHRF-UHFFFAOYSA-N
rxn:1:53095:31935,NCc1cc(-c2cn(CCCBr)nn2)ccc1Cl,SDUFJWZAOSGRJY-UHFFFAOYSA-N
rxn:1:54853:39552,Oc1ccc(-c2ccc(C3C(CCn4cc(CNC5CCNCC5)nn4)C3(F)F)cc2)cc1,MHWKNMSNKGJROP-UHFFFAOYSA-N
rxn:1:55948:12649,Cc1cc(Br)ccc1NC(=O)c1ccc(-c2cn(CCI)nn2)cc1,NBPDMQLFOKCUND-UHFFFAOYSA-N
rxn:1:55948:13689,Cc1cc(I)ccc1NC(=O)c1ccc(-c2cn(CCI)nn2)cc1,QQTUUFONUVXWMB-UHFFFAOYSA-N
rxn:1:55948:1972,Cc1ccc2c(-c3cn(CCI)nn3)n[nH]c2c1,PKGYKBMURKWPLZ-UHFFFAOYSA-N
rxn:1:55948:2242,O=Cc1cc(Cl)ccc1OCc1cn(CCI)nn1,MRYFMTSNPGAYSU-UHFFFAOYSA-N
rxn:1:55948:7351,Cc1cc(Br)ccc1OCc1cn(CCI)nn1,XGDQKXSDVRHNSY-UHFFFAOYSA-N
rxn:1:56945:2939,COc1cccc(Cl)c1-c1cn(CC2CC2c2ccc3c(c2)C(C)(C)c2ccccc2-3)nn1,PDGMABJBZMTJNV-UHFFFAOYSA-N
rxn:1:57011:31915,Nc1ncnc2[nH]nc(-c3cn(CCCc4cscc4Br)nn3)c12,IEAHNUSIZTVFNP-UHFFFAOYSA-N
rxn:1:57011:39021,Brc1cscc1CCCn1cc(-c2cnc3[nH]ncc3c2)nn1,JKLQRVYVRPGYND-UHFFFAOYSA-N
rxn:1:57013:8718,Cc1cc(-c2cn(CCCc3ccc(Br)s3)nn2)cnc1N,HIECYNFZDTZENQ-UHFFFAOYSA-N
rxn:1:57068:20555,Nc1c(-c2cn(CCCc3csc(C=O)c3)nn2)cnc(Cl)c1I,HZXVYGLBKBYYQD-UHFFFAOYSA-N
rxn:1:59817:2836,NC1CC1c1ccc(-c2cn(-c3ccc(SC(F)F)cc3)nn2)cc1,YMWKDJXVHWMMBS-UHFFFAOYSA-N
rxn:1:59915:32501,CNCCc1ccc(-c2cn(Cc3sc(Br)cc3Br)nn2)nc1,OJLDEIQMBNCJIO-UHFFFAOYSA-N
rxn:1:61827:2054,C[C@@]1(c2cn(-c3ccc(I)c(Br)c3)nn2)CCCN1,BRMDJVZVAPYNRW-ZDUSSCGKSA-N
rxn:1:61827:2093,CN1CCCC1c1cn(-c2ccc(I)c(Br)c2)nn1,DSTOSWUGHXAHRY-UHFFFAOYSA-N
rxn:1:62588:16783,Cc1c(-c2cn(C3CCCC3I)nn2)cnn1CC(F)F,PGJFMMOIMPFHHN-UHFFFAOYSA-N
rxn:1:62688:1825,Cc1cc(N)ncc1-c1cn(-c2cc(I)cc(I)c2I)nn1,DRTIAEGEGPYECY-UHFFFAOYSA-N
rxn:1:62688:31180,NCc1ccncc1-c1cn(-c2cc(I)cc(I)c2I)nn1,GMLVAHKFNCQOAE-UHFFFAOYSA-N
rxn:1:62688:38433,NC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CCCC1,RWJDMHIYDQZJIE-UHFFFAOYSA-N
rxn:1:63670:2912,NC1(c2ccc(-c3cn(Cc4ccc(Br)s4)nn3)cc2)CCC1,FNJTZVIHQMGMFX-UHFFFAOYSA-N
rxn:1:64186:36200,Cc1nc2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(Cc5ccnc6[nH]ccc56)C4)nn3)cc2o1,UXKRWZVZBNMEEJ-UHFFFAOYSA-N
rxn:1:65661:31195,C(=Cc1ccsc1)Cn1cc(-c2ccc3c(c2)CNC3)nn1,KPCKCKBXYYHNTP-UHFFFAOYSA-N
rxn:3:64315:12155:71955,Cc1cccc2ccc(CNC(=O)c3cc(F)c(F)cc3N3CC(Cn4cc(C5CC(N(C)C)C5)nn4)CC3=O)cc12,IXOYDRFHBKRVBC-UHFFFAOYSA-N
rxn:1:41458:11724,NC[C@H]1CC[C@H](c2cn(-c3ccc(F)cc3Br)nn2)CC1,IVIMMZPKUPQVLL-XYPYZODXSA-N
rxn:1:41711:32146,Brc1cc(I)ccc1-n1cc(C[C@@H]2CCCNC2)nn1,NQODNXPUKIDMNX-JTQLQIEISA-N
rxn:1:41904:38744,Fc1cnc(Cl)cc1-c1cn(CC#Cc2ccsc2)nn1,FUMTUPAGHXZZAC-UHFFFAOYSA-N
rxn:1:41904:3947,Cc1nc(Cl)nc(N)c1-c1cn(CC#Cc2ccsc2)nn1,JWPAFDIEQAUBJC-UHFFFAOYSA-N
rxn:1:41918:578,Cc1cnc(-c2cn(-c3ccc(Cl)cc3I)nn2)c(N)c1,APBLOGHRCKJHIU-UHFFFAOYSA-N
rxn:1:41921:23471,Cc1cscc1C#CCn1cc(-c2c(N)ncnc2Cl)nn1,MRADFPUIWNNLIW-UHFFFAOYSA-N
rxn:1:41921:31821,Cc1cscc1C#CCn1cc(-c2cnc(C#N)c(Cl)c2)nn1,QAQMNYDMNCLKNH-UHFFFAOYSA-N
rxn:1:41921:39021,Cc1cscc1C#CCn1cc(-c2cnc3[nH]ncc3c2)nn1,VKJUILJVPVJLSQ-UHFFFAOYSA-N
rxn:1:43800:37717,Cc1n[nH]c2ncc(-c3cn(CCC#Cc4ccc(Cl)s4)nn3)cc12,PRIKFYWTTTYQTC-UHFFFAOYSA-N
rxn:1:46134:36120,Cn1c(=O)oc2cc(-c3cccc(-c4cn(CCC=Cc5nc6ccccc6s5)nn4)c3F)ccc21,XWMQSFIKKUAQAD-UHFFFAOYSA-N
rxn:1:48903:23068,Cc1ccncc1-n1cc(C2CNC3(CCC3)CO2)nn1,GHAHCVAQSJYIOC-UHFFFAOYSA-N
rxn:1:50499:7964,Cc1cc(C)n(CCN(C)C(=O)c2cn(CC3C(c4ccc5occc5c4)C3(F)F)nn2)n1,KSNCXKPJCKGPDG-UHFFFAOYSA-N
rxn:1:52694:20555,CSCCCCn1cc(-c2cnc(Cl)c(I)c2N)nn1,NHYCMGCMQSWBAM-UHFFFAOYSA-N
rxn:1:52906:37717,Cc1ccsc1Cn1cc(-c2cnc3[nH]nc(C)c3c2)nn1,IPJQTEBVQNJSAM-UHFFFAOYSA-N
rxn:1:53066:2584,O=C1CCOc2cc(C3CC3CCn3cc(-c4cccc(C5CC5C(=O)O)c4)nn3)ccc21,HRHQZWOGUUMRHU-UHFFFAOYSA-N
rxn:1:53562:31957,Nc1cc(F)ncc1-c1cn(Cc2ccc(Br)cc2I)nn1,GOLGQSVUFVNCIA-UHFFFAOYSA-N
rxn:1:55904:31376,CNCCc1ccc(-c2cn(-c3ncc(Br)s3)nn2)c(Cl)c1,UTJOZDUIECKHOQ-UHFFFAOYSA-N
rxn:1:55948:13236,Cc1cc(F)ccc1C(=O)Nc1ccc(-c2cn(CCI)nn2)cc1,PYFDALOASRLISC-UHFFFAOYSA-N
rxn:1:55948:2955,Clc1ccc2c(-c3cn(CCI)nn3)c[nH]c2c1,MHJMNYSFRHXLJE-UHFFFAOYSA-N
rxn:1:55948:31750,CC(C)(O)[C@@H](N)c1ccc(-c2cn(CCI)nn2)cc1,SIVQGMRYSFGFOC-ZDUSSCGKSA-N
rxn:1:57011:32044,Cc1cc(-c2cn(CCCc3cscc3Br)nn2)ccc1CN,LDXPZHANVRLFPW-UHFFFAOYSA-N
rxn:1:59847:8718,Cc1cc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)cnc1N,GXEUFZLOTHBENG-TZMCWYRMSA-N
rxn:1:59985:24341,CNC1CC1c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1,GUGOZLWNNIUNMZ-YWIABWOTSA-N
rxn:1:60641:8718,Cc1cc(-c2cn(Cc3ccc(N=C=S)cc3)nn2)cnc1N,QBQQUODKVJIQGF-UHFFFAOYSA-N
rxn:1:61827:10890,Nc1cc(Br)cnc1OCc1cn(-c2ccc(I)c(Br)c2)nn1,RBWQHDDBSHBJRS-UHFFFAOYSA-N
rxn:1:61827:2009,NCC(=O)OCc1cn(-c2ccc(I)c(Br)c2)nn1,ONLUTHABGHAWIU-UHFFFAOYSA-N
rxn:1:61827:24172,C[C@H]1CNC[C@@H]1c1cn(-c2ccc(I)c(Br)c2)nn1,JVRSJCQGTCMQMI-WPRPVWTQSA-N
rxn:1:61827:3659,CC1(c2cn(-c3ccc(I)c(Br)c3)nn2)CCNC1,DWUKXABVTYGOBB-UHFFFAOYSA-N
rxn:1:62327:31372,CNCCc1ccc(-c2cn(CC(C)CBr)nn2)cc1Cl,XCIJMCIQBRXPNU-UHFFFAOYSA-N
rxn:1:62588:2131,NC(C(=O)Cc1cn(C2CCCC2I)nn1)C1CC1,ILNWDTOKUBKUHV-UHFFFAOYSA-N
rxn:1:62588:38286,CSc1nc(-c2cn(C3CCCC3I)nn2)c(C)c(C(F)F)n1,OJFWWNCTYDJGFP-UHFFFAOYSA-N
rxn:1:62688:34570,N[C@@H](CO)c1cn(-c2cc(I)cc(I)c2I)nn1,YQADUIPBXKICKV-ZETCQYMHSA-N
rxn:1:62688:3729,COC(C)C(N)c1cn(-c2cc(I)cc(I)c2I)nn1,QSQPQEFPSDNTMI-UHFFFAOYSA-N
rxn:1:62688:572,OC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CNC1,DTMXGQAJHHMNEE-UHFFFAOYSA-N
rxn:1:63670:1848,CN(C)Cc1ccc(-c2cn(Cc3ccc(Br)s3)nn2)cc1,NHIQUQWQVDFENW-UHFFFAOYSA-N
rxn:1:65097:525,O=C1CC(Cn2cc(-c3c(F)ccc(Br)c3Cl)nn2)CN1c1cc(-c2cccc(F)c2)n[nH]1,ULCMDXNEZIEZPA-UHFFFAOYSA-N
rxn:1:65328:2912,NC1(c2ccc(-c3cn(CCBr)nn3)cc2)CCC1,DPRYFAPVWRDUMP-UHFFFAOYSA-N
rxn:1:65661:31438,N#Cc1cnc(N)c(-c2cn(CC=Cc3ccsc3)nn2)c1,COPZJJFQQDYVAR-UHFFFAOYSA-N
rxn:1:65661:37843,Cn1ncc2cc(-c3cn(CC=Cc4ccsc4)nn3)cnc21,BBYSLQFYPKDBIF-UHFFFAOYSA-N
rxn:3:55610:39438:106903,Cc1cccc2c1OCCCC2NC(=O)c1ccccc1C1CC1Cn1cc(-c2ccc(F)cn2)nn1,UDOXNEBYGBKPRZ-UHFFFAOYSA-N
rxn:1:41613:1825,Cc1cc(N)ncc1-c1cn(-c2cc(Br)ccc2Br)nn1,HUNXDYWBIAQHDB-UHFFFAOYSA-N
rxn:1:41904:31333,Cc1cc(N)cnc1-c1cn(CC#Cc2ccsc2)nn1,MEKFZFAPGPERML-UHFFFAOYSA-N
rxn:1:41921:23538,Cc1cscc1C#CCn1cc(-c2oc3c(I)cncc3c2N)nn1,DEUOYWSOVBLOEQ-UHFFFAOYSA-N
rxn:1:41921:32044,Cc1cscc1C#CCn1cc(-c2ccc(CN)c(C)c2)nn1,LRAZZRDSLZOUOS-UHFFFAOYSA-N
rxn:1:41921:37759,Cc1cscc1C#CCn1cc(-c2cc(Cl)ncc2O)nn1,YQPLSLNJTRDTOY-UHFFFAOYSA-N
rxn:1:41921:37851,Cc1cscc1C#CCn1cc(-c2ccc(Cl)cc2CN)nn1,KRHRMROZEDTEKD-UHFFFAOYSA-N
rxn:1:41921:39104,Cc1cscc1C#CCn1cc(-c2cnc(N)nc2Cl)nn1,LQDFQHFDZRCXJA-UHFFFAOYSA-N
rxn:1:41923:524,Fc1c(-c2cn(CC#Cc3ccsc3Cl)nn2)ccnc1Cl,BQBYLSRRJWVHCT-UHFFFAOYSA-N
rxn:1:42018:2051,Cc1ccc(I)cc1-n1cc(-c2ccc([C@H](C)N)cc2)nn1,QZZBCXSMOYXQDA-LBPRGKRZSA-N
rxn:1:42796:2756,Cc1cc(Br)c(-c2cn(CC#Cc3n[nH]c4ncnc(Cl)c34)nn2)s1,XADNVQHPMUOZOM-UHFFFAOYSA-N
rxn:1:43719:23839,Clc1ccc(-n2cc(C3NCC4CCC43)nn2)cc1I,QQVZNIWVIUQUNY-UHFFFAOYSA-N
rxn:1:43730:2140,NC1(C(=O)c2cn(-c3ccc(Br)cc3I)nn2)CC1,XFHWSMQEMQWIRW-UHFFFAOYSA-N
rxn:1:43799:39021,Clc1sccc1C#CCCn1cc(-c2cnc3[nH]ncc3c2)nn1,FCVXIYWCDWATRG-UHFFFAOYSA-N
rxn:1:45334:38682,C(=Cc1ccsc1)CCn1cc(-c2cnc3nc[nH]c3c2)nn1,JUNAWNKUHRFGAV-UHFFFAOYSA-N
rxn:1:49433:7771,Brc1cccc2c(-c3cn(C4(CI)CNC4)nn3)c[nH]c12,JAUXESMKOUANRT-UHFFFAOYSA-N
rxn:1:49433:966,Cc1cc(OCc2cn(C3(CI)CNC3)nn2)ccc1I,OKTTWIMQHFOHAB-UHFFFAOYSA-N
rxn:1:50760:12782,O=C(Nc1ccon1)c1cccc(-c2cn(CC3C(c4cccc(OC(F)F)c4)C3(F)F)nn2)c1,GCWGDOFTOMBYLU-UHFFFAOYSA-N
rxn:1:50898:4409,Cc1ccc([N+](=O)[O-])c(C2C(Cn3cc(-c4cccc(NC(C)c5scnc5C)c4)nn3)C2(F)F)c1,CDWBXWIJNHLXMW-UHFFFAOYSA-N
rxn:1:53095:27954,NCC=Cc1ccc(-c2cn(CCCBr)nn2)cc1,NLPBCHSCDZPMLW-UHFFFAOYSA-N
rxn:1:54960:38682,Brc1cscc1C1CC1Cn1cc(-c2cnc3nc[nH]c3c2)nn1,UHEQXIFXAPOZNM-UHFFFAOYSA-N
rxn:1:55039:20555,Nc1c(-c2cn(CC3CC3c3ncc(Br)cn3)nn2)cnc(Cl)c1I,BZMUEGQICKLUJZ-UHFFFAOYSA-N
rxn:1:55039:8718,Cc1cc(-c2cn(CC3CC3c3ncc(Br)cn3)nn2)cnc1N,AEKPFOLTAPARAN-UHFFFAOYSA-N
rxn:1:55948:14357,Cc1c[nH]c2cc(-c3cn(CCI)nn3)ccc12,KOJQRBXOLSZHPW-UHFFFAOYSA-N
rxn:1:55948:18192,Nc1c(C2CCC2)cnn1-c1ccc(-c2cn(CCI)nn2)cc1,GTZZJXDOKMKCPX-UHFFFAOYSA-N
rxn:1:55948:31372,CNCCc1ccc(-c2cn(CCI)nn2)cc1Cl,VXZWDNUHSYTWGG-UHFFFAOYSA-N
rxn:1:55948:35845,Cc1cc2[nH]ncc2cc1-c1cncc(-c2cn(CCI)nn2)c1,ZGMVIXXNMDUDEE-UHFFFAOYSA-N
rxn:1:55948:412,Cc1cc(C)c(-c2cn(CCI)nn2)cn1,HXOLBVBWHKTBPN-UHFFFAOYSA-N
rxn:1:57011:38802,Nc1ccc(-c2cn(CCCc3cscc3Br)nn2)nc1,HTRCXXGUAUWPBF-UHFFFAOYSA-N
rxn:1:58724:24114,O=C1CNC(=S)N1c1cccc(-c2cn(CCCCc3ccccc3F)nn2)c1,LPCDTCBCYRGPFN-UHFFFAOYSA-N
rxn:1:59915:1730,Brc1cc(Br)c(Cn2cc(-c3ccc(C4CCCN4)cc3)nn2)s1,ZYZVJIFBDBTQAN-UHFFFAOYSA-N
rxn:1:59985:1920,CSc1ncnc2c(-c3cn([C@@H]4CC[C@H]4I)nn3)csc12,VGPALDWAMBAIBK-PSASIEDQSA-N
rxn:1:59985:31609,CNC[C@H](C)c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1,PONKZEVKEBABHT-SGIREYDYSA-N
rxn:1:61827:28514,CNC1(c2cn(-c3ccc(I)c(Br)c3)nn2)CCCC1,VURODWXRUSVXCX-UHFFFAOYSA-N
rxn:1:61827:7723,Brc1cc(-n2cc([C@@H]3CCCNC3)nn2)ccc1I,WXLPIZLVLARDNA-SECBINFHSA-N
rxn:1:62588:1176,COc1c(-c2cn(C3CCCC3I)nn2)c(C)nn1C,ZFFIEOYSSBBNER-UHFFFAOYSA-N
rxn:1:62688:31930,Cc1cncc(-c2cn(-c3cc(I)cc(I)c3I)nn2)c1N,RLUFKBQEBBWPMV-UHFFFAOYSA-N
rxn:1:63670:14361,Cc1c(-c2cn(Cc3ccc(Br)s3)nn2)cnc2cccnc12,QPZUFPZQDVVQNW-UHFFFAOYSA-N
rxn:1:63757:395,Cc1c(-c2cn(Cc3ccc(Cl)s3)nn2)ccc2nccn12,JSVDWHPQAXXVKW-UHFFFAOYSA-N
rxn:1:65063:3426,C[C@H](NCc1cn(CC2CC(=O)N(c3cccc4c(Br)cccc34)C2)nn1)c1ccc(F)cc1,OCJODDAMHQKJJB-ZENAZSQFSA-N
rxn:3:41107:3020:73995,COc1cc(C=CCn2cc(C3(c4cccc(C(F)(F)F)c4)CC3)nn2)ccc1C(=O)NCC1SCCS1,KFYQQCWJTPCVNH-UHFFFAOYSA-N
rxn:1:41711:23844,NC12C3C4C1C1C2C3C41c1cn(-c2ccc(I)cc2Br)nn1,NIRIYEWGESGJQU-UHFFFAOYSA-N
rxn:1:41711:28528,CC(CC1CNC1)c1cn(-c2ccc(I)cc2Br)nn1,FOTXGJDCNSOZHQ-UHFFFAOYSA-N
rxn:1:41711:7096,N[C@H]1CC[C@@H](c2cn(-c3ccc(I)cc3Br)nn2)C1,LCVSCQALRRSOGX-SCZZXKLOSA-N
rxn:1:41718:23723,Brc1ccc(I)c(-n2cc(C3C4CNCC43)nn2)c1,CWLJUQQOEBRJBA-UHFFFAOYSA-N
rxn:1:41904:31500,C[C@@H](N)c1ccc(-c2cn(CC#Cc3ccsc3)nn2)cc1Cl,OEXKEXUTPBYMTD-GFCCVEGCSA-N
rxn:1:41904:3313,N#Cc1cc(-c2cn(CC#Cc3ccsc3)nn2)c(N)cc1F,BQAYXQVKYWJPRN-UHFFFAOYSA-N
rxn:1:41923:2652,Fc1ncc(Br)cc1-c1cn(CC#Cc2ccsc2Cl)nn1,ORVITKZTZHZLBX-UHFFFAOYSA-N
rxn:1:41923:28519,COc1ncc(-c2cn(CC#Cc3ccsc3Cl)nn2)cc1C#N,URASMLCNXQJPFA-UHFFFAOYSA-N
rxn:1:41923:31358,Clc1ncc(-c2cn(CC#Cc3ccsc3Cl)nn2)cc1Br,RMDGLQVVZJSBET-UHFFFAOYSA-N
rxn:1:41973:38814,Nc1c(Br)cncc1-c1cn(CC#Cc2cncnc2Cl)nn1,RJGJFHZBXCVWKP-UHFFFAOYSA-N
rxn:1:43680:31454,Nc1nc(Cl)ncc1-c1cn(CC#Cc2cc(Br)cnc2Cl)nn1,KLNANPXQYRBQQL-UHFFFAOYSA-N
rxn:1:43781:38682,C(#Cc1ccsc1)CCn1cc(-c2cnc3nc[nH]c3c2)nn1,PTLGWRMCWKKRQU-UHFFFAOYSA-N
rxn:1:44792:19280,Nc1cc(C#CCCn2cc(-c3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3)nn2)ccc1[N+](=O)[O-],IZIDPMBNMFMPSG-UHFFFAOYSA-N
rxn:1:45353:8718,Cc1cc(-c2cn(CCC=Cc3ccsc3Cl)nn2)cnc1N,PFYVWKXCGUGIQA-UHFFFAOYSA-N
rxn:1:47710:1826,CCc1cc(N)ncc1-c1cn(-c2nccc3c(I)c[nH]c23)nn1,SRYKOMNDVVGVME-UHFFFAOYSA-N
rxn:1:50727:15317,CC(=O)c1cc(C2C(Cn3cc(-c4ccc(-n5nccc5Cl)cc4)nn3)C2(F)F)ccc1F,SDKUSPXSFVWOPB-UHFFFAOYSA-N
rxn:1:53479:10840,N#Cc1ccc(C2C(CCn3cc(-c4cccc(NC(=O)c5cccnc5)c4)nn3)C2(F)F)s1,SJPINTOAWFOQAD-UHFFFAOYSA-N
rxn:1:55948:31500,C[C@@H](N)c1ccc(-c2cn(CCI)nn2)cc1Cl,QFKXQTFEOGZWBR-MRVPVSSYSA-N
rxn:1:55948:31641,CC(C)(CN)c1ccc(-c2cn(CCI)nn2)cc1,CDIXNHQGUXKBAY-UHFFFAOYSA-N
rxn:1:59879:23539,Cc1cc(Cl)cc(Br)c1-n1cc(-c2oc3nccnc3c2N)nn1,VTCHLAPTFRVGKE-UHFFFAOYSA-N
rxn:1:59985:38492,CC(C)Oc1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cn1,GEFNQGAWGQARLF-DGCLKSJQSA-N
rxn:1:61088:14607,COc1ccc(COc2ccc(Br)cc2-c2cn(CC(=O)N3C4COCC3C4)nn2)cc1,WVEKIUYSXIJFIJ-UHFFFAOYSA-N
rxn:1:61827:2196,CN1CCCCC1c1cn(-c2ccc(I)c(Br)c2)nn1,UOEYYBXYAZLNPL-UHFFFAOYSA-N
rxn:1:61827:28663,CC(C)(CCN)c1cn(-c2ccc(I)c(Br)c2)nn1,FVTCXKZJZIUKCZ-UHFFFAOYSA-N
rxn:1:61827:31232,N[C@@H]1CCC[C@H](c2cn(-c3ccc(I)c(Br)c3)nn2)C1,RNGCMWIRRFEYJS-VHSXEESVSA-N
rxn:1:61827:31333,Cc1cc(N)cnc1-c1cn(-c2ccc(I)c(Br)c2)nn1,LPNZFPZMVWNXIP-UHFFFAOYSA-N
rxn:1:61827:3210,O=C(CNC1CC1)c1cn(-c2ccc(I)c(Br)c2)nn1,ROGNLJIBBHMWJK-UHFFFAOYSA-N
rxn:1:61827:34570,N[C@@H](CO)c1cn(-c2ccc(I)c(Br)c2)nn1,STVUKHZNKATCGR-VIFPVBQESA-N
rxn:1:61827:3870,CC1(c2cn(-c3ccc(I)c(Br)c3)nn2)CCCNC1,YUMHJFPIZWZMLP-UHFFFAOYSA-N
rxn:1:62688:12269,O=Cc1cncc(-c2cn(-c3cc(I)cc(I)c3I)nn2)c1,CALIWHWRDIERRM-UHFFFAOYSA-N
rxn:1:62688:3295,CCn1cnc(-c2cn(-c3cc(I)cc(I)c3I)nn2)c1,LGIWHQXCFPJKLM-UHFFFAOYSA-N
rxn:1:62688:34531,NC(CO)c1cn(-c2cc(I)cc(I)c2I)nn1,YQADUIPBXKICKV-UHFFFAOYSA-N
rxn:1:62688:3699,Cc1c(N)cncc1-c1cn(-c2cc(I)cc(I)c2I)nn1,DNQITFVCMLBOAD-UHFFFAOYSA-N
rxn:1:62688:39389,Ic1cc(I)c(I)c(-n2cc(Cn3cncn3)nn2)c1,KFFHJGSQVJYXHW-UHFFFAOYSA-N
rxn:1:65328:31376,CNCCc1ccc(-c2cn(CCBr)nn2)c(Cl)c1,CDWVHJPRCJMSKB-UHFFFAOYSA-N
rxn:1:65678:23539,Nc1c(-c2cn(CC=Cc3ccsc3Cl)nn2)oc2nccnc12,IPXYVEHOKNGEIK-UHFFFAOYSA-N
rxn:1:65678:31168,Cc1cnc(-c2cn(CC=Cc3ccsc3Cl)nn2)cc1N,AHZAXNCESVZNBL-UHFFFAOYSA-N
rxn:3:65247:37873:89921,CCc1oc(-c2ccccc2)cc1CNC(=O)c1ccc2cc(N3CC(Cn4cc(-c5ccccc5-c5cccnc5)nn4)CC3=O)ccc2c1,CCWHWXKCVKKANZ-UHFFFAOYSA-N
rxn:1:41487:23539,Cc1ccc(-n2cc(-c3oc4nccnc4c3N)nn2)c(Br)c1,YUMNLFHTLOMEMV-UHFFFAOYSA-N
rxn:1:41711:23723,Brc1cc(I)ccc1-n1cc(C2C3CNCC32)nn1,JCXKUJDHFDKPLT-UHFFFAOYSA-N
rxn:1:41711:383,COc1cn(C)nc1-c1cn(-c2ccc(I)cc2Br)nn1,IZKMJLYCNVWVLS-UHFFFAOYSA-N
rxn:1:41718:11720,CC(C)(CN)Cc1cn(-c2cc(Br)ccc2I)nn1,NHJCQSDEAVSJGX-UHFFFAOYSA-N
rxn:1:41904:38955,Nc1n[nH]c2ccc(-c3cn(CC#Cc4ccsc4)nn3)cc12,HSQBKQKVXLDLRP-UHFFFAOYSA-N
rxn:1:41917:1881,Cc1sccc1C#CCn1cc(-c2cnc3scnc3c2)nn1,HTEIRZQCXUWFST-UHFFFAOYSA-N
rxn:1:41918:2140,NC1(C(=O)c2cn(-c3ccc(Cl)cc3I)nn2)CC1,ZGRLCRCRFALYGY-UHFFFAOYSA-N
rxn:1:41921:31463,Cc1cscc1C#CCn1cc(-c2cnc(Cl)c(F)c2)nn1,PLDUDGSRGPQAMN-UHFFFAOYSA-N
rxn:1:41923:31431,Oc1ccc2ncc(-c3cn(CC#Cc4ccsc4Cl)nn3)cc2c1,QMJQGMYEKDAJME-UHFFFAOYSA-N
rxn:1:41973:2983,Clc1ncncc1C#CCn1cc(Cc2ccc(Br)s2)nn1,LLKFTHTVEUGRJJ-UHFFFAOYSA-N
rxn:1:42029:2054,Cc1ccc(-n2cc([C@]3(C)CCCN3)nn2)cc1I,CWZFNPXXPUUXBA-AWEZNQCLSA-N
rxn:1:42029:7755,Cc1ccc(-n2cc(C3(C)CCCN3)nn2)cc1I,CWZFNPXXPUUXBA-UHFFFAOYSA-N
rxn:1:43678:39292,CSCc1cn(CC#Cc2ccnc(Cl)c2Cl)nn1,GBZPFBCGFTYHHC-UHFFFAOYSA-N
rxn:1:43756:11848,NC1CCC(c2cn(-c3ccc(I)cc3F)nn2)CC1,ZTQCCIBUNTWKHQ-UHFFFAOYSA-N
rxn:1:43756:1825,Cc1cc(N)ncc1-c1cn(-c2ccc(I)cc2F)nn1,XJGCNSVMFHLNJC-UHFFFAOYSA-N
rxn:1:43756:2836,NC1CC1c1ccc(-c2cn(-c3ccc(I)cc3F)nn2)cc1,JRNPZLDTUWBFBL-UHFFFAOYSA-N
rxn:1:43800:39742,ON=Cc1cn(CCC#Cc2ccc(Cl)s2)nn1,HKYXTKPJWWAULN-UHFFFAOYSA-N
rxn:1:45334:39018,C(=Cc1ccsc1)CCn1cc(-c2cc3cn[nH]c3cn2)nn1,PGPWJXCGGCSROS-UHFFFAOYSA-N
rxn:1:45334:39021,C(=Cc1ccsc1)CCn1cc(-c2cnc3[nH]ncc3c2)nn1,OVKYOGQIKNXSBK-UHFFFAOYSA-N
rxn:1:49585:31500,CSCCn1cc(-c2ccc([C@@H](C)N)c(Cl)c2)nn1,BVLMBAQCWMSGTK-SECBINFHSA-N
rxn:1:50569:33764,Cc1ccc(NC(=O)c2cncc(F)c2)cc1-c1cn(CC2C(c3cc4cn[nH]c4cc3C)C2(F)F)nn1,UQTAZESQGGVZTR-UHFFFAOYSA-N
rxn:1:51869:13938,COc1c(F)cc(-c2cn(CCC3CC3c3cc(Br)cc(Br)c3)nn2)cc1F,UFSUKQKXROQWNL-UHFFFAOYSA-N
rxn:1:55784:14414,N#Cc1cc(C2CC2Cn2cc(-c3ccc(Br)cc3OC3CCOCC3)nn2)ccc1Cl,CSYKRKSHNQUMMS-UHFFFAOYSA-N
rxn:1:55948:1730,ICCn1cc(-c2ccc(C3CCCN3)cc2)nn1,WZSAASVBCKXPBD-UHFFFAOYSA-N
rxn:1:55948:27954,NCC=Cc1ccc(-c2cn(CCI)nn2)cc1,BFUWWKXYVAPFTI-UHFFFAOYSA-N
rxn:1:57013:31454,Nc1nc(Cl)ncc1-c1cn(CCCc2ccc(Br)s2)nn1,NXZBARLYCDDWII-UHFFFAOYSA-N
rxn:1:59830:1730,Brc1ccc(Cn2cc(-c3ccc(C4CCCN4)cc3)nn2)o1,CKKYQYKSCRVOEK-UHFFFAOYSA-N
rxn:1:61780:31836,Cc1cc(C#N)ncc1-c1cn(-c2ccc(F)c(F)c2Br)nn1,WKTOHVOTURXDLP-UHFFFAOYSA-N
rxn:1:61827:2192,CCNC(C)Cc1cn(-c2ccc(I)c(Br)c2)nn1,NTZYHULLCTVCNI-UHFFFAOYSA-N
rxn:1:61827:2239,NC(C(=O)c1cn(-c2ccc(I)c(Br)c2)nn1)C1CC1,RPHACIDNSRSCQZ-UHFFFAOYSA-N
rxn:1:61827:23723,Brc1cc(-n2cc(C3C4CNCC43)nn2)ccc1I,WCGIICOQWLSYJX-UHFFFAOYSA-N
rxn:1:61827:31180,NCc1ccncc1-c1cn(-c2ccc(I)c(Br)c2)nn1,NTZOOHTULIBJRQ-UHFFFAOYSA-N
rxn:1:62588:30475,CCn1ncc(-c2cn(C3CCCC3I)nn2)c1C,BVKPXBBDKHGPKE-UHFFFAOYSA-N
rxn:1:62688:11880,NC12CC(c3cn(-c4cc(I)cc(I)c4I)nn3)(C1)C2,NHVMJMWDJCNCRJ-UHFFFAOYSA-N
rxn:1:63670:32049,COc1cc(-c2cn(Cc3ccc(Br)s3)nn2)cnc1CN,AVQBJFQMZUIICD-UHFFFAOYSA-N
rxn:1:63670:3871,Cc1nc(C(F)(F)F)nc(N)c1-c1cn(Cc2ccc(Br)s2)nn1,YTVSKNUJRRLDOC-UHFFFAOYSA-N
rxn:1:65678:31333,Cc1cc(N)cnc1-c1cn(CC=Cc2ccsc2Cl)nn1,AFUHMVCEEOMRKL-UHFFFAOYSA-N
rxn:1:65678:31611,COc1ncc(-c2cn(CC=Cc3ccsc3Cl)nn2)c(N)n1,SHNPOUGGKAFPIP-UHFFFAOYSA-N
rxn:3:50803:32254:155237,Cc1ccc2sc3ccc(NC(=O)c4ccc(-n5cc(-c6cncc(N(C)C)c6)nn5)cc4)cc3c(=O)c2c1,ZOEOFZIJOIFZJJ-UHFFFAOYSA-N
rxn:3:55883:12184:118949,O=C(NC1(Cc2ccoc2)CCOC1)c1cccc(C2CC2Cn2cc(C3(C(F)F)CCCC3)nn2)n1,BCOCZGKHCMAFRI-UHFFFAOYSA-N
rxn:3:64509:2184:114929,CC(c1cn(-c2cncc(C(=O)NCCC34CC(CO3)C4)c2)nn1)n1cccn1,PFMCLLNXYSULJR-UHFFFAOYSA-N
rxn:1:41711:30483,CCn1cc(-c2cn(-c3ccc(I)cc3Br)nn2)c(C)n1,FKLRRJZGCSFADV-UHFFFAOYSA-N
rxn:1:41718:23281,C[C@@H](N)Cc1cn(-c2cc(Br)ccc2I)nn1,YXRADYGMSGRADC-SSDOTTSWSA-N
rxn:1:41723:31518,Cc1ncc(O)cc1-c1cn(-c2ccc(F)cc2I)nn1,WVTUNNDFPIHHMS-UHFFFAOYSA-N
rxn:1:41904:39017,C(#Cc1ccsc1)Cn1cc(-c2nccc3cn[nH]c23)nn1,CZFZBVKYVWQQRL-UHFFFAOYSA-N
rxn:1:41907:11724,NC[C@H]1CC[C@H](c2cn(-c3ccc(I)cc3Cl)nn2)CC1,CGQVIYUGBVASKF-XYPYZODXSA-N
rxn:1:41921:1881,Cc1cscc1C#CCn1cc(-c2cnc3scnc3c2)nn1,PHKCQQKXZNGKFB-UHFFFAOYSA-N
rxn:1:42046:20555,Cc1noc(C)c1C#CCn1cc(-c2cnc(Cl)c(I)c2N)nn1,DVNILNYVPGQWJC-UHFFFAOYSA-N
rxn:1:43671:1335,Nc1ccnc(Cl)c1C#CCn1cc(-c2ncc(Cl)cc2Br)nn1,MQWLYWYPGWQXRJ-UHFFFAOYSA-N
rxn:1:43730:31425,Cc1cc(N)c(-c2cn(-c3ccc(Br)cc3I)nn2)cn1,OKHOMTRVOZSTKL-UHFFFAOYSA-N
rxn:1:43730:3722,N[C@H]1C[C@H](c2cn(-c3ccc(Br)cc3I)nn2)C1,NEUMKRVVVCHFSL-XWEPSHTISA-N
rxn:1:45354:38682,Clc1ccc(C=CCCn2cc(-c3cnc4nc[nH]c4c3)nn2)s1,FVLWLJBMFQDIHQ-UHFFFAOYSA-N
rxn:1:46035:39292,CSCc1cn(CCC=Cc2cc(F)c(F)cc2N)nn1,CDXIJTNRLYASDB-UHFFFAOYSA-N
rxn:1:47345:9252,COc1ccc(C)cc1C(O)C(O)Cn1cc(CN2C(=O)C3(C(C#N)=C(n4cccc4)N(c4ccc(F)cc4)C4=C3C(=O)CC(C)(C)C4)c3ccccc32)nn1,GXLJVHNZATWEOT-UHFFFAOYSA-N
rxn:1:47972:30236,O=C1NCC2(CCCN(C(=O)CC3CCCCC3)CCCCOc3ccccc31)CCN(C(=O)c1cn(CC(O)C(O)c3cccc(C4OCCO4)c3)nn1)CC2,WRKBURQSAFEJNJ-UHFFFAOYSA-N
rxn:1:49433:7697,Cc1csc2c(-c3cn(C4(CI)CNC4)nn3)ncnc12,YOOXMCFKSQUXLJ-UHFFFAOYSA-N
rxn:1:50334:25318,COc1ccc(-c2nnc(N3CC(c4cn(CC5C(c6cccc(C(N)=O)n6)C5(F)F)nn4)CC3=O)o2)cc1,PEIYKDDRNDBQNM-UHFFFAOYSA-N
rxn:1:57043:20555,Nc1c(-c2cn(CCCc3csc(Br)n3)nn2)cnc(Cl)c1I,DDQIWWTWBHSMLJ-UHFFFAOYSA-N
rxn:1:59915:2140,NC1(C(=O)c2cn(Cc3sc(Br)cc3Br)nn2)CC1,ICTJIJMAWLJERO-UHFFFAOYSA-N
rxn:1:59915:31333,Cc1cc(N)cnc1-c1cn(Cc2sc(Br)cc2Br)nn1,USIQZVFIJMGKDJ-UHFFFAOYSA-N
rxn:1:59927:31372,CNCCc1ccc(-c2cn(-c3ccc(F)cn3)nn2)cc1Cl,HTXJQFXAPJUBSD-UHFFFAOYSA-N
rxn:1:59985:29051,CN1CCCc2cc(-c3cn([C@@H]4CC[C@H]4I)nn3)cnc21,SUEVMGMQMHOTNU-TZMCWYRMSA-N
rxn:1:61780:31333,Cc1cc(N)cnc1-c1cn(-c2ccc(F)c(F)c2Br)nn1,HOJASMVQMCCWSD-UHFFFAOYSA-N
rxn:1:61827:23101,CC1(C)CNCC1c1cn(-c2ccc(I)c(Br)c2)nn1,NWLSJTZIILSKCF-UHFFFAOYSA-N
rxn:1:61827:28684,COC1CNC(c2cn(-c3ccc(I)c(Br)c3)nn2)C1,NLAAZFLSZVSXHR-UHFFFAOYSA-N
rxn:1:61827:31396,NCc1cccnc1-c1cn(-c2ccc(I)c(Br)c2)nn1,OMRXMMGKDRBSGJ-UHFFFAOYSA-N
rxn:1:61827:34531,NC(CO)c1cn(-c2ccc(I)c(Br)c2)nn1,STVUKHZNKATCGR-UHFFFAOYSA-N
rxn:1:61827:35359,CC(C)(C)C(N)c1cn(-c2ccc(I)c(Br)c2)nn1,PQZDBTMVVSVQKJ-UHFFFAOYSA-N
rxn:1:61906:39622,CC1CN(Cc2cn(Cc3nc(C(N)c4ccccc4)no3)nn2)CC(C)S1(=O)=O,PIAMTVRGUSSSLH-UHFFFAOYSA-N
rxn:1:62688:23723,Ic1cc(I)c(I)c(-n2cc(C3C4CNCC43)nn2)c1,JOXPLOBAQPXIKE-UHFFFAOYSA-N
rxn:1:63757:2912,NC1(c2ccc(-c3cn(Cc4ccc(Cl)s4)nn3)cc2)CCC1,GYQLVRRVFJPNIR-UHFFFAOYSA-N
rxn:1:64433:7772,C=C(CC)Cn1cc(-c2c[nH]c3cc(Br)ccc23)nn1,FGCUFCYYKILUKQ-UHFFFAOYSA-N
rxn:1:65178:21936,Cc1ccc(C(C)n2nc(C3CCCC3)cc2-c2cn(CC3CC(=O)N(c4cc(Cl)n[nH]4)C3)nn2)cc1,AJXSQQMMRHROHP-UHFFFAOYSA-N
rxn:1:65662:37717,Cc1n[nH]c2ncc(-c3cn(CC=Cc4cccs4)nn3)cc12,QSURARFOMSHUQH-UHFFFAOYSA-N
rxn:1:65678:31224,Cc1nc(-c2cn(CC=Cc3ccsc3Cl)nn2)ccc1N,ACKAPPTXXZFONU-UHFFFAOYSA-N
rxn:1:65679:31454,Nc1nc(Cl)ncc1-c1cn(CC=Cc2ccc(Cl)s2)nn1,LDBPXIHXLXIRMA-UHFFFAOYSA-N
rxn:3:63635:2489:108734,CCC1(CNC(=O)c2cnc(N3CC(Cn4cc(C(C)(C)N5CCC5)nn4)CC3=O)nc2C)CCC(C)(C)CC1,JCVPKDVZCYUBQB-UHFFFAOYSA-N
rxn:1:40474:39292,CSCc1cn(CC=Cc2cc(C)c(N)cc2Cl)nn1,MLGOTFPSBRAKIL-UHFFFAOYSA-N
rxn:1:41723:23539,Nc1c(-c2cn(-c3ccc(F)cc3I)nn2)oc2nccnc12,WRTAZQFJVKFMLG-UHFFFAOYSA-N
rxn:1:41904:32494,C[C@H](N)c1ccc(-c2cn(CC#Cc3ccsc3)nn2)cc1Cl,OEXKEXUTPBYMTD-LBPRGKRZSA-N
rxn:1:41916:1881,Cc1cc(C#CCn2cc(-c3cnc4scnc4c3)nn2)cs1,NLPAFKOMSNYOKP-UHFFFAOYSA-N
rxn:1:41916:31957,Cc1cc(C#CCn2cc(-c3cnc(F)cc3N)nn2)cs1,MIFYILFSDKFCSU-UHFFFAOYSA-N
rxn:1:41923:2689,Fc1ncc(Cl)cc1-c1cn(CC#Cc2ccsc2Cl)nn1,GIHITCBPYLESQO-UHFFFAOYSA-N
rxn:1:41923:38600,Clc1cc(-c2cn(CC#Cc3ccsc3Cl)nn2)ccn1,ZFYKFKXJQYJVCX-UHFFFAOYSA-N
rxn:1:41977:31526,Nc1ccncc1C#CCn1cc(-c2cc(I)cc(I)c2)nn1,DDNPMYAFWCZDLH-UHFFFAOYSA-N
rxn:1:43671:20489,Nc1ccnc(Cl)c1C#CCn1cc(-c2ncc(Br)cn2)nn1,SVRLWFWTOBLUMS-UHFFFAOYSA-N
rxn:1:43683:31500,C[C@@H](N)c1ccc(-c2cn(CC#Cc3cc(Cl)ncc3Br)nn2)cc1Cl,IWLWQXHKAILINV-LLVKDONJSA-N
rxn:1:43719:12195,CO[C@@H]1CNC[C@H]1c1cn(-c2ccc(Cl)c(I)c2)nn1,IHGLLHOVUYKBJJ-TVQRCGJNSA-N
rxn:1:43756:31063,NCC1CCC(c2cn(-c3ccc(I)cc3F)nn2)CC1,XYCZOAMEXCNYGJ-UHFFFAOYSA-N
rxn:1:49432:3127,FC(F)Oc1ccc(-c2cn(C3(CI)CCNC3)nn2)cc1Cl,ODQGNQIKQJVHQG-UHFFFAOYSA-N
rxn:1:54930:8718,Cc1cc(-c2cn(-c3cccc(C4CC4CS)c3)nn2)cnc1N,ARTVYKQPXFZNIW-UHFFFAOYSA-N
rxn:1:55948:3509,O=Cc1cc(Br)cc(F)c1OCc1cn(CCI)nn1,HRZPJPWTSMOUMU-UHFFFAOYSA-N
rxn:1:59853:7772,C[C@@H]1CNC[C@@H]1n1cc(-c2c[nH]c3cc(Br)ccc23)nn1,PCRFCPHZVRMFSW-PSLIRLAXSA-N
rxn:1:59915:412,Cc1cc(C)c(-c2cn(Cc3sc(Br)cc3Br)nn2)cn1,XEQBKKUTHVIFES-UHFFFAOYSA-N
rxn:1:61827:3265,CNC(C)Cc1cn(-c2ccc(I)c(Br)c2)nn1,NCRRNZQEESKIDM-UHFFFAOYSA-N
rxn:1:62588:22633,NCc1cnn(-c2ccc(-c3cn(C4CCCC4I)nn3)cc2)c1I,ZLKYLUJOMNDXAX-UHFFFAOYSA-N
rxn:1:62588:23561,Cc1cc(C)c2c(N)c(-c3cn(C4CCCC4I)nn3)oc2n1,ULCPTBHSEKWRAJ-UHFFFAOYSA-N
rxn:1:62588:2686,Cc1cc(-c2cn(C3CCCC3I)nn2)cnc1Cl,ZHJXKCBZADMORM-UHFFFAOYSA-N
rxn:1:62688:11723,Cn1cc(-c2cn(-c3cc(I)cc(I)c3I)nn2)c(CN)n1,KKDWBTJTMHZLSN-UHFFFAOYSA-N
rxn:1:62688:13825,CNC1CCCC1(O)c1cn(-c2cc(I)cc(I)c2I)nn1,LNXCYHQDFYFKOG-UHFFFAOYSA-N
rxn:1:62688:31620,N[C@@H]1CCCC[C@H]1c1cn(-c2cc(I)cc(I)c2I)nn1,HXPRFRRAQYSPGS-MWLCHTKSSA-N
rxn:1:63670:14101,CNc1cnc(C)c(-c2cn(Cc3ccc(Br)s3)nn2)c1,KIOADPPPGYYDES-UHFFFAOYSA-N
rxn:1:63670:31936,Cc1cc(C=O)ccc1-c1cn(Cc2ccc(Br)s2)nn1,XKVBRQODSWXVOF-UHFFFAOYSA-N
rxn:1:63757:24341,CNC1CC1c1ccc(-c2cn(Cc3ccc(Cl)s3)nn2)cc1,XWXAKRLPBZQNCJ-UHFFFAOYSA-N
rxn:1:65306:32512,Clc1c(-c2cn(Cc3cccs3)nn2)ccnc1NC1CC1,FBVNQWJBMBYZPJ-UHFFFAOYSA-N
rxn:1:65770:31224,Cc1nc(-c2cn(CC=Cc3csc(C#N)c3)nn2)ccc1N,BMGVIKJNVSJFIT-UHFFFAOYSA-N
rxn:3:49820:7539:69377,CC(C)Cc1nc2ccccc2n1Cc1cn(CC2C(c3ccsc3C(=O)NC3COCC34CCCC4)C2(F)F)nn1,JOVULNIOHOKYED-UHFFFAOYSA-N
rxn:3:50986:35036:85226,C[Si](C)(C)C(F)(F)c1cccc(NC(=O)Cc2ccc(F)cc2C2C(Cn3cc(-c4ccncc4)nn3)C2(F)F)c1,WUJRIYHLNKNWKH-UHFFFAOYSA-N
rxn:3:51357:35051:76555,CCCc1ccc(-c2cn(CC3C(c4ccc(C(C)(C)C(=O)Nc5cccc6c5CCC6(C)C)cc4)C3(F)F)nn2)cc1,AZYDNAMXHQYSOV-UHFFFAOYSA-N
rxn:3:51426:417:97176,CC1CC(Cn2cc(-c3cn(CC4C(c5ccc(C(F)(F)F)cc5C(=O)NOCC5CCCCC5)C4(F)F)nn3)cn2)C1,GYCAMOYUPJEWBI-UHFFFAOYSA-N
rxn:3:56110:28204:81563,C=C1CN2CCCC2(c2cn(CC3CC3c3c(F)cccc3C(=O)NCc3cccc(C(F)(F)C(C)C)c3)nn2)C1,CNWQNAKYEZWULB-UHFFFAOYSA-N
rxn:3:61524:11407:107252,O=C(N[C@@H]1CCO[C@H]1C1CC1)C1(n2cc(C3CCN(C4CCCC4)CC3)nn2)CCCC1,DXSXOZDOGFOERE-GGAORHGYSA-N
rxn:1:41624:31836,Cc1cc(C#N)ncc1-c1cn(-c2ccc(Br)cc2Br)nn1,DLIVDFOAOOKBLO-UHFFFAOYSA-N
rxn:1:41711:582,Cc1cc2[nH]ccc2nc1-c1cn(-c2ccc(I)cc2Br)nn1,KSMNECINKKSJKQ-UHFFFAOYSA-N
rxn:1:41718:8535,C[C@H](N)Cc1cn(-c2cc(Br)ccc2I)nn1,YXRADYGMSGRADC-ZETCQYMHSA-N
rxn:1:41723:11724,NC[C@H]1CC[C@H](c2cn(-c3ccc(F)cc3I)nn2)CC1,HADFPULQBTXKTA-XYPYZODXSA-N
rxn:1:41723:31232,N[C@@H]1CCC[C@H](c2cn(-c3ccc(F)cc3I)nn2)C1,YEHDGLYVGUSWIH-GXSJLCMTSA-N
rxn:1:41904:2051,C[C@H](N)c1ccc(-c2cn(CC#Cc3ccsc3)nn2)cc1,BNALVXUABDZXHK-ZDUSSCGKSA-N
rxn:1:41904:31520,Nc1c(Cl)cncc1-c1cn(CC#Cc2ccsc2)nn1,UREAXTWVFAWCAD-UHFFFAOYSA-N
rxn:1:41917:31821,Cc1sccc1C#CCn1cc(-c2cnc(C#N)c(Cl)c2)nn1,ZJGRPMWNBXNJFB-UHFFFAOYSA-N
rxn:1:41918:31425,Cc1cc(N)c(-c2cn(-c3ccc(Cl)cc3I)nn2)cn1,HFAJNEYPWVGUGJ-UHFFFAOYSA-N
rxn:1:41921:122,Cc1cscc1C#CCn1cc(-c2ncnc(Cl)c2N)nn1,FQWFCERXGYZDKS-UHFFFAOYSA-N
rxn:1:41921:2179,Cc1cscc1C#CCn1cc(-c2cn[nH]c2C)nn1,SUDZTNPOBHEFFM-UHFFFAOYSA-N
rxn:1:41923:31836,Cc1cc(C#N)ncc1-c1cn(CC#Cc2ccsc2Cl)nn1,SATSQOWKIGBZIO-UHFFFAOYSA-N
rxn:1:41923:38955,Nc1n[nH]c2ccc(-c3cn(CC#Cc4ccsc4Cl)nn3)cc12,FWJZEXXYGFLRRE-UHFFFAOYSA-N
rxn:1:41975:20555,Cc1nc(N)sc1C#CCn1cc(-c2cnc(Cl)c(I)c2N)nn1,BDKJDZKGHMOFQJ-UHFFFAOYSA-N
rxn:1:43671:2983,Nc1ccnc(Cl)c1C#CCn1cc(Cc2ccc(Br)s2)nn1,MRRHQYRGRPOFHC-UHFFFAOYSA-N
rxn:1:43730:11720,CC(C)(CN)Cc1cn(-c2ccc(Br)cc2I)nn1,CWFCTVRILAVHBN-UHFFFAOYSA-N
rxn:1:49433:7776,Clc1cccc2c(-c3cn(C4(CI)CNC4)nn3)c[nH]c12,HMHXGEKUJRFVEF-UHFFFAOYSA-N
rxn:1:53562:31639,Brc1ccc(Cn2cc([C@H]3C[C@H]4C[C@H]4N3)nn2)c(I)c1,FKICTKZXBWTMQV-OASPWFOLSA-N
rxn:1:55948:36399,Cc1ncccc1-c1ccc(-c2cn(CCI)nn2)cc1,UTHDZYIREXLOSI-UHFFFAOYSA-N
rxn:1:57011:39011,Brc1cscc1CCCn1cc(-c2cnc3cn[nH]c3c2)nn1,STNZJMKVRIOVGM-UHFFFAOYSA-N
rxn:1:57012:1881,Clc1ccc(CCCn2cc(-c3cnc4scnc4c3)nn2)s1,MGWROPFTWQYRIT-UHFFFAOYSA-N
rxn:1:59915:28683,OC1CNC(c2cn(Cc3sc(Br)cc3Br)nn2)C1,JQDXPDKWZNGVII-UHFFFAOYSA-N
rxn:1:59985:28048,NCCC=Cc1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1,PBBLGSDEDLHKGQ-GDBMZVCRSA-N
rxn:1:61827:23839,Brc1cc(-n2cc(C3NCC4CCC43)nn2)ccc1I,OGILJIPDGVVGIE-UHFFFAOYSA-N
rxn:1:61827:6010,NCc1cc(-c2cn(-c3ccc(I)c(Br)c3)nn2)co1,KGTOVHIKONIHKS-UHFFFAOYSA-N
rxn:1:62588:1123,Clc1nc(Cl)nc(OCc2cn(C3CCCC3I)nn2)n1,KGCNHGVGVPJVPG-UHFFFAOYSA-N
rxn:1:62688:11740,CC(CN)c1cn(-c2cc(I)cc(I)c2I)nn1,GDZYIYKMDWWALJ-UHFFFAOYSA-N
rxn:1:62688:12195,CO[C@@H]1CNC[C@H]1c1cn(-c2cc(I)cc(I)c2I)nn1,IOGIIFUZEWSEAG-QPUJVOFHSA-N
rxn:1:62688:23101,CC1(C)CNCC1c1cn(-c2cc(I)cc(I)c2I)nn1,HQVWXRSVLBFFGG-UHFFFAOYSA-N
rxn:1:62688:2912,NC1(c2ccc(-c3cn(-c4cc(I)cc(I)c4I)nn3)cc2)CCC1,DDOMBPTXJQAKED-UHFFFAOYSA-N
rxn:1:62688:3920,OC1(Cc2cn(-c3cc(I)cc(I)c3I)nn2)CNC1,MIGUWCCQKFZXHB-UHFFFAOYSA-N
rxn:1:65609:23539,Nc1c(-c2cn(-c3c(Br)cc(Br)cc3Br)nn2)oc2nccnc12,GMRQHLWNWNQOTR-UHFFFAOYSA-N
rxn:1:65678:491,Cc1cnc(-c2cn(CC=Cc3ccsc3Cl)nn2)c(C)n1,JLUFPPFZZGIUAB-UHFFFAOYSA-N
rxn:3:40554:11636:137996,COc1cccc(Cc2ccccc2NC(=O)c2cncc(C=CCn3cc(CN(C)C)nn3)c2)c1,XIAATBJIJAPNMZ-UHFFFAOYSA-N
rxn:3:40554:2266:122034,CC(C)(C)C(CNC(=O)c1cncc(C=CCn2cc(-c3cc(F)c(F)cc3F)nn2)c1)OC1CCCCCC1,WMQDFNQBXWMLBS-UHFFFAOYSA-N
rxn:3:54202:2576:91990,O=C(N[C@H](c1ccccc1)C1CCC1)c1ccncc1C1C(CCn2cc(Cc3cc(F)ccc3F)nn2)C1(F)F,IRLOSYRTVDIJLA-UYTNTSMZSA-N
rxn:1:41711:7346,Cc1nc(N)ccc1-c1cn(-c2ccc(I)cc2Br)nn1,FJBOQEPORJAFNN-UHFFFAOYSA-N
rxn:1:41907:23539,Nc1c(-c2cn(-c3ccc(I)cc3Cl)nn2)oc2nccnc12,QGVQCMWVPPRGGN-UHFFFAOYSA-N
rxn:1:41907:23623,CC(c1cn(-c2ccc(I)cc2Cl)nn1)n1ccnc1,JDFFVZXDTUFKSY-UHFFFAOYSA-N
rxn:1:41916:31168,Cc1cc(C#CCn2cc(-c3cc(N)c(C)cn3)nn2)cs1,GEAUTBCMGSLNLM-UHFFFAOYSA-N
rxn:1:41916:31520,Cc1cc(C#CCn2cc(-c3cncc(Cl)c3N)nn2)cs1,JRQZDZAVKZASRV-UHFFFAOYSA-N
rxn:1:41916:578,Cc1cnc(-c2cn(CC#Cc3csc(C)c3)nn2)c(N)c1,DVMLUMHMGFFDGE-UHFFFAOYSA-N
rxn:1:41918:31930,Cc1cncc(-c2cn(-c3ccc(Cl)cc3I)nn2)c1N,FJAQLNZEMABTRT-UHFFFAOYSA-N
rxn:1:42029:3262,Cc1ccc(-n2cc(-c3c(C)nn(C)c3Cl)nn2)cc1I,IGSJPVCUCXKHIB-UHFFFAOYSA-N
rxn:1:43671:2756,Cc1cc(Br)c(-c2cn(CC#Cc3c(N)ccnc3Cl)nn2)s1,WNYRFOLFSASDAO-UHFFFAOYSA-N
rxn:1:54937:1881,c1cc(C2CC2Cn2cc(-c3cnc4scnc4c3)nn2)cs1,AJKVOLIMMHEQGO-UHFFFAOYSA-N
rxn:1:54960:31836,Cc1cc(C#N)ncc1-c1cn(CC2CC2c2cscc2Br)nn1,CZLMFEFXCANIRX-UHFFFAOYSA-N
rxn:1:59856:31526,C[C@@H]1CNC[C@H]1n1cc(-c2cc(I)cc(I)c2)nn1,AXVXMVOWTMEVRO-AMIZOPFISA-N
rxn:1:59915:27961,CNCC=Cc1ccc(-c2cn(Cc3sc(Br)cc3Br)nn2)cc1,HJMYZUGKYKPCLC-UHFFFAOYSA-N
rxn:1:59985:1832,I[C@@H]1CC[C@H]1n1cc(-n2cnc3c(NC4CC4)ncnc32)nn1,BWWNCPOIEFJVEE-NXEZZACHSA-N
rxn:1:61827:1050,CC(C)(N)Cc1cn(-c2ccc(I)c(Br)c2)nn1,ICMWRYWXCHIMLH-UHFFFAOYSA-N
rxn:1:62588:7772,Brc1ccc2c(-c3cn(C4CCCC4I)nn3)c[nH]c2c1,GUKGKBFSBLQVEE-UHFFFAOYSA-N
rxn:1:62588:8647,Cc1cc(-c2cn(C3CCCC3I)nn2)c(C)cc1Cl,KYCVRYIKLQUTDV-UHFFFAOYSA-N
rxn:1:62688:11753,NCC(O)c1cn(-c2cc(I)cc(I)c2I)nn1,OKGUDVCZXZJJOG-UHFFFAOYSA-N
rxn:1:62688:11996,NCC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CCC1,MSHAGUPWGZXNAS-UHFFFAOYSA-N
rxn:1:62688:12227,CCCC(C)(N)c1cn(-c2cc(I)cc(I)c2I)nn1,TVEFFUJKIFQMSG-UHFFFAOYSA-N
rxn:1:62688:23539,Nc1c(-c2cn(-c3cc(I)cc(I)c3I)nn2)oc2nccnc12,PRNPHSLUGNLKOB-UHFFFAOYSA-N
rxn:1:62688:3659,CC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CCNC1,MXFARFSUZOUBJL-UHFFFAOYSA-N
rxn:1:63670:31527,COc1nc(C)ccc1-c1cn(Cc2ccc(Br)s2)nn1,DESIWWXAECBCFK-UHFFFAOYSA-N
rxn:1:65678:31054,Nc1ncnc2c1ncn2-c1cn(CC=Cc2ccsc2Cl)nn1,PJJDENDJTRBVPQ-UHFFFAOYSA-N
rxn:1:65678:38390,Nc1nccnc1-c1cn(CC=Cc2ccsc2Cl)nn1,KKQSTZAWLVFXAN-UHFFFAOYSA-N
rxn:3:44924:31451:141403,CC(C)c1cc(C(C)C)c([C@@H](C)NC(=O)c2c(F)ccc(C#CCCn3cc(-c4cnc(C#N)cn4)nn3)c2F)c(C(C)C)c1,DOGPCIIQADSCHY-HSZRJFAPSA-N
rxn:3:53957:2990:106460,Cc1cc2c(s1)CCC2NC(=O)c1cccc(C2C(CCn3cc(-c4cc(F)c(C)cc4F)nn3)C2(F)F)c1,GKRIIUQWCXDCNW-UHFFFAOYSA-N
rxn:3:55311:18530:119399,Cc1ccccc1-n1cc(C(C)C)c(-c2cn(CC3CC3c3ccc(C(=O)NCC4CC4C4CCCC4)o3)nn2)n1,RGAPRZLHFKUZSU-UHFFFAOYSA-N
rxn:3:61795:11681:91533,CC(C)C(NC(=O)C(C)(C)Cn1cc(CN2CCCCC2c2cccnc2)nn1)C1CC1,GQROGOXADHMIEG-UHFFFAOYSA-N
rxn:1:41624:31425,Cc1cc(N)c(-c2cn(-c3ccc(Br)cc3Br)nn2)cn1,KGXXVSHSHWGURW-UHFFFAOYSA-N
rxn:1:41836:31836,Cc1cc(C#N)ncc1-c1cn(-c2cc(F)ccc2Br)nn1,LGQPQFOVKVWICH-UHFFFAOYSA-N
rxn:1:41847:37717,Cc1n[nH]c2ncc(-c3cn(CC=Cc4cscc4Br)nn3)cc12,KWAVMJRZGMZTPN-UHFFFAOYSA-N
rxn:1:41865:31957,Nc1cc(F)ncc1-c1cn(CC=Cc2ccc(I)o2)nn1,GKDRHYNSCRCYOJ-UHFFFAOYSA-N
rxn:1:41905:37717,Cc1n[nH]c2ncc(-c3cn(CC#Cc4cccs4)nn3)cc12,HHOPVDJJBMOZRS-UHFFFAOYSA-N
rxn:1:41916:38682,Cc1cc(C#CCn2cc(-c3cnc4nc[nH]c4c3)nn2)cs1,HWZPBPAJPQERHQ-UHFFFAOYSA-N
rxn:1:41923:32742,Fc1ccc(Cl)nc1-c1cn(CC#Cc2ccsc2Cl)nn1,BXSOCTNVRNOEAG-UHFFFAOYSA-N
rxn:1:41924:32091,N#Cc1ccc(N)c(-c2cn(CC#Cc3ccc(Cl)s3)nn2)c1,HFBPWFAUWAMNHG-UHFFFAOYSA-N
rxn:1:42029:13971,CCC(CN)c1cn(-c2ccc(C)c(I)c2)nn1,DTHXGHZAHRWGCW-UHFFFAOYSA-N
rxn:1:42773:2983,Brc1ccc(Cc2cn(CC#Cc3cnc4[nH]ncc4c3)nn2)s1,GOSHONIHFWQCTN-UHFFFAOYSA-N
rxn:1:43719:31425,Cc1cc(N)c(-c2cn(-c3ccc(Cl)c(I)c3)nn2)cn1,PRLFVXXMYYDGFD-UHFFFAOYSA-N
rxn:1:43730:23539,Nc1c(-c2cn(-c3ccc(Br)cc3I)nn2)oc2nccnc12,INCVPAXTKZEBPZ-UHFFFAOYSA-N
rxn:1:49433:7765,Fc1ccc2[nH]cc(-c3cn(C4(CI)CNC4)nn3)c2c1,YHJGLAHUZMUABK-UHFFFAOYSA-N
rxn:1:49861:18630,CCc1nn(Cc2cn(CC3C(c4cccc(O)c4Br)C3(F)F)nn2)cc1C(=O)O,XRYGHUDERMYNKI-UHFFFAOYSA-N
rxn:1:52906:32044,Cc1cc(-c2cn(Cc3sccc3C)nn2)ccc1CN,JSNIYXKCHXJOLJ-UHFFFAOYSA-N
rxn:1:53017:39011,c1cc(CCCn2cc(-c3cnc4cn[nH]c4c3)nn2)cs1,XNRMOLKFCRJOAV-UHFFFAOYSA-N
rxn:1:56989:37717,Cc1n[nH]c2ncc(-c3cn(CCCc4cccs4)nn3)cc12,SLXNKGKTLZVGAN-UHFFFAOYSA-N
rxn:1:59856:31699,CSc1c(Cl)ccc(Br)c1-c1cn([C@@H]2CNC[C@H]2C)nn1,XIJUUJYHVRXFLE-PRHODGIISA-N
rxn:1:59915:23101,CC1(C)CNCC1c1cn(Cc2sc(Br)cc2Br)nn1,NZHLXGRDPCMRJF-UHFFFAOYSA-N
rxn:1:59985:28185,COc1ncc(-c2cn([C@@H]3CC[C@H]3I)nn2)nc1OC,UBAYSJAYGSAWLF-GMSGAONNSA-N
rxn:1:59992:31526,N[C@@H]1CCC[C@@H]1n1cc(-c2cc(I)cc(I)c2)nn1,JVNUHBPLNJZHHY-YPMHNXCESA-N
rxn:1:60678:21009,COc1ccc(C)cc1Cn1nc(C2CCC2)cc1-c1cn(C[C@@H]2C[C@H](c3ccccc3F)CO2)nn1,OCEBWIGAOXGSCD-GOTSBHOMSA-N
rxn:1:60895:24167,COC1CN(C(=O)Cn2cc([C@@H](N)CC(C)C)nn2)CC1OC,TZTJSYAOHKSKGW-XGNXJENSSA-N
rxn:1:61656:31526,C[C@@H](N)Cn1cc(-c2cc(I)cc(I)c2)nn1,IFUIDCUFQGZDHE-SSDOTTSWSA-N
rxn:1:61657:31526,C[C@H](N)Cn1cc(-c2cc(I)cc(I)c2)nn1,IFUIDCUFQGZDHE-ZETCQYMHSA-N
rxn:1:61827:11740,CC(CN)c1cn(-c2ccc(I)c(Br)c2)nn1,PQYWTHKLMDUDPB-UHFFFAOYSA-N
rxn:1:61827:2025,CN1CCC(c2cn(-c3ccc(I)c(Br)c3)nn2)C1,ASUVPMMHHGDWHA-UHFFFAOYSA-N
rxn:1:61827:2190,CNCC(C)c1cn(-c2ccc(I)c(Br)c2)nn1,RPQCPWNWHZURNI-UHFFFAOYSA-N
rxn:1:61827:7086,N[C@@H]1CCCC[C@@H]1c1cn(-c2ccc(I)c(Br)c2)nn1,IIQIFFCXOSYLPZ-GXFFZTMASA-N
rxn:1:62588:14364,Clc1cc2ccc(-c3cn(C4CCCC4I)nn3)cc2cn1,CTHCUQJSBNNOBV-UHFFFAOYSA-N
rxn:1:62588:31624,O=Cc1cc(Cl)cc(-c2cn(C3CCCC3I)nn2)c1,SAEYQIZIEUXYSK-UHFFFAOYSA-N
rxn:1:62688:28683,OC1CNC(c2cn(-c3cc(I)cc(I)c3I)nn2)C1,PZPXTPSHXZDGDJ-UHFFFAOYSA-N
rxn:1:62688:3887,CC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CNC1,UFDLODWELHVEPD-UHFFFAOYSA-N
rxn:1:63757:31372,CNCCc1ccc(-c2cn(Cc3ccc(Cl)s3)nn2)cc1Cl,PUZYLRDQHLYZIR-UHFFFAOYSA-N
rxn:1:65678:31454,Nc1nc(Cl)ncc1-c1cn(CC=Cc2ccsc2Cl)nn1,PSMCYHXDTMGMBM-UHFFFAOYSA-N
rxn:1:65706:23539,Nc1c(-c2cn(CC=Cc3ccc(S)cc3)nn2)oc2nccnc12,VVRQUXCMRIVOTN-UHFFFAOYSA-N
rxn:1:41260:20555,C[Si](C)(C)CCn1cc(-c2cnc(Cl)c(I)c2N)nn1,KHRMFYNWLGTGTM-UHFFFAOYSA-N
rxn:1:41711:31930,Cc1cncc(-c2cn(-c3ccc(I)cc3Br)nn2)c1N,IKIONKLBEOQYMY-UHFFFAOYSA-N
rxn:1:41865:39016,Ic1ccc(C=CCn2cc(-c3nccc4[nH]ncc34)nn2)o1,FZSVZPXFNLADPN-UHFFFAOYSA-N
rxn:1:41904:31227,NCc1ccc(-c2cn(CC#Cc3ccsc3)nn2)cc1Cl,GZKBFGFXMSCNLZ-UHFFFAOYSA-N
rxn:1:41904:38646,Nc1ccnc(-c2cn(CC#Cc3ccsc3)nn2)c1,JAXFVWCEGRBGMN-UHFFFAOYSA-N
rxn:1:41907:31425,Cc1cc(N)c(-c2cn(-c3ccc(I)cc3Cl)nn2)cn1,UBPMGBDIVGHWRB-UHFFFAOYSA-N
rxn:1:41916:122,Cc1cc(C#CCn2cc(-c3ncnc(Cl)c3N)nn2)cs1,NOOLVPASHAVHTG-UHFFFAOYSA-N
rxn:1:41916:38814,Cc1cc(C#CCn2cc(-c3cncc(Br)c3N)nn2)cs1,KOTQXLNKEDOTOX-UHFFFAOYSA-N
rxn:1:41916:39297,Cc1cc(C#CCn2cc(-c3c(C)noc3N)nn2)cs1,SVYSMWVASQATMH-UHFFFAOYSA-N
rxn:1:41917:23656,Cc1sccc1C#CCn1cc(-c2c[nH]c3ncncc23)nn1,LMEOGMJPCIHPCZ-UHFFFAOYSA-N
rxn:1:41918:23539,Nc1c(-c2cn(-c3ccc(Cl)cc3I)nn2)oc2nccnc12,SVOHALGXPXIWQM-UHFFFAOYSA-N
rxn:1:41924:23539,Nc1c(-c2cn(CC#Cc3ccc(Cl)s3)nn2)oc2nccnc12,ROMAKHTYPJVVIJ-UHFFFAOYSA-N
rxn:1:41924:2918,Clc1ccc(C#CCn2cc(-c3c[nH]c4ncnc(Cl)c34)nn2)s1,GBMKIFQEQAVHPQ-UHFFFAOYSA-N
rxn:1:42029:3659,Cc1ccc(-n2cc(C3(C)CCNC3)nn2)cc1I,HVTCSZPBHRNWKZ-UHFFFAOYSA-N
rxn:1:42186:2983,Nc1cc(Cl)ncc1C#CCn1cc(Cc2ccc(Br)s2)nn1,VKFPGLPSKOKYCZ-UHFFFAOYSA-N
rxn:1:42603:39292,CSCc1cn(CC#Cc2ccc(N)c(C)c2Cl)nn1,OLRDIBBUPOPJOE-UHFFFAOYSA-N
rxn:1:43756:31425,Cc1cc(N)c(-c2cn(-c3ccc(I)cc3F)nn2)cn1,AIRATXHYMOLBIZ-UHFFFAOYSA-N
rxn:1:45353:38682,Clc1sccc1C=CCCn1cc(-c2cnc3nc[nH]c3c2)nn1,ZIMMWUIMSPKIGC-UHFFFAOYSA-N
rxn:1:49433:31811,CC(N)c1ccc(-c2cn(C3(CI)CNC3)nn2)cc1Cl,IWIADUFBENGJSD-UHFFFAOYSA-N
rxn:1:53017:37737,Clc1ccc2c(-c3cn(CCCc4ccsc4)nn3)c[nH]c2n1,MRXDZTGBNORWSH-UHFFFAOYSA-N
rxn:1:54960:31559,CNc1ccnc(-c2cn(CC3CC3c3cscc3Br)nn2)c1,IOCYJVIHHYXORQ-UHFFFAOYSA-N
rxn:1:54960:31930,Cc1cncc(-c2cn(CC3CC3c3cscc3Br)nn2)c1N,BUPIOIYJEYXRMP-UHFFFAOYSA-N
rxn:1:59853:31526,C[C@@H]1CNC[C@@H]1n1cc(-c2cc(I)cc(I)c2)nn1,AXVXMVOWTMEVRO-OQPBUACISA-N
rxn:1:59985:28691,CNC(C)c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1,OVKHSTQLRKBOCU-SKNXHYNKSA-N
rxn:1:61838:24238,OC1CNCC1n1cc(-c2cc(Br)ccc2I)nn1,BNYOQTLVDGTLTJ-UHFFFAOYSA-N
rxn:1:62688:12162,COC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CC(N)C1,PZQIJRRRPUGMCU-UHFFFAOYSA-N
rxn:1:62688:2114,CC1(C(=O)Cc2cn(-c3cc(I)cc(I)c3I)nn2)CCCN1,UIPUOHMMZMKTJO-UHFFFAOYSA-N
rxn:1:62688:6093,Cc1n[nH]c(C)c1-c1cn(-c2cc(I)cc(I)c2I)nn1,YIHVDCQWEONSNW-UHFFFAOYSA-N
rxn:1:63670:24035,CCc1cc(-c2cn(Cc3ccc(Br)s3)nn2)ccc1N,GDIHTZGWTLPQRI-UHFFFAOYSA-N
rxn:3:43242:17722:97123,CSc1ncc(C#CCn2cc(-c3cc(C4CCCCC4)n(C(C)C)n3)nn2)c(C(=O)Nc2ccc3c(c2)C(F)(F)CC3)n1,BWUOUGMLQSXTFX-UHFFFAOYSA-N
rxn:3:43545:23731:128170,CCCC(NC(=O)c1cc(C(F)(F)F)ccc1C#CCn1cc([C@H]2C[C@H](n3ccnn3)C2)nn1)c1ccc(C(C)(C)C)cc1,CMGQGSXTROOWMC-BWPYQOBPSA-N
rxn:3:48005:17006:122067,CCc1ccc(-n2nc(-c3cn(-c4ccsc4C(=O)NC[C@H](C)CC)nn3)cc2CC)cc1,GBJHZAHLTQQFKX-QGZVFWFLSA-N
rxn:3:52876:38993:149728,COc1ccc(Oc2ccc(C)cc2)c(NC(=O)c2ncc(C3CC3CCn3cc(-c4c(C)cc(C)cc4C)nn3)cc2C)c1,CMEWHMFVHHYNBA-UHFFFAOYSA-N
rxn:1:41582:39292,CSCc1cn(CC=Cc2c(C)cc(Br)cc2C)nn1,PQLLZOCUXJDFRR-UHFFFAOYSA-N
rxn:1:41711:571,CC1(c2cn(-c3ccc(I)cc3Br)nn2)CCOCC1,JSDZBUVGRAIZAR-UHFFFAOYSA-N
rxn:1:41723:31063,NCC1CCC(c2cn(-c3ccc(F)cc3I)nn2)CC1,HADFPULQBTXKTA-UHFFFAOYSA-N
rxn:1:41904:31836,Cc1cc(C#N)ncc1-c1cn(CC#Cc2ccsc2)nn1,OYZCVZJBUUICDV-UHFFFAOYSA-N
rxn:1:41916:2918,Cc1cc(C#CCn2cc(-c3c[nH]c4ncnc(Cl)c34)nn2)cs1,KNFLZSANQIFSRJ-UHFFFAOYSA-N
rxn:1:41916:31195,Cc1cc(C#CCn2cc(-c3ccc4c(c3)CNC4)nn2)cs1,CXESMCMYHGQIFM-UHFFFAOYSA-N
rxn:1:41918:30291,Cc1nn(C)c(C)c1-c1cn(-c2ccc(Cl)cc2I)nn1,FJPZXBUSEIPIJC-UHFFFAOYSA-N
rxn:1:41921:6405,Cc1cscc1C#CCn1cc(-c2cnc(C#N)nc2)nn1,UWCIAUVNNLZDRG-UHFFFAOYSA-N
rxn:1:41923:14761,Fc1cc(Cl)ncc1-c1cn(CC#Cc2ccsc2Cl)nn1,GNSVWKRJCXVZHI-UHFFFAOYSA-N
rxn:1:41923:31611,COc1ncc(-c2cn(CC#Cc3ccsc3Cl)nn2)c(N)n1,TVQMXEHSZCWXMG-UHFFFAOYSA-N
rxn:1:42149:31526,CC(N)Cn1cc(-c2cc(I)cc(I)c2)nn1,IFUIDCUFQGZDHE-UHFFFAOYSA-N
rxn:1:42358:31526,NCc1cccc(-n2cc(-c3cc(I)cc(I)c3)nn2)c1,OPCOLOXMNZLECV-UHFFFAOYSA-N
rxn:1:42903:21893,COc1cc(C#CCn2cc(-c3cc(-c4ccccc4)nn3Cc3ccc(Cl)cc3O)nn2)ccc1C=O,NULRWZCDOHNDPB-UHFFFAOYSA-N
rxn:1:43719:11772,C[C@]1(c2cn(-c3ccc(Cl)c(I)c3)nn2)CCCN1,NRJZDDUAFWVCAG-CYBMUJFWSA-N
rxn:1:43730:31195,Brc1ccc(-n2cc(-c3ccc4c(c3)CNC4)nn2)c(I)c1,IINVBXDUMIOYSJ-UHFFFAOYSA-N
rxn:1:43730:3414,NC1(Cc2cn(-c3ccc(Br)cc3I)nn2)CC1,JGGWHCQEIVUVKT-UHFFFAOYSA-N
rxn:1:43730:3949,N[C@H]1CC[C@H](c2cn(-c3ccc(Br)cc3I)nn2)CC1,YAIZUZYMSYOFEY-HOMQSWHASA-N
rxn:1:43800:38682,Clc1ccc(C#CCCn2cc(-c3cnc4nc[nH]c4c3)nn2)s1,BGRLXIYWZBRMAW-UHFFFAOYSA-N
rxn:1:49433:31500,C[C@@H](N)c1ccc(-c2cn(C3(CI)CNC3)nn2)cc1Cl,IWIADUFBENGJSD-SECBINFHSA-N
rxn:1:50902:27744,Cc1cc(C2C(Cn3cc(C(C)(C)NC(=O)C=Cc4ccccc4Cl)nn3)C2(F)F)cc([N+](=O)[O-])c1,XCYRHFVFMAIPDK-UHFFFAOYSA-N
rxn:1:52927:20555,CCC(C)Cn1cc(-c2cnc(Cl)c(I)c2N)nn1,IJGXXFPDKWECPS-UHFFFAOYSA-N
rxn:1:53017:39297,Cc1noc(N)c1-c1cn(CCCc2ccsc2)nn1,QHPVICPLZRXGQN-UHFFFAOYSA-N
rxn:1:53095:27875,Cc1cc(C)c2cc(-c3cn(CCCBr)nn3)ccc2n1,FCRCOBSTGLYFTI-UHFFFAOYSA-N
rxn:1:53562:31611,COc1ncc(-c2cn(Cc3ccc(Br)cc3I)nn2)c(N)n1,LIRBOLLNZSMZKF-UHFFFAOYSA-N
rxn:1:55948:23536,Nc1c(-c2cn(CCI)nn2)oc2c(Br)cncc12,FOKRIAMZGAERAF-UHFFFAOYSA-N
rxn:1:57156:22738,Cc1cccc(CCCn2cc(-c3cncc(-n4nc(C5CC5)cc4I)c3)nn2)n1,HAAPQJZRSLRFTK-UHFFFAOYSA-N
rxn:1:59853:24238,C[C@@H]1CNC[C@@H]1n1cc(-c2cc(Br)ccc2I)nn1,GWZUAZGAPSUMHL-OQPBUACISA-N
rxn:1:59915:31836,Cc1cc(C#N)ncc1-c1cn(Cc2sc(Br)cc2Br)nn1,VQODMTVXFJKPMZ-UHFFFAOYSA-N
rxn:1:59985:35061,I[C@@H]1CC[C@H]1n1cc(-c2ccc3nccnc3c2)nn1,FKJHZFZJHRZIKA-QMTHXVAHSA-N
rxn:1:60071:1881,Cc1cc(-n2cc(-c3cnc4scnc4c3)nn2)cc(C)c1I,GRFXIFGRZHKREE-UHFFFAOYSA-N
rxn:1:60111:2912,NC1(c2ccc(-c3cn(I)nn3)cc2)CCC1,FKWKPSWLLQAVNR-UHFFFAOYSA-N
rxn:1:60153:26381,CCOC(=O)c1cc(Cn2cc(C3CC(=O)N(c4cc(F)c(Br)cc4Cl)C3)nn2)[nH]n1,YCSCSWSIPIORGN-UHFFFAOYSA-N
rxn:1:61797:31836,Cc1cc(C#N)ncc1-c1cn(-c2cccc(F)c2Br)nn1,KTUIVVMDNOLQDS-UHFFFAOYSA-N
rxn:1:61827:2989,CC(N)c1ccc(-c2cn(-c3ccc(I)c(Br)c3)nn2)cc1,MCJFMDSHPKOTEK-UHFFFAOYSA-N
rxn:1:61887:20555,Nc1c(-c2cn(C34CCC(N)(CC3)C4)nn2)cnc(Cl)c1I,XUWIWEPMZCQFHS-UHFFFAOYSA-N
rxn:1:62325:31526,CC(C=O)Cn1cc(-c2cc(I)cc(I)c2)nn1,COEZZULXKMLPRP-UHFFFAOYSA-N
rxn:1:62588:104,Cc1ccc2c(N)c(-c3cn(C4CCCC4I)nn3)sc2n1,RCQQEFFDCQNFTQ-UHFFFAOYSA-N
rxn:1:62688:12179,CC(N)(c1cn(-c2cc(I)cc(I)c2I)nn1)C(F)F,OSVZGLJIUYXCEL-UHFFFAOYSA-N
rxn:1:62688:4449,Clc1nncc(OCc2cn(-c3cc(I)cc(I)c3I)nn2)n1,CKWYYPBAUSYUMY-UHFFFAOYSA-N
rxn:1:63757:2971,Cc1ccc(O)c(-c2cn(Cc3ccc(Cl)s3)nn2)c1,TUZQYMWPDCIKGQ-UHFFFAOYSA-N
rxn:1:64151:884,O=C(NCc1cn(CC2CC(=O)N(Cc3ccc4c(c3)OCCO4)C2)nn1)c1cccc(F)c1Br,FRVCSCPHAJXUMD-UHFFFAOYSA-N
rxn:1:65773:37717,Cc1n[nH]c2ncc(-c3cn(CC=Cc4ccnc(Cl)c4)nn3)cc12,KHGIJVQUXKRZAR-UHFFFAOYSA-N
rxn:1:41711:37700,N[C@H]1C=C(c2cn(-c3ccc(I)cc3Br)nn2)CC1,IBCSFQHPOFEFJO-SNVBAGLBSA-N
rxn:1:41711:6093,Cc1n[nH]c(C)c1-c1cn(-c2ccc(I)cc2Br)nn1,DBZGQWSPNMHQHJ-UHFFFAOYSA-N
rxn:1:41718:23623,CC(c1cn(-c2cc(Br)ccc2I)nn1)n1ccnc1,UIEONFLZIZYCNT-UHFFFAOYSA-N
rxn:1:41718:38536,NC1(Cc2cn(-c3cc(Br)ccc3I)nn2)CCC1,MKYYJMYVAKSIMP-UHFFFAOYSA-N
rxn:1:41904:39014,C(#Cc1ccsc1)Cn1cc(-c2cncc3cn[nH]c23)nn1,KVAPXDZRRZSELF-UHFFFAOYSA-N
rxn:1:41916:8718,Cc1cc(C#CCn2cc(-c3cnc(N)c(C)c3)nn2)cs1,NGVPYOQPCVWGRU-UHFFFAOYSA-N
rxn:1:41917:3803,Cc1cc(-c2cn(CC#Cc3ccsc3C)nn2)ccc1N,TUFUZBKDIMZYNN-UHFFFAOYSA-N
rxn:1:41918:31195,Clc1ccc(-n2cc(-c3ccc4c(c3)CNC4)nn2)c(I)c1,NZEAJMTYFDVSFE-UHFFFAOYSA-N
rxn:1:41918:31232,N[C@@H]1CCC[C@H](c2cn(-c3ccc(Cl)cc3I)nn2)C1,QOBRESGHCODWGE-GXSJLCMTSA-N
rxn:1:41921:2513,Cc1cscc1C#CCn1cc(-c2c(N)c(C)nn2C)nn1,WDBCIWRMONHQBQ-UHFFFAOYSA-N
rxn:1:41923:39438,Fc1ccc(-c2cn(CC#Cc3ccsc3Cl)nn2)nc1,HCBQFFUSKWKGEE-UHFFFAOYSA-N
rxn:1:42304:340,Clc1cncc(Cl)c1C#CCn1cc(Cc2cccs2)nn1,UEECDIGEAMVVTQ-UHFFFAOYSA-N
rxn:1:42553:35342,N#Cc1ccc(N)c(C#CCn2cc(-c3ccc(Cl)s3)nn2)c1,XDNJBTCXKDEIBC-UHFFFAOYSA-N
rxn:1:43628:31957,Nc1cc(F)ncc1-c1cn(CC#Cc2ncc(Br)cn2)nn1,OXUJXOGAJZMLHI-UHFFFAOYSA-N
rxn:1:43634:39021,Brc1ncccc1C#CCn1cc(-c2cnc3[nH]ncc3c2)nn1,LHSKGWQBTYMCJA-UHFFFAOYSA-N
rxn:1:43719:3659,CC1(c2cn(-c3ccc(Cl)c(I)c3)nn2)CCNC1,RYXOUTCXIBZFLE-UHFFFAOYSA-N
rxn:1:43756:3949,N[C@H]1CC[C@H](c2cn(-c3ccc(I)cc3F)nn2)CC1,ZTQCCIBUNTWKHQ-HOMQSWHASA-N
rxn:1:43781:31821,N#Cc1ncc(-c2cn(CCC#Cc3ccsc3)nn2)cc1Cl,WWFDNTCTHCKLAI-UHFFFAOYSA-N
rxn:1:53562:31524,Nc1c(F)cncc1-c1cn(Cc2ccc(Br)cc2I)nn1,OQLPUZBIPZFTIL-UHFFFAOYSA-N
rxn:1:55948:2646,NC1(c2ccc(-c3cn(CCI)nn3)cc2)CC1,DAEYHKRXBCXEGH-UHFFFAOYSA-N
rxn:1:55948:29420,Clc1cc(-c2cn(CCI)nn2)ccc1N1CCCC1,UPCYJAFVGMQCRJ-UHFFFAOYSA-N
rxn:1:57014:28139,Nc1ncc(-c2cn(CCCc3cc(Br)cs3)nn2)c(N)n1,JRPRSRYLLRTYDL-UHFFFAOYSA-N
rxn:1:57087:8718,Cc1cc(-c2cn(CCCc3ncc(Br)cn3)nn2)cnc1N,FWWBNZFPCOTPDW-UHFFFAOYSA-N
rxn:1:59325:39089,Brc1ccc(-c2cn(CCCCc3cnc4nc[nH]c4c3)nn2)s1,HHJCOJKPILOSDU-UHFFFAOYSA-N
rxn:1:59985:205,I[C@@H]1CC[C@H]1n1cc(-c2ccc(OCC3CCC3)nc2)nn1,RMRBLLOOYSWBIE-UKRRQHHQSA-N
rxn:1:59985:23913,CCCn1nc(C)c(-c2cn([C@@H]3CC[C@H]3I)nn2)c1C,SUPGFHIZDWJBAH-DGCLKSJQSA-N
rxn:1:59985:245,I[C@@H]1CC[C@H]1n1cc(-c2cncc(OCC3CC3)c2)nn1,DAYWWVMZKKTBQP-UKRRQHHQSA-N
rxn:1:61827:11793,CC(CO)Cc1cn(-c2ccc(I)c(Br)c2)nn1,WGIZYHFMWJEDFP-UHFFFAOYSA-N
rxn:1:61827:23838,NC[C@@H]1CC[C@H]1c1cn(-c2ccc(I)c(Br)c2)nn1,OLGTUMSKHRYJJJ-WCBMZHEXSA-N
rxn:1:62327:23656,CC(CBr)Cn1cc(-c2c[nH]c3ncncc23)nn1,UHOXIOASVVRPNV-UHFFFAOYSA-N
rxn:1:62547:20555,Nc1c(-c2cn(CC34CCC3CNC4)nn2)cnc(Cl)c1I,GICFQEKOTAFWFX-UHFFFAOYSA-N
rxn:1:62688:12203,CC(C)N1C[C@@H](O)[C@@H](c2cn(-c3cc(I)cc(I)c3I)nn2)C1,PSWBZXORTNRKNZ-QMTHXVAHSA-N
rxn:1:62688:3733,Cc1ncc(N)cc1-c1cn(-c2cc(I)cc(I)c2I)nn1,NGJNPNPZFMXKKE-UHFFFAOYSA-N
rxn:1:63670:20555,Nc1c(-c2cn(Cc3ccc(Br)s3)nn2)cnc(Cl)c1I,VIKIGTPTKUCGKO-UHFFFAOYSA-N
rxn:1:63670:31836,Cc1cc(C#N)ncc1-c1cn(Cc2ccc(Br)s2)nn1,UJYMXMXTIBKPMO-UHFFFAOYSA-N
rxn:1:41711:2836,NC1CC1c1ccc(-c2cn(-c3ccc(I)cc3Br)nn2)cc1,QUKWOMHLZZJEMC-UHFFFAOYSA-N
rxn:1:41904:2587,Cc1cc(-c2cn(CC#Cc3ccsc3)nn2)cc(C)c1O,GUHAUTYZRXRNNN-UHFFFAOYSA-N
rxn:1:41904:2664,Oc1ccc(-c2cn(CC#Cc3ccsc3)nn2)c(O)c1,YGZLFLGUGAGZLP-UHFFFAOYSA-N
rxn:1:41905:2918,Clc1ncnc2[nH]cc(-c3cn(CC#Cc4cccs4)nn3)c12,MEHJDLPLKMRHIT-UHFFFAOYSA-N
rxn:1:41916:31915,Cc1cc(C#CCn2cc(-c3n[nH]c4ncnc(N)c34)nn2)cs1,DAFDITVFNWPHGO-UHFFFAOYSA-N
rxn:1:41917:1731,Cc1sccc1C#CCn1cc(-c2cc(Cl)nnc2N)nn1,ZXRCVGRNLXHGDT-UHFFFAOYSA-N
rxn:1:41918:2054,C[C@@]1(c2cn(-c3ccc(Cl)cc3I)nn2)CCCN1,VBODPWFXJBARQU-ZDUSSCGKSA-N
rxn:1:41923:8678,Cc1cc(-c2cn(CC#Cc3ccsc3Cl)nn2)cnc1C#N,YAXUPLQOLKBNDV-UHFFFAOYSA-N
rxn:1:42412:1881,BrCCCCn1cc(-c2cnc3scnc3c2)nn1,IIEVNZZQMDEGGD-UHFFFAOYSA-N
rxn:1:43719:1825,Cc1cc(N)ncc1-c1cn(-c2ccc(Cl)c(I)c2)nn1,LBRNFJQXAYXZDO-UHFFFAOYSA-N
rxn:1:43730:2036,NC1CC(c2cn(-c3ccc(Br)cc3I)nn2)C1,NEUMKRVVVCHFSL-UHFFFAOYSA-N
rxn:1:43730:31232,N[C@@H]1CCC[C@H](c2cn(-c3ccc(Br)cc3I)nn2)C1,XBACGAQLNPUOSA-GXSJLCMTSA-N
rxn:1:49437:3947,Cc1nc(Cl)nc(N)c1-c1cn(C2(CI)CCNCC2)nn1,WXHXUQVQXOARQS-UHFFFAOYSA-N
rxn:1:54993:8718,Cc1cc(-c2cn(CC3CC3c3nc(Br)cs3)nn2)cnc1N,VVSPALFTZFUSQJ-UHFFFAOYSA-N
rxn:1:57013:20555,Nc1c(-c2cn(CCCc3ccc(Br)s3)nn2)cnc(Cl)c1I,AAHFWRSBQATLKX-UHFFFAOYSA-N
rxn:1:57014:38646,Nc1ccnc(-c2cn(CCCc3cc(Br)cs3)nn2)c1,QYQNFSWJEGTDGF-UHFFFAOYSA-N
rxn:1:57043:31336,COc1cc(-c2cn(CCCc3csc(Br)n3)nn2)ccc1N,WPIGBDVFTAKBQZ-UHFFFAOYSA-N
rxn:1:59830:35061,Brc1ccc(Cn2cc(-c3ccc4nccnc4c3)nn2)o1,ZGRIMTBWFAVGTG-UHFFFAOYSA-N
rxn:1:61787:31372,CNCCc1ccc(-c2cn(-c3ncc(C)s3)nn2)cc1Cl,JRZSJXGLPADISZ-UHFFFAOYSA-N
rxn:1:61827:11742,NC[C@H]1C[C@H]1c1cn(-c2ccc(I)c(Br)c2)nn1,BGUXRZUQRBTAKM-VXNVDRBHSA-N
rxn:1:62688:31258,Ic1cc(I)c(I)c(-n2cc(C[C@H]3CNCCN3)nn2)c1,WDYZRDLXNLBLKN-VIFPVBQESA-N
rxn:1:62688:5913,Nc1nc(Cl)c(N)c(OCc2cn(-c3cc(I)cc(I)c3I)nn2)n1,VWQBSBCSVHNAFO-UHFFFAOYSA-N
rxn:1:63670:32041,COc1cc(-c2cn(Cc3ccc(Br)s3)nn2)cc(Cl)c1CN,FROCBAGZIKFNQT-UHFFFAOYSA-N
rxn:1:63757:2955,Clc1ccc2c(-c3cn(Cc4ccc(Cl)s4)nn3)c[nH]c2c1,FJMGHVDPGUCRBC-UHFFFAOYSA-N
rxn:1:65673:23584,Cc1sccc1C=CCn1cc(-c2oc3ncc(Cl)cc3c2N)nn1,FJQDRLVQGOOBCY-UHFFFAOYSA-N
rxn:1:41711:2049,N[C@@H](CO)c1ccc(-c2cn(-c3ccc(I)cc3Br)nn2)cc1,KNZWWLFCIYXQTH-AWEZNQCLSA-N
rxn:1:41711:7755,CC1(c2cn(-c3ccc(I)cc3Br)nn2)CCCN1,QNTKAWFELHMHAE-UHFFFAOYSA-N
rxn:1:41718:2140,NC1(C(=O)c2cn(-c3cc(Br)ccc3I)nn2)CC1,MMBMHJDWBUHEIV-UHFFFAOYSA-N
rxn:1:41918:412,Cc1cc(C)c(-c2cn(-c3ccc(Cl)cc3I)nn2)cn1,AGWXQUNXHXIEHK-UHFFFAOYSA-N
rxn:1:41921:31903,Cc1cscc1C#CCn1cc(-c2ccc(N)cc2C)nn1,PLSGISICHQALBC-UHFFFAOYSA-N
rxn:1:41923:23584,Nc1c(-c2cn(CC#Cc3ccsc3Cl)nn2)oc2ncc(Cl)cc12,ACMPEMUBWXFBKC-UHFFFAOYSA-N
rxn:1:41923:31930,Cc1cncc(-c2cn(CC#Cc3ccsc3Cl)nn2)c1N,BJMSDPFNNMVAQB-UHFFFAOYSA-N
rxn:1:42304:341,Clc1cncc(Cl)c1C#CCn1cc(Cc2ccsc2)nn1,ZSFSLXCBSQMPPV-UHFFFAOYSA-N
rxn:1:42553:39089,N#Cc1ccc(N)c(C#CCn2cc(-c3ccc(Br)s3)nn2)c1,YGLFYMOXFNVFHB-UHFFFAOYSA-N
rxn:1:43671:1421,Nc1ccnc(Cl)c1C#CCn1cc(-c2ccc(F)c(Br)c2)nn1,OCPOTWPCANGLLF-UHFFFAOYSA-N
rxn:1:43799:39278,CCC(N)c1cn(CCC#Cc2ccsc2Cl)nn1,XTGBAOAMVHPYAB-UHFFFAOYSA-N
rxn:1:45686:39292,CSCc1cn(CCC=Cc2ccc(Cl)cc2N)nn1,JILDXPNMHDHCCW-UHFFFAOYSA-N
rxn:1:46037:39292,CSCc1cn(CCC=Cc2cc(F)cc(Cl)c2N)nn1,TWSZNYYHHNORDV-UHFFFAOYSA-N
rxn:1:57010:23539,Nc1c(-c2cn(CCCc3ccsc3Cl)nn2)oc2nccnc12,TXHAOJHGQXVIQZ-UHFFFAOYSA-N
rxn:1:57012:31438,N#Cc1cnc(N)c(-c2cn(CCCc3ccc(Cl)s3)nn2)c1,GXAIEFWCDZHZSW-UHFFFAOYSA-N
rxn:1:59856:7771,C[C@@H]1CNC[C@H]1n1cc(-c2c[nH]c3c(Br)cccc23)nn1,LHLTUVYADSVJJQ-YMTOWFKASA-N
rxn:1:59985:2868,CCOc1cccc(-c2cn([C@@H]3CC[C@H]3I)nn2)c1O,YEORXCVVNNQDIX-ZYHUDNBSSA-N
rxn:1:60071:6187,Cc1cc(-n2cc(C3(O)CCSC3)nn2)cc(C)c1I,LKTLQNUYZUHMQY-UHFFFAOYSA-N
rxn:1:61827:31429,NCc1cccc(-c2cn(-c3ccc(I)c(Br)c3)nn2)c1F,CYPIUWNFDXIRQV-UHFFFAOYSA-N
rxn:1:62588:37756,COc1cc(C)cc(C)c1-c1cn(C2CCCC2I)nn1,RCQFDSHVKZPDRX-UHFFFAOYSA-N
rxn:1:62688:11736,NCC1(Cc2cn(-c3cc(I)cc(I)c3I)nn2)CCC1,IPVGTSKZXOKUMR-UHFFFAOYSA-N
rxn:1:62688:31641,CC(C)(CN)c1ccc(-c2cn(-c3cc(I)cc(I)c3I)nn2)cc1,CCGZJIXQUYATOZ-UHFFFAOYSA-N
rxn:1:62688:38413,CC(C)C(N)c1cn(-c2cc(I)cc(I)c2I)nn1,KOWDIUDRKDUTLL-UHFFFAOYSA-N
rxn:1:63757:1730,Clc1ccc(Cn2cc(-c3ccc(C4CCCN4)cc3)nn2)s1,OUMUUMYFCULTED-UHFFFAOYSA-N
rxn:1:63757:20555,Nc1c(-c2cn(Cc3ccc(Cl)s3)nn2)cnc(Cl)c1I,QMZCFWDPUXESSX-UHFFFAOYSA-N
rxn:1:65678:39280,COc1ccnc(-c2cn(CC=Cc3ccsc3Cl)nn2)c1,FXGKAWULDBSLRP-UHFFFAOYSA-N
rxn:1:40062:35342,Nc1cc(Cl)ncc1C=CCn1cc(-c2ccc(Cl)s2)nn1,JDOTYQLDOMRPRV-UHFFFAOYSA-N
rxn:1:40607:35342,Cc1c(C=CCn2cc(-c3ccc(Cl)s3)nn2)cnc(N)c1N,DHAUWAZJOOMVTJ-UHFFFAOYSA-N
rxn:1:41865:31438,N#Cc1cnc(N)c(-c2cn(CC=Cc3ccc(I)o3)nn2)c1,FZSCGINPXBKMDV-UHFFFAOYSA-N
rxn:1:41916:39021,Cc1cc(C#CCn2cc(-c3cnc4[nH]ncc4c3)nn2)cs1,HIOBGQAYHJSMTR-UHFFFAOYSA-N
rxn:1:41917:39021,Cc1sccc1C#CCn1cc(-c2cnc3[nH]ncc3c2)nn1,DHKXIYKURQIRIO-UHFFFAOYSA-N
rxn:1:41921:31333,Cc1cscc1C#CCn1cc(-c2ncc(N)cc2C)nn1,IOBGJPJMKHFCEB-UHFFFAOYSA-N
rxn:1:42029:2059,Cc1ccc(-n2cc(C3(N)CCC3)nn2)cc1I,FGJWRZYMCIXJAP-UHFFFAOYSA-N
rxn:1:43627:20555,Nc1c(-c2cn(CC#Cc3ncc(Cl)cn3)nn2)cnc(Cl)c1I,PXKUIDYJRMBYDE-UHFFFAOYSA-N
rxn:1:43719:11848,NC1CCC(c2cn(-c3ccc(Cl)c(I)c3)nn2)CC1,SAXTZIRRAISHRF-UHFFFAOYSA-N
rxn:1:43719:2054,C[C@@]1(c2cn(-c3ccc(Cl)c(I)c3)nn2)CCCN1,NRJZDDUAFWVCAG-ZDUSSCGKSA-N
rxn:1:48960:23539,Nc1c(-c2cn(CC(O)c3csc(Cl)c3)nn2)oc2nccnc12,PBZAQMDWHKELBC-UHFFFAOYSA-N
rxn:1:49433:2788,Oc1c(Br)cc(Br)cc1-c1cn(C2(CI)CNC2)nn1,OEQZKRPUSYLHRS-UHFFFAOYSA-N
rxn:1:55683:20555,CC1(Cn2cc(-c3cnc(Cl)c(I)c3N)nn2)CCCC1(F)F,FTMFLVKQPRPLCR-UHFFFAOYSA-N
rxn:1:56989:38682,c1csc(CCCn2cc(-c3cnc4nc[nH]c4c3)nn2)c1,ZLBXCXLUCMNGLO-UHFFFAOYSA-N
rxn:1:58975:39089,Nc1cc(Cl)ncc1CCCCn1cc(-c2ccc(Br)s2)nn1,SHMWIMARMSECKY-UHFFFAOYSA-N
rxn:1:59847:1886,Cc1cc(N)nc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)c1,ARKGNVYMSYTHMO-BXUZGUMPSA-N
rxn:1:59915:31469,Cc1ncc(-c2cn(Cc3sc(Br)cc3Br)nn2)cc1N,HJPWUEMSZNWFEX-UHFFFAOYSA-N
rxn:1:59934:39089,NCCc1ccc(-n2cc(-c3ccc(Br)s3)nn2)cc1,OHNXGGPSOIHUNP-UHFFFAOYSA-N
rxn:1:62389:31836,CSC1CCC1n1cc(-c2cnc(C#N)cc2C)nn1,ZXKPRAMLJZMWSM-UHFFFAOYSA-N
rxn:1:62588:32512,Clc1c(-c2cn(C3CCCC3I)nn2)ccnc1NC1CC1,AOAZYTKZKTVRLJ-UHFFFAOYSA-N
rxn:1:63670:107,Cc1ccnc2sc(-c3cn(Cc4ccc(Br)s4)nn3)c(N)c12,XGSAHUSNIKRSPB-UHFFFAOYSA-N
rxn:1:65328:13689,Cc1cc(I)ccc1NC(=O)c1ccc(-c2cn(CCBr)nn2)cc1,QEZSNGHINGCKPW-UHFFFAOYSA-N
rxn:1:41711:11723,Cn1cc(-c2cn(-c3ccc(I)cc3Br)nn2)c(CN)n1,GCRYPYOKCYZXQQ-UHFFFAOYSA-N
rxn:1:41711:11996,NCC1(c2cn(-c3ccc(I)cc3Br)nn2)CCC1,PPDQTTPPXDCLKX-UHFFFAOYSA-N
rxn:1:41718:2912,NC1(c2ccc(-c3cn(-c4cc(Br)ccc4I)nn3)cc2)CCC1,RZHVOOSTRQFLRD-UHFFFAOYSA-N
rxn:1:41718:31333,Cc1cc(N)cnc1-c1cn(-c2cc(Br)ccc2I)nn1,VHUTTZJEDDFXQQ-UHFFFAOYSA-N
rxn:1:41916:31524,Cc1cc(C#CCn2cc(-c3cncc(F)c3N)nn2)cs1,HXURJYWNWFEALW-UHFFFAOYSA-N
rxn:1:41918:38536,NC1(Cc2cn(-c3ccc(Cl)cc3I)nn2)CCC1,YXLWTKNDPJYNBJ-UHFFFAOYSA-N
rxn:1:41923:28642,NC1CCc2cc(-c3cn(CC#Cc4ccsc4Cl)nn3)ccc21,OTTXIRKUMQYPKM-UHFFFAOYSA-N
rxn:1:43678:340,Clc1nccc(C#CCn2cc(Cc3cccs3)nn2)c1Cl,LANHEZFDLXHJFB-UHFFFAOYSA-N
rxn:1:43684:340,Clc1cc(C#CCn2cc(Cc3cccs3)nn2)cc(Cl)n1,ASJHZVXXVKFUBH-UHFFFAOYSA-N
rxn:1:43730:2060,O=C(c1cn(-c2ccc(Br)cc2I)nn1)C1CNC1,DTLHADQWKWMUBQ-UHFFFAOYSA-N
rxn:1:43730:31518,Cc1ncc(O)cc1-c1cn(-c2ccc(Br)cc2I)nn1,FKKKGDDMWABOOZ-UHFFFAOYSA-N
rxn:1:45334:39015,C(=Cc1ccsc1)CCn1cc(-c2cc3[nH]ncc3cn2)nn1,OUNWAZPOGMQBPR-UHFFFAOYSA-N
rxn:1:55970:20555,CC1CCCC(n2cc(-c3cnc(Cl)c(I)c3N)nn2)C1,HYYNCIHVNBXTKZ-UHFFFAOYSA-N
rxn:1:59915:3947,Cc1nc(Cl)nc(N)c1-c1cn(Cc2sc(Br)cc2Br)nn1,RLDPOROCHCTSON-UHFFFAOYSA-N
rxn:1:59985:196,CCCCOc1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cn1,YUJREKWBDCYIIA-TZMCWYRMSA-N
rxn:1:61827:1912,CN(C)C(C)(C)c1cn(-c2ccc(I)c(Br)c2)nn1,FBFUJHQTRZTETQ-UHFFFAOYSA-N
rxn:1:62588:36647,Cc1n[nH]cc1-c1ccc(-c2cn(C3CCCC3I)nn2)nc1,BAUDTXNAHGQUKZ-UHFFFAOYSA-N
rxn:1:62688:2035,NC1CCC(c2cn(-c3cc(I)cc(I)c3I)nn2)C1,ZAJTXXMNDXCOMZ-UHFFFAOYSA-N
rxn:1:62688:28663,CC(C)(CCN)c1cn(-c2cc(I)cc(I)c2I)nn1,FIEHWDZIUAUCOK-UHFFFAOYSA-N
rxn:1:62688:31920,Cc1nc(N)ncc1-c1cn(-c2cc(I)cc(I)c2I)nn1,OHMQFQWDSOVJHU-UHFFFAOYSA-N
rxn:1:63670:2672,NCC=Cc1cccc(-c2cn(Cc3ccc(Br)s3)nn2)c1,VAAXEJDFXWCRSS-UHFFFAOYSA-N
rxn:1:65661:31397,O=C1Cc2cc(-c3cn(CC=Cc4ccsc4)nn3)ccc2N1,MWGHICRWWWZVMN-UHFFFAOYSA-N
rxn:1:41711:12227,CCCC(C)(N)c1cn(-c2ccc(I)cc2Br)nn1,RDGJDANEISAMHZ-UHFFFAOYSA-N
rxn:1:41711:2093,CN1CCCC1c1cn(-c2ccc(I)cc2Br)nn1,FXVAFXNYRGQQMJ-UHFFFAOYSA-N
rxn:1:42360:340,Nc1nc(Cl)ncc1C#CCn1cc(Cc2cccs2)nn1,KDAHIIHSLOTZEK-UHFFFAOYSA-N
rxn:1:43730:32047,NCc1ccc(-c2cn(-c3ccc(Br)cc3I)nn2)cc1O,LZLGKOQFFDWFRO-UHFFFAOYSA-N
rxn:1:43756:31333,Cc1cc(N)cnc1-c1cn(-c2ccc(I)cc2F)nn1,FPFWFTAXEPWMBI-UHFFFAOYSA-N
rxn:1:48367:20555,Nc1c(-c2cn(CC(O)C(O)c3csc(Br)n3)nn2)cnc(Cl)c1I,KYTPMPGHGZQJSY-UHFFFAOYSA-N
rxn:1:49433:655,Cc1ccc(Br)cc1OCc1cn(C2(CI)CNC2)nn1,NOIKHCLHQXHJJN-UHFFFAOYSA-N
rxn:1:54960:39021,Brc1cscc1C1CC1Cn1cc(-c2cnc3[nH]ncc3c2)nn1,ZCRJSRNZYSKRPH-UHFFFAOYSA-N
rxn:1:55948:23537,Nc1c(-c2cn(CCI)nn2)oc2c(Cl)cncc12,CHAKPQVWNKDEBW-UHFFFAOYSA-N
rxn:1:55948:37737,Clc1ccc2c(-c3cn(CCI)nn3)c[nH]c2n1,VSBYXUXQDHWYJO-UHFFFAOYSA-N
rxn:1:56420:20555,Nc1c(-c2cn(CCCSc3nccs3)nn2)cnc(Cl)c1I,QLJATKORXFPGQA-UHFFFAOYSA-N
rxn:1:57010:31336,COc1cc(-c2cn(CCCc3ccsc3Cl)nn2)ccc1N,TZKBVWXEMMWWDW-UHFFFAOYSA-N
rxn:1:57012:31454,Nc1nc(Cl)ncc1-c1cn(CCCc2ccc(Cl)s2)nn1,JPTITXUOQVTCPA-UHFFFAOYSA-N
rxn:1:57363:2089,Cc1csc(-c2cn(CCCc3cc(Br)cnc3N)nn2)c1,NVGJRQVUVAPBKC-UHFFFAOYSA-N
rxn:1:59915:11720,CC(C)(CN)Cc1cn(Cc2sc(Br)cc2Br)nn1,HFTIYXCGQXEHBP-UHFFFAOYSA-N
rxn:1:59915:31331,COc1ccc(-c2cn(Cc3sc(Br)cc3Br)nn2)cc1CN,VUKUIULCRBLFMN-UHFFFAOYSA-N
rxn:1:60071:733,Cc1cc(-n2cc(C[C@@H](O)CCl)nn2)cc(C)c1I,UVNDHBCQBJPJJV-GFCCVEGCSA-N
rxn:1:61827:15550,CC1(C)C2CCC1(C)C(O)(c1cn(-c3ccc(I)c(Br)c3)nn1)C2,GMAPLUHJJCVSSB-UHFFFAOYSA-N
rxn:1:61827:24213,CC(Oc1cn[nH]c1)c1cn(-c2ccc(I)c(Br)c2)nn1,ZVHRXICHCIKLHN-UHFFFAOYSA-N
rxn:1:61827:28512,CC(C)(CN)c1cn(-c2ccc(I)c(Br)c2)nn1,SQDOGZQRGHKBBA-UHFFFAOYSA-N
rxn:1:62688:12155,CN(C)C1CC(c2cn(-c3cc(I)cc(I)c3I)nn2)C1,OXWMLWSZMJECGS-UHFFFAOYSA-N
rxn:1:62688:37899,NCc1sccc1-c1cn(-c2cc(I)cc(I)c2I)nn1,METHXHJSRHPCDX-UHFFFAOYSA-N
rxn:1:63670:2534,CCNc1cc(-c2cn(Cc3ccc(Br)s3)nn2)ccn1,LEHCYNNDFRCQRB-UHFFFAOYSA-N
rxn:1:65328:13358,Cc1ccc(I)cc1C(=O)Nc1ccc(-c2cn(CCBr)nn2)cc1,KOJGIXRKZKQPBZ-UHFFFAOYSA-N
rxn:1:65661:39922,COc1ccc(-c2cn(CC=Cc3ccsc3)nn2)nn1,NPFLYYFIONKVOE-UHFFFAOYSA-N
rxn:1:41711:2054,C[C@@]1(c2cn(-c3ccc(I)cc3Br)nn2)CCCN1,QNTKAWFELHMHAE-ZDUSSCGKSA-N
rxn:1:41711:31542,N[C@H]1CCCC[C@H]1c1cn(-c2ccc(I)cc2Br)nn1,RWGSNBXBJAVPAJ-PWSUYJOCSA-N
rxn:1:41711:3414,NC1(Cc2cn(-c3ccc(I)cc3Br)nn2)CC1,OBMKLBHHOUMWJA-UHFFFAOYSA-N
rxn:1:41785:31957,Cc1cc(C=CCn2cc(-c3cnc(F)cc3N)nn2)sc1Br,QBOBVVDFQXHKMS-UHFFFAOYSA-N
rxn:1:41907:31063,NCC1CCC(c2cn(-c3ccc(I)cc3Cl)nn2)CC1,CGQVIYUGBVASKF-UHFFFAOYSA-N
rxn:1:41917:38814,Cc1sccc1C#CCn1cc(-c2cncc(Br)c2N)nn1,KLKLAKPSSQVMAR-UHFFFAOYSA-N
rxn:1:41923:3313,N#Cc1cc(-c2cn(CC#Cc3ccsc3Cl)nn2)c(N)cc1F,BZSSXOACFJPGMB-UHFFFAOYSA-N
rxn:1:41924:31930,Cc1cncc(-c2cn(CC#Cc3ccc(Cl)s3)nn2)c1N,IKRRZRGVKQTWKV-UHFFFAOYSA-N
rxn:1:42066:38682,Cc1cc(Cl)ccc1C#CCn1cc(-c2cnc3nc[nH]c3c2)nn1,SHRGWNDWHPEYAU-UHFFFAOYSA-N
rxn:1:42206:20555,Cc1ncc(N)cc1C#CCn1cc(-c2cnc(Cl)c(I)c2N)nn1,UFIWSXZNDLBCQQ-UHFFFAOYSA-N
rxn:1:43671:1997,Nc1ccnc(Cl)c1C#CCn1cc(-c2cnc(Br)nc2)nn1,WRYGHJIKCPMQDI-UHFFFAOYSA-N
rxn:1:43684:2983,Clc1cc(C#CCn2cc(Cc3ccc(Br)s3)nn2)cc(Cl)n1,BBFNRWOGRIUJCY-UHFFFAOYSA-N
rxn:1:43684:341,Clc1cc(C#CCn2cc(Cc3ccsc3)nn2)cc(Cl)n1,JZYRCSLEYIUDIF-UHFFFAOYSA-N
rxn:1:49433:1805,Cc1cc(OCc2cn(C3(CI)CNC3)nn2)ccc1Cl,ZYZAFCZVUSSRFK-UHFFFAOYSA-N
rxn:1:54960:1825,Cc1cc(N)ncc1-c1cn(CC2CC2c2cscc2Br)nn1,YBFQIDOGPWKCPT-UHFFFAOYSA-N
rxn:1:54960:31054,Nc1ncnc2c1ncn2-c1cn(CC2CC2c2cscc2Br)nn1,KRNSYZDCYNDDFP-UHFFFAOYSA-N
rxn:1:57013:39367,CNC(C)c1cn(CCCc2ccc(Br)s2)nn1,KKMYPSARPAXLKG-UHFFFAOYSA-N
rxn:1:57043:31168,Cc1cnc(-c2cn(CCCc3csc(Br)n3)nn2)cc1N,KYTFXNCZGUIBBK-UHFFFAOYSA-N
rxn:1:57043:31279,Nc1c(-c2cn(CCCc3csc(Br)n3)nn2)cnc(Cl)c1F,HMLGYSFGKAQWRR-UHFFFAOYSA-N
rxn:1:57043:31588,Cc1nc(C#N)ccc1-c1cn(CCCc2csc(Br)n2)nn1,RQJCEXWOIGSJKD-UHFFFAOYSA-N
rxn:1:58985:39089,Nc1cc(F)cnc1CCCCn1cc(-c2ccc(Br)s2)nn1,KTSMFBFLGJPFSJ-UHFFFAOYSA-N
rxn:1:59875:1881,Cc1cc(-n2cc(-c3cnc4scnc4c3)nn2)cc(C)c1Br,ROZHSPQBXWCDEH-UHFFFAOYSA-N
rxn:1:59907:31811,COc1ccc(Br)cc1-n1cc(-c2ccc(C(C)N)c(Cl)c2)nn1,YCVYRUANSCVHOP-UHFFFAOYSA-N
rxn:1:59985:32512,Clc1c(-c2cn([C@@H]3CC[C@H]3I)nn2)ccnc1NC1CC1,BDIXFKRUVQUADA-ZYHUDNBSSA-N
rxn:1:61533:31372,CNCCc1ccc(-c2cn(Cc3csc(Cl)n3)nn2)cc1Cl,GIQGSFSRCQESLY-UHFFFAOYSA-N
rxn:1:62588:28650,NC1CCOc2ccc(-c3cn(C4CCCC4I)nn3)cc21,SXSNTTGOIUMNSW-UHFFFAOYSA-N
rxn:1:62588:28691,CNC(C)c1ccc(-c2cn(C3CCCC3I)nn2)cc1,DPNDNRQOPUWJQM-UHFFFAOYSA-N
rxn:1:62688:2190,CNCC(C)c1cn(-c2cc(I)cc(I)c2I)nn1,BNWNMLGXYSSESV-UHFFFAOYSA-N
rxn:1:62688:28636,CC(C)(N)CCc1cn(-c2cc(I)cc(I)c2I)nn1,RYBMQBVLKKRLBI-UHFFFAOYSA-N
rxn:1:62688:3414,NC1(Cc2cn(-c3cc(I)cc(I)c3I)nn2)CC1,DTKVFQSNLGHASA-UHFFFAOYSA-N
rxn:1:65661:7346,Cc1nc(N)ccc1-c1cn(CC=Cc2ccsc2)nn1,KBPKDWGIVOVHHI-UHFFFAOYSA-N
rxn:1:65678:8678,Cc1cc(-c2cn(CC=Cc3ccsc3Cl)nn2)cnc1C#N,ZKOQOXPJCSDBCF-UHFFFAOYSA-N
rxn:1:65679:31927,Nc1ncncc1-c1cn(CC=Cc2ccc(Cl)s2)nn1,JDOWDVRBJOEONW-UHFFFAOYSA-N
rxn:1:41711:1050,CC(C)(N)Cc1cn(-c2ccc(I)cc2Br)nn1,WPNCUWRMMHTEOB-UHFFFAOYSA-N
rxn:1:41711:7034,Brc1cc(I)ccc1-n1cc(C2CC23CCNCC3)nn1,FDURGVXXFQTZJE-UHFFFAOYSA-N
rxn:1:41718:1825,Cc1cc(N)ncc1-c1cn(-c2cc(Br)ccc2I)nn1,WBOAYNQMNURDDC-UHFFFAOYSA-N
rxn:1:41745:31232,N[C@@H]1CCC[C@H](c2cn(-c3ccc(Cl)c(Br)c3)nn2)C1,YQUDZCLXEZVYQG-VHSXEESVSA-N
rxn:1:41907:30291,Cc1nn(C)c(C)c1-c1cn(-c2ccc(I)cc2Cl)nn1,WPLIFCFHQSAJRS-UHFFFAOYSA-N
rxn:1:41916:23539,Cc1cc(C#CCn2cc(-c3oc4nccnc4c3N)nn2)cs1,QJVNWVSLDZUKFZ-UHFFFAOYSA-N
rxn:1:41918:3699,Cc1c(N)cncc1-c1cn(-c2ccc(Cl)cc2I)nn1,SWVZKTVWOPYQRJ-UHFFFAOYSA-N
rxn:1:41920:8718,Cc1cc(-c2cn(CC#Cc3sccc3C)nn2)cnc1N,ILEOUMKNECNNGW-UHFFFAOYSA-N
rxn:1:41921:39297,Cc1cscc1C#CCn1cc(-c2c(C)noc2N)nn1,AEWSBHIGBHBANL-UHFFFAOYSA-N
rxn:1:41923:3947,Cc1nc(Cl)nc(N)c1-c1cn(CC#Cc2ccsc2Cl)nn1,MNBVIKQTXAUPSB-UHFFFAOYSA-N
rxn:1:42234:2983,Clc1ncc(C#CCn2cc(Cc3ccc(Br)s3)nn2)c(Cl)n1,UOUYMKDBXBZXDP-UHFFFAOYSA-N
rxn:1:43719:11846,CCCNCc1cn(-c2ccc(Cl)c(I)c2)nn1,YXGQEGLNKVIFMG-UHFFFAOYSA-N
rxn:1:43730:3870,CC1(c2cn(-c3ccc(Br)cc3I)nn2)CCCNC1,OCRIONZEMGOUDP-UHFFFAOYSA-N
rxn:1:43730:4157,C=C(Cl)CNCc1cn(-c2ccc(Br)cc2I)nn1,FKXBYODWDXOAOR-UHFFFAOYSA-N
rxn:1:47795:8679,Cc1cc(Cl)cnc1-c1cn(-c2ncc(C=O)c3cc[nH]c23)nn1,UGYAAJTVKDPUQF-UHFFFAOYSA-N
rxn:1:49432:2646,NC1(c2ccc(-c3cn(C4(CI)CCNC4)nn3)cc2)CC1,BSKZPLCWMBJLOK-UHFFFAOYSA-N
rxn:1:49433:7775,Clc1ccc2[nH]cc(-c3cn(C4(CI)CNC4)nn3)c2c1,IFPKRAHKUZKKIE-UHFFFAOYSA-N
rxn:1:51788:20555,Nc1c(-c2cn(CC3CC=CC3)nn2)cnc(Cl)c1I,BJOXRBYPOKWENP-UHFFFAOYSA-N
rxn:1:55948:105,Cc1nc2sc(-c3cn(CCI)nn3)c(N)c2c(C)c1C,KIJZMTUZKQMMNR-UHFFFAOYSA-N
rxn:1:55948:2672,NCC=Cc1cccc(-c2cn(CCI)nn2)c1,HXRAQMSYKJPVBF-UHFFFAOYSA-N
rxn:1:57012:31927,Nc1ncncc1-c1cn(CCCc2ccc(Cl)s2)nn1,SCFMOWKAURRIKW-UHFFFAOYSA-N
rxn:1:57037:20555,Cc1cnc(CCCn2cc(-c3cnc(Cl)c(I)c3N)nn2)s1,GNTJOAVIRNJAAF-UHFFFAOYSA-N
rxn:1:57043:31552,Nc1ncc(-c2cn(CCCc3csc(Br)n3)nn2)cc1F,XTFPBBRTQPUDIQ-UHFFFAOYSA-N
rxn:1:57043:31947,Oc1c(Cl)cc(-c2cn(CCCc3csc(Br)n3)nn2)cc1Cl,IIDALFYWMJPVHN-UHFFFAOYSA-N
rxn:1:59847:29580,Cc1ccc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)c(N)n1,XYMIERYWJOWBQI-TZMCWYRMSA-N
rxn:1:59847:3262,Cc1nn(C)c(Cl)c1-c1cn([C@@H]2CCCCC[C@H]2I)nn1,GNSGHHHQCYTMHI-ZYHUDNBSSA-N
rxn:1:59915:31425,Cc1cc(N)c(-c2cn(Cc3sc(Br)cc3Br)nn2)cn1,ZPPPZHHTADDFOB-UHFFFAOYSA-N
rxn:1:59985:23542,COc1ccc2c(N)c(-c3cn([C@@H]4CC[C@H]4I)nn3)oc2c1,YJKNWSKBEXQGAP-ZYHUDNBSSA-N
rxn:1:62034:28639,NC1CCc2ccc(-c3cn(C4CCSC4)nn3)cc21,YBEBMAJVEITAOV-UHFFFAOYSA-N
rxn:1:62588:7372,Cc1cc(Cl)ccc1OCc1cn(C2CCCC2I)nn1,MUAUQLXXCUPHMA-UHFFFAOYSA-N
rxn:1:62688:23891,COC[C@H]1CNC[C@H]1c1cn(-c2cc(I)cc(I)c2I)nn1,ACSZDCJUJKRVSF-PSASIEDQSA-N
rxn:1:62688:7279,CC[C@H](N)c1cn(-c2cc(I)cc(I)c2I)nn1,GFILTKNGQCFKES-QMMMGPOBSA-N
rxn:1:65679:23539,Nc1c(-c2cn(CC=Cc3ccc(Cl)s3)nn2)oc2nccnc12,DYXCEWSIQIGRCA-UHFFFAOYSA-N
rxn:1:40117:340,Nc1ncc(C=CCn2cc(Cc3cccs3)nn2)cc1O,COVMJCVMRJYCLQ-UHFFFAOYSA-N
rxn:1:41916:32373,Cc1cc(C#CCn2cc(-c3cnc4c(Cl)nc(Cl)nn34)nn2)cs1,DNPCCLPYCNXTNB-UHFFFAOYSA-N
rxn:1:41923:38814,Nc1c(Br)cncc1-c1cn(CC#Cc2ccsc2Cl)nn1,LNUCBKMPEMNTCB-UHFFFAOYSA-N
rxn:1:41975:2983,Cc1nc(N)sc1C#CCn1cc(Cc2ccc(Br)s2)nn1,VKMDUOIEZKZCPR-UHFFFAOYSA-N
rxn:1:42366:31558,Cc1sc(Br)nc1-c1cn(CC#Cc2cnc(N)nc2Cl)nn1,PJLCTFJLEIKRPH-UHFFFAOYSA-N
rxn:1:42730:23567,Cc1nc(N)c(N)cc1C#CCn1cc(-c2sc3c(I)cncc3c2N)nn1,HHPJHCLHEUXKAG-UHFFFAOYSA-N
rxn:1:42796:2983,Clc1ncnc2[nH]nc(C#CCn3cc(Cc4ccc(Br)s4)nn3)c12,YQWCIXJOMARVJC-UHFFFAOYSA-N
rxn:1:43799:39016,Clc1sccc1C#CCCn1cc(-c2nccc3[nH]ncc23)nn1,SBZRJCKDPGCDCV-UHFFFAOYSA-N
rxn:1:48865:2788,CN(C)Cc1ccc(-n2cc(-c3cc(Br)cc(Br)c3O)nn2)cc1,WBSKBFKYSHSBMP-UHFFFAOYSA-N
rxn:1:54960:1881,Brc1cscc1C1CC1Cn1cc(-c2cnc3scnc3c2)nn1,NRJSOZQDZRMZLZ-UHFFFAOYSA-N
rxn:1:54993:31336,COc1cc(-c2cn(CC3CC3c3nc(Br)cs3)nn2)ccc1N,ABEIEBFKCAPVPL-UHFFFAOYSA-N
rxn:1:55948:27790,CC1(C)Cc2nc(-c3cn(CCI)nn3)ccc2C(O)C1,LGXLSILHICVYGQ-UHFFFAOYSA-N
rxn:1:55948:28691,CNC(C)c1ccc(-c2cn(CCI)nn2)cc1,OEUBNHXDDBQBHI-UHFFFAOYSA-N
rxn:1:55948:31170,CC(C)c1ccnc(-c2cn(CCI)nn2)c1,ISFFUENBSDTWRL-UHFFFAOYSA-N
rxn:1:57011:31509,OCc1cncc(-c2cn(CCCc3cscc3Br)nn2)c1,GCGKMJSQNPCCDK-UHFFFAOYSA-N
rxn:1:57011:3803,Cc1cc(-c2cn(CCCc3cscc3Br)nn2)ccc1N,JKWXRSQBSLDDIS-UHFFFAOYSA-N
rxn:1:57011:39020,Brc1cscc1CCCn1cc(-c2ccc3cn[nH]c3n2)nn1,IQGSCELKOOHITO-UHFFFAOYSA-N
rxn:1:57399:39089,Cc1cnc(CCCn2cc(-c3ccc(Br)s3)nn2)c(N)c1,VVNQRFZLNVWAPA-UHFFFAOYSA-N
rxn:1:59830:37822,CSc1ncc(-c2cn(Cc3ccc(Br)o3)nn2)c(C)n1,MPWGTZMJJVVMBI-UHFFFAOYSA-N
rxn:1:59985:1251,CN(C)c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cn1,PPAWGDQZLDWWRX-ZYHUDNBSSA-N
rxn:1:59985:2527,COC(=N)c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cn1,OYJSBSSHJKJWLJ-BXKDBHETSA-N
rxn:1:61677:1881,C[C@@H](c1ccc(F)cc1F)n1cc(-c2cnc3scnc3c2)nn1,CGMDMPIJONQOGT-VIFPVBQESA-N
rxn:1:61827:37700,N[C@H]1C=C(c2cn(-c3ccc(I)c(Br)c3)nn2)CC1,YQXZQINTKDPVLB-SECBINFHSA-N
rxn:1:62327:31376,CNCCc1ccc(-c2cn(CC(C)CBr)nn2)c(Cl)c1,YHHUELSLFCPFNR-UHFFFAOYSA-N
rxn:1:62688:23184,CCC(C)(N)c1cn(-c2cc(I)cc(I)c2I)nn1,ZVGCUQDAHUTXMU-UHFFFAOYSA-N
rxn:1:62688:23720,CN1CC2CC2(c2cn(-c3cc(I)cc(I)c3I)nn2)C1,IAXBRMWECCYMGD-UHFFFAOYSA-N
rxn:1:62688:28528,CC(CC1CNC1)c1cn(-c2cc(I)cc(I)c2I)nn1,KQWQCNVKMWQIAY-UHFFFAOYSA-N
rxn:1:62688:28684,COC1CNC(c2cn(-c3cc(I)cc(I)c3I)nn2)C1,RAAZZNVVTVTFTH-UHFFFAOYSA-N
rxn:1:62688:31542,N[C@H]1CCCC[C@H]1c1cn(-c2cc(I)cc(I)c2I)nn1,HXPRFRRAQYSPGS-KOLCDFICSA-N
rxn:1:62688:3895,NC1CC(O)(c2cn(-c3cc(I)cc(I)c3I)nn2)C1,GYXQSSYBQMHIPS-UHFFFAOYSA-N
rxn:1:62688:7094,CNCC(C)Cc1cn(-c2cc(I)cc(I)c2I)nn1,WMNBOFOMSVLFKR-UHFFFAOYSA-N
rxn:1:63670:28048,NCCC=Cc1ccc(-c2cn(Cc3ccc(Br)s3)nn2)cc1,ZDXDYVMNQMQMBB-UHFFFAOYSA-N
rxn:1:63757:3871,Cc1nc(C(F)(F)F)nc(N)c1-c1cn(Cc2ccc(Cl)s2)nn1,YIWQCYIJNAGYIN-UHFFFAOYSA-N
rxn:1:65661:31821,N#Cc1ncc(-c2cn(CC=Cc3ccsc3)nn2)cc1Cl,DJYSUZLKFYUJPG-UHFFFAOYSA-N
rxn:1:41711:31836,Cc1cc(C#N)ncc1-c1cn(-c2ccc(I)cc2Br)nn1,RLIKNMFFVSGQQW-UHFFFAOYSA-N
rxn:1:41718:31195,Brc1ccc(I)c(-n2cc(-c3ccc4c(c3)CNC4)nn2)c1,BMSQPVITVVDAPF-UHFFFAOYSA-N
rxn:1:41788:38814,Cc1csc(C=CCn2cc(-c3cncc(Br)c3N)nn2)c1,GDWTZXXPVQISES-UHFFFAOYSA-N
rxn:1:41847:31425,Cc1cc(N)c(-c2cn(CC=Cc3cscc3Br)nn2)cn1,WJLVGDFOBCGNQX-UHFFFAOYSA-N
rxn:1:41917:31469,Cc1ncc(-c2cn(CC#Cc3ccsc3C)nn2)cc1N,SICSHKWQBSFQJY-UHFFFAOYSA-N
rxn:1:41924:35061,Clc1ccc(C#CCn2cc(-c3ccc4nccnc4c3)nn2)s1,QMRJCBAVCMDOTJ-UHFFFAOYSA-N
rxn:1:41975:340,Cc1nc(N)sc1C#CCn1cc(Cc2cccs2)nn1,CVBWKVQJKRNOTH-UHFFFAOYSA-N
rxn:1:42206:2983,Cc1ncc(N)cc1C#CCn1cc(Cc2ccc(Br)s2)nn1,CLSRDRCJNFGNHJ-UHFFFAOYSA-N
rxn:1:42259:1881,CC(c1ccc(F)cc1F)n1cc(-c2cnc3scnc3c2)nn1,CGMDMPIJONQOGT-UHFFFAOYSA-N
rxn:1:42777:2983,Brc1ccc(Cc2cn(CC#Cc3cnc4cn[nH]c4c3)nn2)s1,UQKSMIYGEFXXAE-UHFFFAOYSA-N
rxn:1:42845:2983,Nc1ncnc2[nH]nc(C#CCn3cc(Cc4ccc(Br)s4)nn3)c12,CWVMJXCJRYURRT-UHFFFAOYSA-N
rxn:1:44424:35342,N#Cc1cc(C#CCCn2cc(-c3ccc(Cl)s3)nn2)cnc1O,TZOQJIHORCRJFO-UHFFFAOYSA-N
rxn:1:55948:1306,Cc1ccnc(C)c1-c1cn(CCI)nn1,NBQOQHQDZXGEEH-UHFFFAOYSA-N
rxn:1:57010:31454,Nc1nc(Cl)ncc1-c1cn(CCCc2ccsc2Cl)nn1,KXONBICDXRWQEC-UHFFFAOYSA-N
rxn:1:59847:37822,CSc1ncc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)c(C)n1,XZUWAXYLLDLWHM-TZMCWYRMSA-N
rxn:1:61544:1858,c1cnc2cc(-c3cn(C4C5CC6C(C5)C64)nn3)cnc2c1,SLABLUCRDZFZRW-UHFFFAOYSA-N
rxn:1:61827:5913,Nc1nc(Cl)c(N)c(OCc2cn(-c3ccc(I)c(Br)c3)nn2)n1,GONOURLNRDCTGI-UHFFFAOYSA-N
rxn:1:61827:8833,NCc1ccccc1-c1cn(-c2ccc(I)c(Br)c2)nn1,SLFSNSPEBZZKFF-UHFFFAOYSA-N
rxn:1:62588:27954,NCC=Cc1ccc(-c2cn(C3CCCC3I)nn2)cc1,CEUWNABGAVCOTM-UHFFFAOYSA-N
rxn:1:62588:32324,Clc1ccc2c(-c3cn(C4CCCC4I)nn3)ccnc2c1,RLHUXUSYMFLKLM-UHFFFAOYSA-N
rxn:1:62688:23074,CC1(C)COC(c2cn(-c3cc(I)cc(I)c3I)nn2)CN1,AARYPPFQBQFVMV-UHFFFAOYSA-N
rxn:1:62688:31333,Cc1cc(N)cnc1-c1cn(-c2cc(I)cc(I)c2I)nn1,VZQAHLPJWRHRSI-UHFFFAOYSA-N
rxn:1:62688:6548,CNCC(C)(C)Cc1cn(-c2cc(I)cc(I)c2I)nn1,MAJJEQXUZZEZCT-UHFFFAOYSA-N
rxn:1:63670:32512,Clc1c(-c2cn(Cc3ccc(Br)s3)nn2)ccnc1NC1CC1,WYQVXCFCQVPDPQ-UHFFFAOYSA-N
rxn:1:65661:31930,Cc1cncc(-c2cn(CC=Cc3ccsc3)nn2)c1N,QHYCOJMNJCDMNF-UHFFFAOYSA-N
rxn:1:65661:39016,C(=Cc1ccsc1)Cn1cc(-c2nccc3[nH]ncc23)nn1,LMULVBIEINRNBP-UHFFFAOYSA-N
rxn:1:41718:7442,CC(CN)(CO)Cc1cn(-c2cc(Br)ccc2I)nn1,CHTAAXWIKSOBHK-UHFFFAOYSA-N
rxn:1:41921:1339,Cc1cscc1C#CCn1cc(-c2cc(F)c(N)cc2C)nn1,DRJASQXFWVTBMI-UHFFFAOYSA-N
rxn:1:41924:31168,Cc1cnc(-c2cn(CC#Cc3ccc(Cl)s3)nn2)cc1N,UHJWVWXOBNBXKK-UHFFFAOYSA-N
rxn:1:41924:31836,Cc1cc(C#N)ncc1-c1cn(CC#Cc2ccc(Cl)s2)nn1,OUCJQPWCORZQAM-UHFFFAOYSA-N
rxn:1:42188:39921,Nc1ncc(Cl)cc1C#CCn1cc(-c2ccc(I)nn2)nn1,LSXBCNCXLUEKLR-UHFFFAOYSA-N
rxn:1:43679:2983,Fc1c(C#CCn2cc(Cc3ccc(Br)s3)nn2)ccnc1Cl,FLRRBDUMIBHICI-UHFFFAOYSA-N
rxn:1:43719:3870,CC1(c2cn(-c3ccc(Cl)c(I)c3)nn2)CCCNC1,IBFDYSMCTWIRKH-UHFFFAOYSA-N
rxn:1:43730:31180,NCc1ccncc1-c1cn(-c2ccc(Br)cc2I)nn1,YGJVTNKZZNMMAG-UHFFFAOYSA-N
rxn:1:43730:31333,Cc1cc(N)cnc1-c1cn(-c2ccc(Br)cc2I)nn1,MSNFVSHGNWWDOW-UHFFFAOYSA-N
rxn:1:49432:4564,Clc1ccc(OCc2cn(C3(CI)CCNC3)nn2)c(Br)c1,MNOSEFFAVRDXEX-UHFFFAOYSA-N
rxn:1:50513:1825,Cc1cc(N)ncc1-c1cn(CCCCCI)nn1,OIFJVDJKMYVOBG-UHFFFAOYSA-N
rxn:1:54959:31454,Nc1nc(Cl)ncc1-c1cn(CC2CC2c2ccsc2Cl)nn1,JMTFBIFGGGRKOA-UHFFFAOYSA-N
rxn:1:54960:3803,Cc1cc(-c2cn(CC3CC3c3cscc3Br)nn2)ccc1N,LWTBFXSPSMUZQP-UHFFFAOYSA-N
rxn:1:54963:3803,Cc1cc(-c2cn(CC3CC3c3cc(Br)cs3)nn2)ccc1N,DXGNQPLVWCGSQG-UHFFFAOYSA-N
rxn:1:57012:3803,Cc1cc(-c2cn(CCCc3ccc(Cl)s3)nn2)ccc1N,MAYPHPZOWPNLBF-UHFFFAOYSA-N
rxn:1:59847:14361,Cc1c(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)cnc2cccnc12,NXJHFFJABXGAHX-RHSMWYFYSA-N
rxn:1:59974:31526,CN[C@@H](C)Cn1cc(-c2cc(I)cc(I)c2)nn1,DLXDRHCBCNTGCQ-QMMMGPOBSA-N
rxn:1:59985:31161,O=C(c1cccc(Br)c1)c1cn([C@@H]2CC[C@H]2I)nn1,LCLMEYDHCRPXJH-ZYHUDNBSSA-N
rxn:1:61827:7094,CNCC(C)Cc1cn(-c2ccc(I)c(Br)c2)nn1,VGGVABFWBMUEPQ-UHFFFAOYSA-N
rxn:1:61827:8701,CC1(C)CNC1c1cn(-c2ccc(I)c(Br)c2)nn1,IUDRCZZJPTUEOG-UHFFFAOYSA-N
rxn:1:61872:7771,C[Si](C)(C)Cn1cc(-c2c[nH]c3c(Br)cccc23)nn1,AUOLBTLVSCEGAB-UHFFFAOYSA-N
rxn:1:62306:1881,CC(Cn1cc(-c2cnc3scnc3c2)nn1)C(F)F,NQYHXBIABHUAEQ-UHFFFAOYSA-N
rxn:1:62588:31469,Cc1ncc(-c2cn(C3CCCC3I)nn2)cc1N,VCIYLXLUCUIWBR-UHFFFAOYSA-N
rxn:1:65438:23539,Nc1c(-c2cn(Cc3ccc(I)c(Cl)c3)nn2)oc2nccnc12,PTIIOVMGOORNGE-UHFFFAOYSA-N
rxn:1:65661:31425,Cc1cc(N)c(-c2cn(CC=Cc3ccsc3)nn2)cn1,YOVFEIULYPMJRF-UHFFFAOYSA-N
rxn:1:65678:1825,Cc1cc(N)ncc1-c1cn(CC=Cc2ccsc2Cl)nn1,WRNIOFXJKIDWOO-UHFFFAOYSA-N
rxn:1:41711:24130,COC1(c2cn(-c3ccc(I)cc3Br)nn2)CCN(CC(F)F)C1,XJGMLLOGOYIEKT-UHFFFAOYSA-N
rxn:1:41711:28514,CNC1(c2cn(-c3ccc(I)cc3Br)nn2)CCCC1,XPXUREGEVWGRRT-UHFFFAOYSA-N
rxn:1:41834:39292,CSCc1cn(CC=Cc2c[nH]c3cc(Br)ccc23)nn1,ZXRKDHWESWDNPY-UHFFFAOYSA-N
rxn:1:41904:2762,Clc1cc(-c2cn(CC#Cc3ccsc3)nn2)c(Br)cn1,IICPBCQXYZKKJY-UHFFFAOYSA-N
rxn:1:41916:32384,Cc1cc(C#CCn2cc(-c3ccc(F)nn3)nn2)cs1,SCXMAWKMXNDBQV-UHFFFAOYSA-N
rxn:1:41917:31930,Cc1cncc(-c2cn(CC#Cc3ccsc3C)nn2)c1N,NWVJWLZWUDCIPM-UHFFFAOYSA-N
rxn:1:41918:8718,Cc1cc(-c2cn(-c3ccc(Cl)cc3I)nn2)cnc1N,WNEPZAGAGXWHOY-UHFFFAOYSA-N
rxn:1:41921:23275,Cc1cscc1C#CCn1cc(-c2cnc(F)c(N)c2)nn1,CJSQWTPAYCTVCP-UHFFFAOYSA-N
rxn:1:41924:31915,Nc1ncnc2[nH]nc(-c3cn(CC#Cc4ccc(Cl)s4)nn3)c12,QOPNFUUDJGXBLD-UHFFFAOYSA-N
rxn:1:42200:2983,Nc1cnc(Cl)c(C#CCn2cc(Cc3ccc(Br)s3)nn2)c1,RVIGYSAECBBNMR-UHFFFAOYSA-N
rxn:1:43628:20555,Nc1c(-c2cn(CC#Cc3ncc(Br)cn3)nn2)cnc(Cl)c1I,DXMSDDAAWKQEDF-UHFFFAOYSA-N
rxn:1:54964:3803,Cc1cc(-c2cn(CC3CC3c3sccc3Cl)nn2)ccc1N,YPIBKCWXKXVTOB-UHFFFAOYSA-N
rxn:1:54965:3803,Cc1cc(-c2cn(CC3CC3c3sccc3Br)nn2)ccc1N,ZOYAOHWFPHYWSO-UHFFFAOYSA-N
rxn:1:54992:1881,Brc1nc(C2CC2Cn2cc(-c3cnc4scnc4c3)nn2)cs1,PXIZDXPSYXQBRX-UHFFFAOYSA-N
rxn:1:54992:23539,Nc1c(-c2cn(CC3CC3c3csc(Br)n3)nn2)oc2nccnc12,OJNGLWXOLVUQPZ-UHFFFAOYSA-N
rxn:1:57011:3915,Oc1ncc(-c2cn(CCCc3cscc3Br)nn2)cc1F,AEARPWCBNHCGRJ-UHFFFAOYSA-N
rxn:1:57013:3803,Cc1cc(-c2cn(CCCc3ccc(Br)s3)nn2)ccc1N,OEKXULSGFZGXHD-UHFFFAOYSA-N
rxn:1:57548:2089,Cc1csc(-c2cn(CCCc3cnc(Cl)nc3N)nn2)c1,BLDHRCPWJHLSEY-UHFFFAOYSA-N
rxn:1:59915:1825,Cc1cc(N)ncc1-c1cn(Cc2sc(Br)cc2Br)nn1,RYBIPTPLUWXIGL-UHFFFAOYSA-N
rxn:1:59985:23525,Nc1c(-c2cn([C@@H]3CC[C@H]3I)nn2)oc2ncc(Br)cc12,OKJJDWFYYIQTNA-PSASIEDQSA-N
rxn:1:61827:23143,CCN1CC(c2cn(-c3ccc(I)c(Br)c3)nn2)C1,PMGMBSHNGQEYGP-UHFFFAOYSA-N
rxn:1:61827:28528,CC(CC1CNC1)c1cn(-c2ccc(I)c(Br)c2)nn1,IABJKFIFJLOOQT-UHFFFAOYSA-N
rxn:1:62588:1825,Cc1cc(N)ncc1-c1cn(C2CCCC2I)nn1,DKVQOBJBYJYBGT-UHFFFAOYSA-N
rxn:1:62588:31425,Cc1cc(N)c(-c2cn(C3CCCC3I)nn2)cn1,ZJWARPWANCWFHX-UHFFFAOYSA-N
rxn:1:62588:32044,Cc1cc(-c2cn(C3CCCC3I)nn2)ccc1CN,VQZCWORXCWIBLS-UHFFFAOYSA-N
rxn:1:62688:12267,CN1CCNCC1c1cn(-c2cc(I)cc(I)c2I)nn1,RZIIVEJLOGDTJO-UHFFFAOYSA-N
rxn:1:62688:23835,NC[C@@H]1CC[C@@H]1c1cn(-c2cc(I)cc(I)c2I)nn1,KPTYSDPSMCZUGE-CBAPKCEASA-N
rxn:1:62688:31235,Cc1nn(C)c(C(F)F)c1-c1cn(-c2cc(I)cc(I)c2I)nn1,VMJKFPHNAJWTBV-UHFFFAOYSA-N
rxn:1:62688:32177,O[C@@H]1CNC[C@H]1c1cn(-c2cc(I)cc(I)c2I)nn1,GHYZWLSFESRGTJ-WRWORJQWSA-N
rxn:1:62688:7252,CC(C)[C@H](N)c1cn(-c2cc(I)cc(I)c2I)nn1,KOWDIUDRKDUTLL-LBPRGKRZSA-N
rxn:1:62688:7759,CN1CCCC1(C)c1cn(-c2cc(I)cc(I)c2I)nn1,HBURNBUKFLOZPP-UHFFFAOYSA-N
rxn:1:65438:31930,Cc1cncc(-c2cn(Cc3ccc(I)c(Cl)c3)nn2)c1N,NCVNOFGSSOSKHP-UHFFFAOYSA-N
rxn:1:65661:39067,Cc1cc(-c2cn(CC=Cc3ccsc3)nn2)cc(C)n1,MHXWHQBGSQHILX-UHFFFAOYSA-N
rxn:1:65672:23539,Cc1cc(C=CCn2cc(-c3oc4nccnc4c3N)nn2)cs1,WLMCCNCCKXNQRI-UHFFFAOYSA-N
rxn:1:41458:31836,Cc1cc(C#N)ncc1-c1cn(-c2ccc(F)cc2Br)nn1,YHKDNZNZGYVRIL-UHFFFAOYSA-N
rxn:1:41711:2192,CCNC(C)Cc1cn(-c2ccc(I)cc2Br)nn1,ONFKNRFXSWFBSU-UHFFFAOYSA-N
rxn:1:41711:8718,Cc1cc(-c2cn(-c3ccc(I)cc3Br)nn2)cnc1N,RKBWEPZBOUWCKM-UHFFFAOYSA-N
rxn:1:41711:8833,NCc1ccccc1-c1cn(-c2ccc(I)cc2Br)nn1,OTOXKUAQMQIZBT-UHFFFAOYSA-N
rxn:1:41718:11742,NC[C@H]1C[C@H]1c1cn(-c2cc(Br)ccc2I)nn1,RQXYCRUXVOSGRH-VXNVDRBHSA-N
rxn:1:41904:2689,Fc1ncc(Cl)cc1-c1cn(CC#Cc2ccsc2)nn1,IRXJQPKMNUOMQF-UHFFFAOYSA-N
rxn:1:41907:2140,NC1(C(=O)c2cn(-c3ccc(I)cc3Cl)nn2)CC1,TYYDOSUEIWUTTA-UHFFFAOYSA-N
rxn:1:41919:31168,Cc1ccc(C#CCn2cc(-c3cc(N)c(C)cn3)nn2)s1,PIQLVPYLRXDIHZ-UHFFFAOYSA-N
rxn:1:41923:662,Clc1ccnc(-c2cn(CC#Cc3ccsc3Cl)nn2)c1,AFSHCFMXVIUJJG-UHFFFAOYSA-N
rxn:1:42060:8718,Cc1cc(-c2cn(CC#Cc3cccc(CS)c3)nn2)cnc1N,OOYUVERMPWDVNJ-UHFFFAOYSA-N
rxn:1:42360:2983,Nc1nc(Cl)ncc1C#CCn1cc(Cc2ccc(Br)s2)nn1,QPOIPNVAINRRGQ-UHFFFAOYSA-N
rxn:1:43719:31620,N[C@@H]1CCCC[C@H]1c1cn(-c2ccc(Cl)c(I)c2)nn1,DLHATVKEDRVOHH-ZWNOBZJWSA-N
rxn:1:43730:23085,Brc1ccc(-n2cc(C34CCC3CNC4)nn2)c(I)c1,CGJICXMHLYGTPY-UHFFFAOYSA-N
rxn:1:43781:39011,C(#Cc1ccsc1)CCn1cc(-c2cnc3cn[nH]c3c2)nn1,QSVYYHFCVGCNMH-UHFFFAOYSA-N
rxn:1:49432:23484,Nc1c(-c2cn(C3(CI)CCNC3)nn2)sc2ncc(Br)cc12,VDMNMSDWOIOAKX-UHFFFAOYSA-N
rxn:1:49432:31811,CC(N)c1ccc(-c2cn(C3(CI)CCNC3)nn2)cc1Cl,PDZGELIINIGHMV-UHFFFAOYSA-N
rxn:1:49432:388,Cc1ncc(-c2cn(C3(CI)CCNC3)nn2)c(C)c1Cl,YIUPVTCMDIGRGZ-UHFFFAOYSA-N
rxn:1:49432:6435,ICC1(n2cc(-c3cc(-c4cccs4)cs3)nn2)CCNC1,NMVWYJHPMHFOHZ-UHFFFAOYSA-N
rxn:1:49433:1829,Cc1cc(-c2cn(C3(CI)CNC3)nn2)ccc1OC(F)F,XYJZJVDHMFTTFR-UHFFFAOYSA-N
rxn:1:54961:3803,Cc1cc(-c2cn(CC3CC3c3ccc(Cl)s3)nn2)ccc1N,VZLTWKSHKOSYLW-UHFFFAOYSA-N
rxn:1:59856:7772,C[C@@H]1CNC[C@H]1n1cc(-c2c[nH]c3cc(Br)ccc23)nn1,PCRFCPHZVRMFSW-RFAUZJTJSA-N
rxn:1:59915:30483,CCn1cc(-c2cn(Cc3sc(Br)cc3Br)nn2)c(C)n1,OBMDVZNEHDZICQ-UHFFFAOYSA-N
rxn:1:59960:2912,N#Cc1ccc(-n2cc(-c3ccc(C4(N)CCC4)cc3)nn2)c(Br)c1,JEDISXPBESCVLV-UHFFFAOYSA-N
rxn:1:60677:20555,CCc1n[nH]cc1Cn1cc(-c2cnc(Cl)c(I)c2N)nn1,WCWREDXJNLWJMZ-UHFFFAOYSA-N
rxn:1:61827:257,Cn1ncnc1Cc1cn(-c2ccc(I)c(Br)c2)nn1,QQGSVZCHHVCPEM-UHFFFAOYSA-N
rxn:1:61827:31399,N[C@@H]1CCC[C@@H]1Cc1cn(-c2ccc(I)c(Br)c2)nn1,ILXBQGLTWORRQC-YMTOWFKASA-N
rxn:1:62688:31836,Cc1cc(C#N)ncc1-c1cn(-c2cc(I)cc(I)c2I)nn1,VLQTYOYGVVPCQI-UHFFFAOYSA-N
rxn:1:62688:39583,CCNC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CCC1,XDZGXZIOXKNAGL-UHFFFAOYSA-N
rxn:1:62688:8649,CN(C)C1(c2cn(-c3cc(I)cc(I)c3I)nn2)CNC1,RBSMJFMAYBTQSF-UHFFFAOYSA-N
rxn:1:40098:2983,Cc1cc(N)cnc1C=CCn1cc(Cc2ccc(Br)s2)nn1,QHIGVHNVNWZEKP-UHFFFAOYSA-N
rxn:1:40426:39089,Cc1cc(N)c(N)cc1C=CCn1cc(-c2ccc(Br)s2)nn1,OKYUKSFHJZCGLN-UHFFFAOYSA-N
rxn:1:41723:31836,Cc1cc(C#N)ncc1-c1cn(-c2ccc(F)cc2I)nn1,AQVQPPSKQSJOID-UHFFFAOYSA-N
rxn:1:41782:8718,Cc1cc(-c2cn(CC=Cc3cc(Br)c(Br)s3)nn2)cnc1N,URYHFIGHIRSENG-UHFFFAOYSA-N
rxn:1:41904:2047,N[C@H](CO)c1ccc(-c2cn(CC#Cc3ccsc3)nn2)cc1,JJZCMVORXWUDER-MRXNPFEDSA-N
rxn:1:41904:8678,Cc1cc(-c2cn(CC#Cc3ccsc3)nn2)cnc1C#N,USWABRITYLPLGI-UHFFFAOYSA-N
rxn:1:41921:20555,Cc1cscc1C#CCn1cc(-c2cnc(Cl)c(I)c2N)nn1,LQEPVRICUASPOV-UHFFFAOYSA-N
rxn:1:42845:2756,Cc1cc(Br)c(-c2cn(CC#Cc3n[nH]c4ncnc(N)c34)nn2)s1,YQISPGZTHCIAJC-UHFFFAOYSA-N
rxn:1:43626:340,Brc1cnc(C#CCn2cc(Cc3cccs3)nn2)cn1,RFTSDJQGCJBHGV-UHFFFAOYSA-N
rxn:1:43683:32044,Cc1cc(-c2cn(CC#Cc3cc(Cl)ncc3Br)nn2)ccc1CN,MCAGZTLKRGNDCM-UHFFFAOYSA-N
rxn:1:43710:37883,Nc1ncnc2[nH]cc(C#CCn3cc(-c4cc(Cl)sc4Cl)nn3)c12,QFIZGJZZZFZNFY-UHFFFAOYSA-N
rxn:1:43753:2927,CSCCc1cn(-c2cccc(C#CCN)c2)nn1,NZDNUTGZQBRXNF-UHFFFAOYSA-N
rxn:1:44530:2983,COc1cc(-n2cc(Cc3ccc(Br)s3)nn2)c(OC)nn1,PUHAOGWUYQDCJU-UHFFFAOYSA-N
rxn:1:49432:23585,Nc1c(-c2cn(C3(CI)CCNC3)nn2)sc2ncc(F)cc12,HQQQFNUVNNVJAV-UHFFFAOYSA-N
rxn:1:49432:6438,ICC1(n2cc(-c3cc(-c4ccsc4)cs3)nn2)CCNC1,GEJQNRIEHFSUIW-UHFFFAOYSA-N
rxn:1:55948:31195,ICCn1cc(-c2ccc3c(c2)CNC3)nn1,NISMGYWPQMRWQG-UHFFFAOYSA-N
rxn:1:55948:32261,COc1cc(-c2cn(CCI)nn2)cnc1C(F)(F)F,IHXAJYOLEMARNV-UHFFFAOYSA-N
rxn:1:57011:37737,Clc1ccc2c(-c3cn(CCCc4cscc4Br)nn3)c[nH]c2n1,AQUXOVWQXDYWIP-UHFFFAOYSA-N
rxn:1:59854:23584,C[C@@H]1[C@@H](Cn2cc(-c3oc4ncc(Cl)cc4c3N)nn2)C1(F)F,QPJFXYIEPPPXTK-HZGVNTEJSA-N
rxn:1:61827:2051,C[C@H](N)c1ccc(-c2cn(-c3ccc(I)c(Br)c3)nn2)cc1,MCJFMDSHPKOTEK-JTQLQIEISA-N
rxn:1:62588:11890,O=Cc1ccc(-c2cn(C3CCCC3I)nn2)s1,YSSJRWBBXPSBSW-UHFFFAOYSA-N
rxn:1:62588:31337,CC(C)c1cc(-c2cn(C3CCCC3I)nn2)ccn1,UYAKCRNEMREDNA-UHFFFAOYSA-N
rxn:1:62588:31838,COc1cc(-c2cn(C3CCCC3I)nn2)cnc1C#N,HVVXXWKSVSXPTK-UHFFFAOYSA-N
rxn:1:62588:37877,Cc1c(F)ccc(-c2cn(C3CCCC3I)nn2)c1C,YNXNYSSMWSKZCD-UHFFFAOYSA-N
rxn:1:62688:2093,CN1CCCC1c1cn(-c2cc(I)cc(I)c2I)nn1,BSYNBKNTXICBAU-UHFFFAOYSA-N
rxn:1:63670:388,Cc1ncc(-c2cn(Cc3ccc(Br)s3)nn2)c(C)c1Cl,RSCUWCNJVUBBTE-UHFFFAOYSA-N
rxn:1:63757:2672,NCC=Cc1cccc(-c2cn(Cc3ccc(Cl)s3)nn2)c1,QMZJWPRJASZIPL-UHFFFAOYSA-N
rxn:1:65438:31524,Nc1c(F)cncc1-c1cn(Cc2ccc(I)c(Cl)c2)nn1,HGJGPBFJSOKTCE-UHFFFAOYSA-N
rxn:1:65438:31957,Nc1cc(F)ncc1-c1cn(Cc2ccc(I)c(Cl)c2)nn1,PYXHBVXWZBIHFP-UHFFFAOYSA-N
rxn:1:39929:2983,Cc1n[nH]c(N)c1C=CCn1cc(Cc2ccc(Br)s2)nn1,JVEUVPIMFZCOJA-UHFFFAOYSA-N
rxn:1:41711:2009,NCC(=O)OCc1cn(-c2ccc(I)cc2Br)nn1,UDNOYINTSJVCRW-UHFFFAOYSA-N
rxn:1:41907:31930,Cc1cncc(-c2cn(-c3ccc(I)cc3Cl)nn2)c1N,PKWUDPLEGMCPKT-UHFFFAOYSA-N
rxn:1:41916:39019,Cc1cc(C#CCn2cc(-c3cncc4[nH]ncc34)nn2)cs1,VVSVVYLJZVLWQP-UHFFFAOYSA-N
rxn:1:41917:2610,COc1cc(-c2cn(CC#Cc3ccsc3C)nn2)ccc1O,DYXWGWJVOIQFKN-UHFFFAOYSA-N
rxn:1:41917:31333,Cc1cc(N)cnc1-c1cn(CC#Cc2ccsc2C)nn1,KYERPEPLPVGRIB-UHFFFAOYSA-N
rxn:1:41918:23085,Clc1ccc(-n2cc(C34CCC3CNC4)nn2)c(I)c1,JGTZMQFHQSSACS-UHFFFAOYSA-N
rxn:1:41982:2983,Nc1cncc(C#CCn2cc(Cc3ccc(Br)s3)nn2)c1,ZUKRBLHDSIIJPW-UHFFFAOYSA-N
rxn:1:43719:2093,CN1CCCC1c1cn(-c2ccc(Cl)c(I)c2)nn1,WOSUKWAGBUFFQJ-UHFFFAOYSA-N
rxn:1:43719:23838,NC[C@@H]1CC[C@H]1c1cn(-c2ccc(Cl)c(I)c2)nn1,DIMZQZAZEQHMHZ-WCBMZHEXSA-N
rxn:1:43730:23839,Brc1ccc(-n2cc(C3NCC4CCC43)nn2)c(I)c1,QEYNOEPQUSKHOQ-UHFFFAOYSA-N
rxn:1:48960:37717,Cc1n[nH]c2ncc(-c3cn(CC(O)c4csc(Cl)c4)nn3)cc12,FGUKUQXPYMWNNE-UHFFFAOYSA-N
rxn:1:49068:23539,Nc1c(-c2cn(C[C@@H](O)c3csc(Cl)c3)nn2)oc2nccnc12,PBZAQMDWHKELBC-SECBINFHSA-N
rxn:1:49432:22938,CCc1ccnc(-c2cn(C3(CI)CCNC3)nn2)c1,RLNQDSCODYVHHD-UHFFFAOYSA-N
rxn:1:49432:23483,Nc1c(-c2cn(C3(CI)CCNC3)nn2)oc2ccccc12,SUAKHZFGXMTACG-UHFFFAOYSA-N
rxn:1:49432:31699,CSc1c(Cl)ccc(Br)c1-c1cn(C2(CI)CCNC2)nn1,HUYTZMQNIOPHHP-UHFFFAOYSA-N
rxn:1:57011:27779,Cc1nc(-c2cn(CCCc3cscc3Br)nn2)nc2[nH]cnc12,RBIUXKXVMCDCHH-UHFFFAOYSA-N
rxn:1:57011:38646,Nc1ccnc(-c2cn(CCCc3cscc3Br)nn2)c1,OUVPADONVCKNOA-UHFFFAOYSA-N
rxn:1:57036:8718,Cc1cc(-c2cn(CCCc3cc(Br)c[nH]3)nn2)cnc1N,GGHYZSLCHFVCDG-UHFFFAOYSA-N
rxn:1:59945:1881,COc1ccc(-n2cc(-c3cnc4scnc4c3)nn2)cc1C,OIGFTHNQSWVAGB-UHFFFAOYSA-N
rxn:1:61533:5862,Nc1ccnc2ccc(-c3cn(Cc4csc(Cl)n4)nn3)cc12,OSAZKQZQSLDEID-UHFFFAOYSA-N
rxn:1:61827:11935,CC(O)C(C)Cc1cn(-c2ccc(I)c(Br)c2)nn1,GTVFXQLEPSISNP-UHFFFAOYSA-N
rxn:1:61827:23835,NC[C@@H]1CC[C@@H]1c1cn(-c2ccc(I)c(Br)c2)nn1,OLGTUMSKHRYJJJ-WPRPVWTQSA-N
rxn:1:61827:31723,COC1CC(N)(c2cn(-c3ccc(I)c(Br)c3)nn2)C1,CDTPYJLVJBAMSQ-UHFFFAOYSA-N
rxn:1:62688:8553,C[Si](C)(CCCN)c1cn(-c2cc(I)cc(I)c2I)nn1,NWFYOUXUSWTTAG-UHFFFAOYSA-N
rxn:1:64791:1825,Cc1cc(N)ncc1-c1cn(-c2cc(Br)ccc2O)nn1,RELMSTQNGAZCAF-UHFFFAOYSA-N
rxn:1:64791:31333,Cc1cc(N)cnc1-c1cn(-c2cc(Br)ccc2O)nn1,LTCYROHUGCOYLD-UHFFFAOYSA-N
rxn:1:41458:31063,NCC1CCC(c2cn(-c3ccc(F)cc3Br)nn2)CC1,IVIMMZPKUPQVLL-UHFFFAOYSA-N
rxn:1:41745:23085,Clc1ccc(-n2cc(C34CCC3CNC4)nn2)cc1Br,JZIIAPDLMWGESD-UHFFFAOYSA-N
rxn:1:41905:1858,C(#Cc1cccs1)Cn1cc(-c2cnc3cccnc3c2)nn1,ZKZGCVVMERNBAP-UHFFFAOYSA-N
rxn:1:42234:1308,Fc1cc(-c2cn(CC#Cc3cnc(Cl)nc3Cl)nn2)ccc1Cl,YTYLOIWJZZQPCS-UHFFFAOYSA-N
rxn:1:42360:2756,Cc1cc(Br)c(-c2cn(CC#Cc3cnc(Cl)nc3N)nn2)s1,OSDCVYGNUWOYRY-UHFFFAOYSA-N
rxn:1:42773:2756,Cc1cc(Br)c(-c2cn(CC#Cc3cnc4[nH]ncc4c3)nn2)s1,NPZKLZPAVQHNRS-UHFFFAOYSA-N
rxn:1:43710:39550,Nc1ncnc2[nH]cc(C#CCn3cc(-c4cc(Br)co4)nn3)c12,XHKUZIQQJVPBKN-UHFFFAOYSA-N
rxn:1:43719:3210,O=C(CNC1CC1)c1cn(-c2ccc(Cl)c(I)c2)nn1,LDSMGWFOYNSTNZ-UHFFFAOYSA-N
rxn:1:43719:3949,N[C@H]1CC[C@H](c2cn(-c3ccc(Cl)c(I)c3)nn2)CC1,SAXTZIRRAISHRF-MGCOHNPYSA-N
rxn:1:49432:1920,CSc1ncnc2c(-c3cn(C4(CI)CCNC4)nn3)csc12,DJEYCHRAVNCPGV-UHFFFAOYSA-N
rxn:1:49432:3803,Cc1cc(-c2cn(C3(CI)CCNC3)nn2)ccc1N,IYBXPVHRSRQORN-UHFFFAOYSA-N
rxn:1:57011:23656,Brc1cscc1CCCn1cc(-c2c[nH]c3ncncc23)nn1,GFUANGYWOHPHNT-UHFFFAOYSA-N
rxn:1:57011:31425,Cc1cc(N)c(-c2cn(CCCc3cscc3Br)nn2)cn1,FDKCTFJEDVMSQU-UHFFFAOYSA-N
rxn:1:57011:39105,Brc1cscc1CCCn1cc(-c2cnc3[nH]ccc3c2)nn1,BSPYOWVSWUESMC-UHFFFAOYSA-N
rxn:1:57012:31279,Nc1c(-c2cn(CCCc3ccc(Cl)s3)nn2)cnc(Cl)c1F,JBQGCIZEVPYSAP-UHFFFAOYSA-N
rxn:1:57015:3803,Cc1cc(-c2cn(CCCc3sccc3Cl)nn2)ccc1N,LQIDIGCKVVXGFY-UHFFFAOYSA-N
rxn:1:57070:20555,Nc1c(-c2cn(CCCc3ccsc3C=O)nn2)cnc(Cl)c1I,JHZJFWCFTLOHAQ-UHFFFAOYSA-N
rxn:1:62535:3659,Cc1cc(-n2cc(C3(C)CCNC3)nn2)cnc1Cl,RZWCRPOKALKVHX-UHFFFAOYSA-N
rxn:1:62588:23446,CC(C)c1ccc(-c2cn(C3CCCC3I)nn2)c(Cl)n1,JKPHXKQWWSGGTK-UHFFFAOYSA-N
rxn:1:62588:2672,NCC=Cc1cccc(-c2cn(C3CCCC3I)nn2)c1,RWUGXLVHPQVHGO-UHFFFAOYSA-N
rxn:1:62688:11848,NC1CCC(c2cn(-c3cc(I)cc(I)c3I)nn2)CC1,MNHLYBUZPPEJQB-UHFFFAOYSA-N
rxn:1:62688:31454,Nc1nc(Cl)ncc1-c1cn(-c2cc(I)cc(I)c2I)nn1,GWWLCWDZGXBSTM-UHFFFAOYSA-N
rxn:1:62688:39286,NC(c1cn(-c2cc(I)cc(I)c2I)nn1)C1CCCO1,FFAPLTWCZFOIAB-UHFFFAOYSA-N
rxn:1:62688:7096,N[C@H]1CC[C@@H](c2cn(-c3cc(I)cc(I)c3I)nn2)C1,ZAJTXXMNDXCOMZ-APPZFPTMSA-N
rxn:1:64168:31957,Cc1cc(Br)ccc1-n1cc(-c2cnc(F)cc2N)nn1,VVBIGCKWHCNBEX-UHFFFAOYSA-N
rxn:1:64748:20555,Cc1c(F)cccc1-n1cc(-c2cnc(Cl)c(I)c2N)nn1,UFLUAFRKGDUMBG-UHFFFAOYSA-N
rxn:1:65673:38802,Cc1sccc1C=CCn1cc(-c2ccc(N)cn2)nn1,WKZPMHDSLIXVRL-UHFFFAOYSA-N
rxn:1:41711:2912,NC1(c2ccc(-c3cn(-c4ccc(I)cc4Br)nn3)cc2)CCC1,DGPOAZDTYUFICS-UHFFFAOYSA-N
rxn:1:41718:39373,CC(N)Cc1cn(-c2cc(Br)ccc2I)nn1,YXRADYGMSGRADC-UHFFFAOYSA-N
rxn:1:41745:11720,CC(C)(CN)Cc1cn(-c2ccc(Cl)c(Br)c2)nn1,ZHGNPFAGFWOSAH-UHFFFAOYSA-N
rxn:1:41865:27778,Cc1nc(-c2cn(CC=Cc3ccc(I)o3)nn2)nc(N)c1N,FSFPNRBKOSITSI-UHFFFAOYSA-N
rxn:1:41918:23839,Clc1ccc(-n2cc(C3NCC4CCC43)nn2)c(I)c1,XRCDLUZLPGSPCQ-UHFFFAOYSA-N
rxn:1:41924:24035,CCc1cc(-c2cn(CC#Cc3ccc(Cl)s3)nn2)ccc1N,AEONKMPWJGTUIH-UHFFFAOYSA-N
rxn:1:42412:2912,NC1(c2ccc(-c3cn(CCCCBr)nn3)cc2)CCC1,PLCSGJBZEFKQFV-UHFFFAOYSA-N
rxn:1:42845:1155,Nc1ncnc2[nH]nc(C#CCn3cc(-c4cc(Br)c(Br)s4)nn3)c12,KHORURGELSVGLI-UHFFFAOYSA-N
rxn:1:43247:35342,Nc1c(F)cc([N+](=O)[O-])cc1C#CCn1cc(-c2ccc(Cl)s2)nn1,UNAOMYCEQVWPFC-UHFFFAOYSA-N
rxn:1:43623:8718,Cc1cc(-c2cn(CC#Cc3cccc(Br)c3)nn2)cnc1N,ULYVTMVTQTXHPT-UHFFFAOYSA-N
rxn:1:43719:3046,Clc1ccc(-n2cc(CCc3ncc(Br)s3)nn2)cc1I,MJBPJUVGPOZGMZ-UHFFFAOYSA-N
rxn:1:43730:31235,Cc1nn(C)c(C(F)F)c1-c1cn(-c2ccc(Br)cc2I)nn1,LQQVCGKXIIKCGI-UHFFFAOYSA-N
rxn:1:48903:2788,Cc1ccncc1-n1cc(-c2cc(Br)cc(Br)c2O)nn1,WOKYCRDTDCUYJV-UHFFFAOYSA-N
rxn:1:49432:28642,NC1CCc2cc(-c3cn(C4(CI)CCNC4)nn3)ccc21,GEGLJDNYFYVFHO-UHFFFAOYSA-N
rxn:1:49432:31476,CCc1cc(-c2cn(C3(CI)CCNC3)nn2)ccn1,XGHBSJCOVKURNX-UHFFFAOYSA-N
rxn:1:49432:32170,Cc1cc(N)c(-c2cn(C3(CI)CCNC3)nn2)cc1Cl,GFXOXYLGYSEXHY-UHFFFAOYSA-N
rxn:1:53095:37233,Cc1nc(O)ccc1-c1ccc(-c2cn(CCCBr)nn2)cc1,HOGPFTLTAOOUGA-UHFFFAOYSA-N
rxn:1:54960:37717,Cc1n[nH]c2ncc(-c3cn(CC4CC4c4cscc4Br)nn3)cc12,ASYAECFWYHMSFH-UHFFFAOYSA-N
rxn:1:57013:39020,Brc1ccc(CCCn2cc(-c3ccc4cn[nH]c4n3)nn2)s1,QYNOWVVEVXLZSA-UHFFFAOYSA-N
rxn:1:61827:31425,Cc1cc(N)c(-c2cn(-c3ccc(I)c(Br)c3)nn2)cn1,IZPCFEREFWKVEK-UHFFFAOYSA-N
rxn:1:61827:31786,NC(CCO)c1cn(-c2ccc(I)c(Br)c2)nn1,UYZCTUHUYRIURI-UHFFFAOYSA-N
rxn:1:61827:38412,CC(C)NCc1cn(-c2ccc(I)c(Br)c2)nn1,MRDOMDGPEKPKDS-UHFFFAOYSA-N
rxn:1:62588:14101,CNc1cnc(C)c(-c2cn(C3CCCC3I)nn2)c1,ZOGCAWJCEWKVLI-UHFFFAOYSA-N
rxn:1:65661:1664,Cc1cc(-c2cn(CC=Cc3ccsc3)nn2)cc(C)c1N,GUCBMUNFWQDMHC-UHFFFAOYSA-N
rxn:1:65673:38748,COc1nc(-c2cn(CC=Cc3ccsc3C)nn2)ncc1Cl,ORSMZINBCDBPOA-UHFFFAOYSA-N
rxn:1:65677:31168,Cc1cnc(-c2cn(CC=Cc3cscc3C)nn2)cc1N,LCBVFAXPTLHYCK-UHFFFAOYSA-N
rxn:1:41711:2527,COC(=N)c1ccc(-c2cn(-c3ccc(I)cc3Br)nn2)cn1,SGNFHYANLQAERA-UHFFFAOYSA-N
rxn:1:41711:31620,N[C@@H]1CCCC[C@H]1c1cn(-c2ccc(I)cc2Br)nn1,RWGSNBXBJAVPAJ-ZYHUDNBSSA-N
rxn:1:41711:7086,N[C@@H]1CCCC[C@@H]1c1cn(-c2ccc(I)cc2Br)nn1,RWGSNBXBJAVPAJ-CMPLNLGQSA-N
rxn:1:41918:23720,CN1CC2CC2(c2cn(-c3ccc(Cl)cc3I)nn2)C1,ZZXKJNDDKSVQSK-UHFFFAOYSA-N
rxn:1:41967:37717,Cc1n[nH]c2ncc(-c3cn(CC#Cc4cscc4C=O)nn3)cc12,CSLIJIRLCZODBM-UHFFFAOYSA-N
rxn:1:42845:1429,Cc1sc(-c2cn(CC#Cc3n[nH]c4ncnc(N)c34)nn2)cc1Br,WSSRCQUIMHHOCH-UHFFFAOYSA-N
rxn:1:42975:39550,N#CSc1ccc(N)c(C#CCn2cc(-c3cc(Br)co3)nn2)c1,NBLXHUPNBDTIEV-UHFFFAOYSA-N
rxn:1:43730:31509,OCc1cncc(-c2cn(-c3ccc(Br)cc3I)nn2)c1,RZZBQRVMGRHXOX-UHFFFAOYSA-N
rxn:1:43753:7112,CC(CCBr)c1cn(-c2cccc(C#CCN)c2)nn1,DPDZQZNMLRUFPI-UHFFFAOYSA-N
rxn:1:43785:20555,Nc1c(-c2cn(CCC#Cc3cn[nH]c3)nn2)cnc(Cl)c1I,GKMBLLWDYQEHOW-UHFFFAOYSA-N
rxn:1:44423:39550,COc1cc(C#CCCn2cc(-c3cc(Br)co3)nn2)cnc1N,CDQKATBCCAQCNV-UHFFFAOYSA-N
rxn:1:49585:27805,CSCCn1cc(-c2ccc3ncc(C)c(O)c3c2)nn1,NEEGJOGLPIENMA-UHFFFAOYSA-N
rxn:1:54992:27779,Cc1nc(-c2cn(CC3CC3c3csc(Br)n3)nn2)nc2[nH]cnc12,UZWQBUPAYFXILN-UHFFFAOYSA-N
rxn:1:55948:37717,Cc1n[nH]c2ncc(-c3cn(CCI)nn3)cc12,CWCSVOVXZBXRQX-UHFFFAOYSA-N
rxn:1:55948:7372,Cc1cc(Cl)ccc1OCc1cn(CCI)nn1,VPMFPACKSRWWOS-UHFFFAOYSA-N
rxn:1:57013:39015,Brc1ccc(CCCn2cc(-c3cc4[nH]ncc4cn3)nn2)s1,MYJQLZDGZQSIGF-UHFFFAOYSA-N
rxn:1:62588:17611,CC(O)n1nc(-c2cn(C3CCCC3I)nn2)cc1C1CC1,FKAYTSWCCSXNPE-UHFFFAOYSA-N
rxn:1:62588:3114,COc1cc(Cl)cc(-c2cn(C3CCCC3I)nn2)c1O,HMMRPMMKGKYUQE-UHFFFAOYSA-N
rxn:1:62688:23656,Ic1cc(I)c(I)c(-n2cc(-c3c[nH]c4ncncc34)nn2)c1,ZPZFORBCZDGJRZ-UHFFFAOYSA-N
rxn:1:62688:7346,Cc1nc(N)ccc1-c1cn(-c2cc(I)cc(I)c2I)nn1,DHAXOYUBTIXKKK-UHFFFAOYSA-N
rxn:1:64791:31836,Cc1cc(C#N)ncc1-c1cn(-c2cc(Br)ccc2O)nn1,RZGPXIPABHUQAM-UHFFFAOYSA-N
rxn:1:65672:31168,Cc1cc(C=CCn2cc(-c3cc(N)c(C)cn3)nn2)cs1,KLBNHHQZPRZUNK-UHFFFAOYSA-N
rxn:1:65677:38802,Cc1cscc1C=CCn1cc(-c2ccc(N)cn2)nn1,AAVWYARMOXLBFV-UHFFFAOYSA-N
rxn:1:65678:31895,COc1cc(C)c(-c2cn(CC=Cc3ccsc3Cl)nn2)cn1,ROOBGHIBGQUEHA-UHFFFAOYSA-N
rxn:1:40067:2983,Nc1cc(C=CCn2cc(Cc3ccc(Br)s3)nn2)cnc1Cl,XTPFSHFEHZCWOY-UHFFFAOYSA-N
rxn:1:41718:11723,Cn1cc(-c2cn(-c3cc(Br)ccc3I)nn2)c(CN)n1,FMXUSMLOEHLGLA-UHFFFAOYSA-N
rxn:1:41718:11741,NCC1CC1c1cn(-c2cc(Br)ccc2I)nn1,RQXYCRUXVOSGRH-UHFFFAOYSA-N
rxn:1:41718:28683,OC1CNC(c2cn(-c3cc(Br)ccc3I)nn2)C1,SGHOFLSBLMFKHP-UHFFFAOYSA-N
rxn:1:41718:37700,N[C@H]1C=C(c2cn(-c3cc(Br)ccc3I)nn2)CC1,VWDGOHIYFBXDEH-SNVBAGLBSA-N
rxn:1:41745:12166,COC1(c2cn(-c3ccc(Cl)c(Br)c3)nn2)CCNC1,MZGOFGPTGRQTFC-UHFFFAOYSA-N
rxn:1:41836:11724,NC[C@H]1CC[C@H](c2cn(-c3cc(F)ccc3Br)nn2)CC1,JVCMVUIQHJGFBH-XYPYZODXSA-N
rxn:1:41876:2756,Cc1cc(Br)c(-c2cn(-c3cccc(C=CCN)c3)nn2)s1,ZCRBTHREQOBGQY-UHFFFAOYSA-N
rxn:1:41904:39073,Nc1cc(Cl)cnc1-c1cn(CC#Cc2ccsc2)nn1,BRMOTWCLVNUBTO-UHFFFAOYSA-N
rxn:1:41907:31180,NCc1ccncc1-c1cn(-c2ccc(I)cc2Cl)nn1,ZLFIHXQCDDUVKS-UHFFFAOYSA-N
rxn:1:41917:38682,Cc1sccc1C#CCn1cc(-c2cnc3nc[nH]c3c2)nn1,MSACEEHHSDPLJW-UHFFFAOYSA-N
rxn:1:41923:2995,Clc1cncc(Cl)c1-c1cn(CC#Cc2ccsc2Cl)nn1,HUUVUQMZHAXPGT-UHFFFAOYSA-N
rxn:1:49585:31811,CSCCn1cc(-c2ccc(C(C)N)c(Cl)c2)nn1,BVLMBAQCWMSGTK-UHFFFAOYSA-N
rxn:1:53095:36849,Cc1ncc(O)cc1-c1ccc(-c2cn(CCCBr)nn2)cc1,VZEFDKOJLNXVSJ-UHFFFAOYSA-N
rxn:1:55948:31895,COc1cc(C)c(-c2cn(CCI)nn2)cn1,PCKZJOHMSXFODX-UHFFFAOYSA-N
rxn:1:57011:1853,Nc1ncc(-c2cn(CCCc3cscc3Br)nn2)cc1Br,NRWCXNGTDRWKCS-UHFFFAOYSA-N
rxn:1:57043:8718,Cc1cc(-c2cn(CCCc3csc(Br)n3)nn2)cnc1N,FTFPSXFSVDEGRZ-UHFFFAOYSA-N
rxn:1:58716:27779,Cc1nc(-c2cn(CCCCc3csc(Br)n3)nn2)nc2[nH]cnc12,MSWOLJJOIHTVET-UHFFFAOYSA-N
rxn:1:59847:31002,Cc1cnc(N)c(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)c1Br,DZUATGXHQGGMSO-ZYHUDNBSSA-N
rxn:1:59847:38154,Cc1cc(O)c(I)c(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)c1,PDSKBFMXJNRSGJ-TZMCWYRMSA-N
rxn:1:59847:578,Cc1cnc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)c(N)c1,BOZGEBRXWAOCMO-BXUZGUMPSA-N
rxn:1:59985:105,Cc1nc2sc(-c3cn([C@@H]4CC[C@H]4I)nn3)c(N)c2c(C)c1C,GRUOBOSDLBMGOU-ZYHUDNBSSA-N
rxn:1:59985:31372,CNCCc1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1Cl,JVMKVKRYOQGSAP-UKRRQHHQSA-N
rxn:1:59985:38904,Oc1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1O,HQEIMIPJHUZXEP-PSASIEDQSA-N
rxn:1:61780:31588,Cc1nc(C#N)ccc1-c1cn(-c2ccc(F)c(F)c2Br)nn1,WWSGUUVRPOMGHY-UHFFFAOYSA-N
rxn:1:62588:32045,N[C@H]1CCOc2cc(-c3cn(C4CCCC4I)nn3)ccc21,XFWYTZYVSOMTAE-OWYJLGKBSA-N
rxn:1:62688:787,CN1CCC(c2cn(-c3cc(I)cc(I)c3I)nn2)CC1,KFYHNKJVFXKQDE-UHFFFAOYSA-N
rxn:1:41710:3947,Cc1nc(Cl)nc(N)c1-c1cn(CC=Cc2ccc(I)cc2)nn1,WUSSZGZZCMBEID-UHFFFAOYSA-N
rxn:1:41711:2228,NC(c1cn(-c2ccc(I)cc2Br)nn1)C1CCC1,JKQVHGUPEGSMMK-UHFFFAOYSA-N
rxn:1:41718:12269,O=Cc1cncc(-c2cn(-c3cc(Br)ccc3I)nn2)c1,ICNYMAFSRLDXMA-UHFFFAOYSA-N
rxn:1:41718:38692,Nc1cc(-c2cn(-c3cc(Br)ccc3I)nn2)ccn1,IPGVFDCGPMTVHG-UHFFFAOYSA-N
rxn:1:41923:11984,NCCc1ccc(-c2cn(CC#Cc3ccsc3Cl)nn2)cc1,QMAQSUQYUBTETG-UHFFFAOYSA-N
rxn:1:41923:31520,Nc1c(Cl)cncc1-c1cn(CC#Cc2ccsc2Cl)nn1,XJUBAMIBHXNYNJ-UHFFFAOYSA-N
rxn:1:43719:7755,CC1(c2cn(-c3ccc(Cl)c(I)c3)nn2)CCCN1,NRJZDDUAFWVCAG-UHFFFAOYSA-N
rxn:1:43753:288,COc1cc(-c2cn(-c3cccc(C#CCN)c3)nn2)cs1,IWUCZISYIFVWSN-UHFFFAOYSA-N
rxn:1:49432:27779,Cc1nc(-c2cn(C3(CI)CCNC3)nn2)nc2[nH]cnc12,DMGOKOSZJBBJRA-UHFFFAOYSA-N
rxn:1:55948:246,ICCn1cc(-c2cncc(OCC3CCC3)c2)nn1,OQTWRTJQRCRFGL-UHFFFAOYSA-N
rxn:1:57014:20555,Nc1c(-c2cn(CCCc3cc(Br)cs3)nn2)cnc(Cl)c1I,RALVFGHJUTYPPV-UHFFFAOYSA-N
rxn:1:57043:1881,Brc1nc(CCCn2cc(-c3cnc4scnc4c3)nn2)cs1,MCOGJNXYNTYJFX-UHFFFAOYSA-N
rxn:1:57043:27779,Cc1nc(-c2cn(CCCc3csc(Br)n3)nn2)nc2[nH]cnc12,VSYIBPAFUMVYEI-UHFFFAOYSA-N
rxn:1:59847:31224,Cc1nc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)ccc1N,JDWVRJWYMJHNCB-IAQYHMDHSA-N
rxn:1:59985:1730,I[C@@H]1CC[C@H]1n1cc(-c2ccc(C3CCCN3)cc2)nn1,GMQFFLKWXZASDM-XRZAVGITSA-N
rxn:1:61827:31620,N[C@@H]1CCCC[C@H]1c1cn(-c2ccc(I)c(Br)c2)nn1,IIQIFFCXOSYLPZ-ZWNOBZJWSA-N
rxn:1:61827:37780,NCc1ccc(F)cc1-c1cn(-c2ccc(I)c(Br)c2)nn1,OFLBKVWFMXTLOW-UHFFFAOYSA-N
rxn:1:61827:665,NC1CCCCC1c1cn(-c2ccc(I)c(Br)c2)nn1,IIQIFFCXOSYLPZ-UHFFFAOYSA-N
rxn:1:61827:8793,NCCOCc1cn(-c2ccc(I)c(Br)c2)nn1,XTIYUZSIQUYIFA-UHFFFAOYSA-N
rxn:1:62688:1826,CCc1cc(N)ncc1-c1cn(-c2cc(I)cc(I)c2I)nn1,GDWPTPZNBQZTKM-UHFFFAOYSA-N
rxn:1:62688:2061,NC1(C(=O)c2cn(-c3cc(I)cc(I)c3I)nn2)CCC1,JGJLKDYCYIDSLU-UHFFFAOYSA-N
rxn:1:62688:30475,CCn1ncc(-c2cn(-c3cc(I)cc(I)c3I)nn2)c1C,NVLBWKDZGRFLLY-UHFFFAOYSA-N
rxn:1:63757:47,N#Cc1cnn(Cc2cn(Cc3ccc(Cl)s3)nn2)c1Br,BGKHLQOCOFQTBN-UHFFFAOYSA-N
rxn:1:65661:31168,Cc1cnc(-c2cn(CC=Cc3ccsc3)nn2)cc1N,RHOZDANQCYOJCQ-UHFFFAOYSA-N
rxn:1:65673:39923,Cc1sccc1C=CCn1cc(-c2ccc(N)nn2)nn1,WADYYDUPRJFOIP-UHFFFAOYSA-N
rxn:1:65678:3808,COc1nc(-c2cn(CC=Cc3ccsc3Cl)nn2)ncc1C,GICSNRVVGQCNKG-UHFFFAOYSA-N
rxn:1:41711:491,Cc1cnc(-c2cn(-c3ccc(I)cc3Br)nn2)c(C)n1,XARSBZLZAFKCMR-UHFFFAOYSA-N
rxn:1:41718:11740,CC(CN)c1cn(-c2cc(Br)ccc2I)nn1,XOFSIHWRZHMKAZ-UHFFFAOYSA-N
rxn:1:41718:11880,NC12CC(c3cn(-c4cc(Br)ccc4I)nn3)(C1)C2,XUKHWDDMSWLXNB-UHFFFAOYSA-N
rxn:1:41921:37717,Cc1cscc1C#CCn1cc(-c2cnc3[nH]nc(C)c3c2)nn1,ZRINGIGXERDIDM-UHFFFAOYSA-N
rxn:1:41923:39014,Clc1sccc1C#CCn1cc(-c2cncc3cn[nH]c23)nn1,FYOPRBAQARJSFY-UHFFFAOYSA-N
rxn:1:43680:38390,Nc1nccnc1-c1cn(CC#Cc2cc(Br)cnc2Cl)nn1,MMGCGDUTVJWFBF-UHFFFAOYSA-N
rxn:1:43719:12246,Cc1ccnc(-c2cn(-c3ccc(Cl)c(I)c3)nn2)c1N,FGSXRMOKHYGAQD-UHFFFAOYSA-N
rxn:1:49432:12244,Brc1ccc(I)c(OCc2cn(C3(CI)CCNC3)nn2)c1,WRXZDIIRLUHIPA-UHFFFAOYSA-N
rxn:1:55948:32494,C[C@H](N)c1ccc(-c2cn(CCI)nn2)cc1Cl,QFKXQTFEOGZWBR-QMMMGPOBSA-N
rxn:1:57011:23539,Nc1c(-c2cn(CCCc3cscc3Br)nn2)oc2nccnc12,MRXLYQVGHWQPAK-UHFFFAOYSA-N
rxn:1:57011:37864,NCc1cc(-c2cn(CCCc3cscc3Br)nn2)ccc1F,HESWGNHMWYXGKC-UHFFFAOYSA-N
rxn:1:59847:2896,Cc1ccc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)cc1O,FRTYJUYOEHKIGU-UKRRQHHQSA-N
rxn:1:59847:31168,Cc1cnc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)cc1N,CCINKUODVZULNH-IAQYHMDHSA-N
rxn:1:59847:32302,CCc1nc(Br)cc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)n1,WLXHQMAZKPFYRF-ZWNOBZJWSA-N
rxn:1:59915:28931,NCCCc1ccc(-c2cn(Cc3sc(Br)cc3Br)nn2)cc1,SYQXUPXVCAZJII-UHFFFAOYSA-N
rxn:1:59986:31836,Cc1cc(C#N)ncc1-c1cn(-c2c(Br)cc(Cl)cc2Br)nn1,RRBCNUYXCABKLH-UHFFFAOYSA-N
rxn:1:61533:14361,Cc1c(-c2cn(Cc3csc(Cl)n3)nn2)cnc2cccnc12,SJMPZRZUJJAZDZ-UHFFFAOYSA-N
rxn:1:61540:7772,Brc1ccc2c(-c3cn(C[C@@H]4CCCN4)nn3)c[nH]c2c1,YLHNLACEJDNEOD-NSHDSACASA-N
rxn:1:62588:23539,Nc1c(-c2cn(C3CCCC3I)nn2)oc2nccnc12,YOCHFXTVOAYLLV-UHFFFAOYSA-N
rxn:1:62688:11741,NCC1CC1c1cn(-c2cc(I)cc(I)c2I)nn1,JHKLNKFLVLYNKT-UHFFFAOYSA-N
rxn:1:62688:32630,NC1CC(F)(c2cn(-c3cc(I)cc(I)c3I)nn2)C1,LYOGKTNFRZYMGJ-UHFFFAOYSA-N
rxn:1:62688:3722,N[C@H]1C[C@H](c2cn(-c3cc(I)cc(I)c3I)nn2)C1,URUCUFDSYZCEOG-FKQCQYRASA-N
rxn:1:62688:37233,Cc1nc(O)ccc1-c1ccc(-c2cn(-c3cc(I)cc(I)c3I)nn2)cc1,MFMSDZLDKQNJES-UHFFFAOYSA-N
rxn:1:62688:39245,N[C@H]1CC[C@H](c2cn(-c3cc(I)cc(I)c3I)nn2)CC1,MNHLYBUZPPEJQB-CZMCAQCFSA-N
rxn:1:65438:28139,Nc1ncc(-c2cn(Cc3ccc(I)c(Cl)c3)nn2)c(N)n1,NMCHYYVNCFATPS-UHFFFAOYSA-N
rxn:1:65672:31957,Cc1cc(C=CCn2cc(-c3cnc(F)cc3N)nn2)cs1,PVOAZYSRZCKGAL-UHFFFAOYSA-N
rxn:1:41678:39292,CSCc1cn(CC=Cc2cc(Cl)cc(Br)c2O)nn1,FVQUGDPSQXOCCE-UHFFFAOYSA-N
rxn:1:41904:2955,Clc1ccc2c(-c3cn(CC#Cc4ccsc4)nn3)c[nH]c2c1,DLRRBFPUCKBZHO-UHFFFAOYSA-N
rxn:1:41907:11848,NC1CCC(c2cn(-c3ccc(I)cc3Cl)nn2)CC1,NZGNBTNSXFSJLR-UHFFFAOYSA-N
rxn:1:41917:37717,Cc1sccc1C#CCn1cc(-c2cnc3[nH]nc(C)c3c2)nn1,IYHZXGBZPDJLLC-UHFFFAOYSA-N
rxn:1:41917:38932,Cc1sccc1C#CCn1cc(-c2cc(C#N)ccn2)nn1,IWDQWMFMWCMKBM-UHFFFAOYSA-N
rxn:1:41918:7755,CC1(c2cn(-c3ccc(Cl)cc3I)nn2)CCCN1,VBODPWFXJBARQU-UHFFFAOYSA-N
rxn:1:41921:31195,Cc1cscc1C#CCn1cc(-c2ccc3c(c2)CNC3)nn1,JLESXFUOPJODHW-UHFFFAOYSA-N
rxn:1:41921:3915,Cc1cscc1C#CCn1cc(-c2cnc(O)c(F)c2)nn1,FVCTWSWCVZENHJ-UHFFFAOYSA-N
rxn:1:42241:340,Nc1ncc(C#CCn2cc(Cc3cccs3)nn2)cc1O,KZZWGFMXKCPZNO-UHFFFAOYSA-N
rxn:1:43669:2927,CSCCc1cn(CC#Cc2ccc(Br)cc2O)nn1,SYKMMMFGKWIKTK-UHFFFAOYSA-N
rxn:1:43671:1429,Cc1sc(-c2cn(CC#Cc3c(N)ccnc3Cl)nn2)cc1Br,UQZDFLVFWUILSR-UHFFFAOYSA-N
rxn:1:47710:31525,CCc1ccncc1-c1cn(-c2nccc3c(I)c[nH]c23)nn1,CDFCIBJMSDMSKP-UHFFFAOYSA-N
rxn:1:49432:31526,ICC1(n2cc(-c3cc(I)cc(I)c3)nn2)CCNC1,HTBIGAGRHTXBDE-UHFFFAOYSA-N
rxn:1:49432:6378,CCc1cc(-c2cn(C3(CI)CCNC3)nn2)ncn1,VRCRDITUBNBECF-UHFFFAOYSA-N
rxn:1:55948:32044,Cc1cc(-c2cn(CCI)nn2)ccc1CN,QNLDWZNOJSYLRH-UHFFFAOYSA-N
rxn:1:57011:39013,Brc1cscc1CCCn1cc(-c2ccc3[nH]ncc3n2)nn1,UZRHPELHKKNMOW-UHFFFAOYSA-N
rxn:1:59847:31467,NCc1cncc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)c1,BQLBNXQNHMOGPS-UKRRQHHQSA-N
rxn:1:61784:11848,NC1CCC(c2cn(-c3ccc4[nH]nc(I)c4c3)nn2)CC1,ANHWNSYKOGIJMD-UHFFFAOYSA-N
rxn:1:61799:11768,NC[C@H]1CC[C@@H](c2cn(-c3cc(F)ccc3I)nn2)CC1,JHNXMTQOPUEFFF-PHIMTYICSA-N
rxn:1:61827:23834,N[C@@H]1CC[C@@H]1c1cn(-c2ccc(I)c(Br)c2)nn1,COTZTQTUZMPDLF-GZMMTYOYSA-N
rxn:1:61827:31195,Brc1cc(-n2cc(-c3ccc4c(c3)CNC4)nn2)ccc1I,SWJUKFROXWCXBL-UHFFFAOYSA-N
rxn:1:61827:558,N[C@@H](CO)Cc1cn(-c2ccc(I)c(Br)c2)nn1,UOHHLVMZBNFXRW-SSDOTTSWSA-N
rxn:1:62327:37717,Cc1n[nH]c2ncc(-c3cn(CC(C)CBr)nn3)cc12,SFOLASKBMIOWFK-UHFFFAOYSA-N
rxn:1:62588:31588,Cc1nc(C#N)ccc1-c1cn(C2CCCC2I)nn1,SRLKTVZYELOANJ-UHFFFAOYSA-N
rxn:1:62688:31425,Cc1cc(N)c(-c2cn(-c3cc(I)cc(I)c3I)nn2)cn1,DBEMMBDIUAEULK-UHFFFAOYSA-N
rxn:1:63670:1825,Cc1cc(N)ncc1-c1cn(Cc2ccc(Br)s2)nn1,APINUEBQEZFGFP-UHFFFAOYSA-N
rxn:1:65661:8558,Nc1n[nH]c2cc(-c3cn(CC=Cc4ccsc4)nn3)ccc12,BQBKYACIJHCNMH-UHFFFAOYSA-N
rxn:1:65673:31168,Cc1cnc(-c2cn(CC=Cc3ccsc3C)nn2)cc1N,DEFJPKPKQAYOEJ-UHFFFAOYSA-N
rxn:1:65678:32624,Cc1cc(-c2cn(CC=Cc3ccsc3Cl)nn2)cc(F)c1N,NIQQVVCTAUUZIZ-UHFFFAOYSA-N
rxn:1:41710:23539,Nc1c(-c2cn(CC=Cc3ccc(I)cc3)nn2)oc2nccnc12,AXFACEGNROZWJS-UHFFFAOYSA-N
rxn:1:41718:12152,NC[C@@H]1C[C@H]1c1cn(-c2cc(Br)ccc2I)nn1,RQXYCRUXVOSGRH-IONNQARKSA-N
rxn:1:41718:1827,Oc1cncc(-c2cn(-c3cc(Br)ccc3I)nn2)c1,RZVNTGPHGZAXJH-UHFFFAOYSA-N
rxn:1:41745:7755,CC1(c2cn(-c3ccc(Cl)c(Br)c3)nn2)CCCN1,NLXKVKWSAVQDRD-UHFFFAOYSA-N
rxn:1:41865:38682,Ic1ccc(C=CCn2cc(-c3cnc4nc[nH]c4c3)nn2)o1,MXAFOWNJARXVBO-UHFFFAOYSA-N
rxn:1:41904:3695,Nc1ccc(O)c(-c2cn(CC#Cc3ccsc3)nn2)c1,FCRFJKQYTAOWGI-UHFFFAOYSA-N
rxn:1:41917:38726,Cc1sccc1C#CCn1cc(-c2ncc(Cl)nc2N)nn1,DRHZPNZLRHKLRH-UHFFFAOYSA-N
rxn:1:41923:1858,Clc1sccc1C#CCn1cc(-c2cnc3cccnc3c2)nn1,IWGBXXQHUZZTNF-UHFFFAOYSA-N
rxn:1:41924:1664,Cc1cc(-c2cn(CC#Cc3ccc(Cl)s3)nn2)cc(C)c1N,LXXHXFXNPNXPFH-UHFFFAOYSA-N
rxn:1:41924:3313,N#Cc1cc(-c2cn(CC#Cc3ccc(Cl)s3)nn2)c(N)cc1F,KZHAGQKJSGBZJG-UHFFFAOYSA-N
rxn:1:41951:31836,Cc1cc(C#N)ncc1-c1cn(-c2cc(F)ccc2Cl)nn1,APRIVCMNKBTFJZ-UHFFFAOYSA-N
rxn:1:49432:674,Clc1cc(Cl)c(OCc2cn(C3(CI)CCNC3)nn2)cc1Cl,PZKWIRADZUBUKI-UHFFFAOYSA-N
rxn:1:49432:7775,Clc1ccc2[nH]cc(-c3cn(C4(CI)CCNC4)nn3)c2c1,UHPMADSPKVZNBM-UHFFFAOYSA-N
rxn:1:49702:12244,Brc1ccc(I)c(OCc2cn(-c3cnccn3)nn2)c1,JLJJZPRUCDBZRK-UHFFFAOYSA-N
rxn:1:57010:27779,Cc1nc(-c2cn(CCCc3ccsc3Cl)nn2)nc2[nH]cnc12,LWMRGFPNWJIPHV-UHFFFAOYSA-N
rxn:1:57043:32355,Nc1ncc(-c2cn(CCCc3csc(Br)n3)nn2)nc1Br,ZEMLSBGGSVILEA-UHFFFAOYSA-N
rxn:1:59847:31930,Cc1cncc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)c1N,ODDWVPIEMJDZNE-TZMCWYRMSA-N
rxn:1:59847:32086,Nc1ccc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)cc1C=O,CTNCWFAHJRDKGA-CZUORRHYSA-N
rxn:1:59985:455,Cc1cccc2c(-c3cn([C@@H]4CC[C@H]4I)nn3)ccnc12,NWNPNSPWQBWFEO-UKRRQHHQSA-N
rxn:1:60198:14361,Cc1c(-c2cn(-c3c(I)ccnc3F)nn2)cnc2cccnc12,QRPFOLUMNQMFQS-UHFFFAOYSA-N
rxn:1:61827:11724,NC[C@H]1CC[C@H](c2cn(-c3ccc(I)c(Br)c3)nn2)CC1,DUXDMQMGDLUXKG-XYPYZODXSA-N
rxn:1:61827:39148,C=CCNCc1cn(-c2ccc(I)c(Br)c2)nn1,ADRZAVUNABOZIT-UHFFFAOYSA-N
rxn:1:61827:39367,CNC(C)c1cn(-c2ccc(I)c(Br)c2)nn1,TYCUGJFFEHYSEP-UHFFFAOYSA-N
rxn:1:61827:9270,OC(Cc1cn(-c2ccc(I)c(Br)c2)nn1)C1CC1,LAVFUHCNFRVFJL-UHFFFAOYSA-N
rxn:1:62688:23839,Ic1cc(I)c(I)c(-n2cc(C3NCC4CCC43)nn2)c1,CLPXOXNGTMXIIA-UHFFFAOYSA-N
rxn:1:62688:28694,NC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CCCCC1,QXTSPLBQCUDGNN-UHFFFAOYSA-N
rxn:1:62688:31195,Ic1cc(I)c(I)c(-n2cc(-c3ccc4c(c3)CNC4)nn2)c1,WDKSIDSBLGTUFN-UHFFFAOYSA-N
rxn:1:41718:3722,N[C@H]1C[C@H](c2cn(-c3cc(Br)ccc3I)nn2)C1,KBDAWSSGNOQHTN-XWEPSHTISA-N
rxn:1:41912:2955,Clc1ccc2c(-c3cn(CC#Cc4cscn4)nn3)c[nH]c2c1,NSCZKPRJQOPJCT-UHFFFAOYSA-N
rxn:1:41923:32091,N#Cc1ccc(N)c(-c2cn(CC#Cc3ccsc3Cl)nn2)c1,ZTPOOAGLZZQCNA-UHFFFAOYSA-N
rxn:1:42202:39550,N#Cc1cncc(C#CCn2cc(-c3cc(Br)co3)nn2)c1,SDHFXDFVCSNNPV-UHFFFAOYSA-N
rxn:1:43668:2927,CSCCc1cn(CC#Cc2cc(Br)ccc2O)nn1,IPRJWTOVKNZGGW-UHFFFAOYSA-N
rxn:1:49432:23567,Nc1c(-c2cn(C3(CI)CCNC3)nn2)sc2c(I)cncc12,NDFOTLXBFWBHOP-UHFFFAOYSA-N
rxn:1:53095:28642,NC1CCc2cc(-c3cn(CCCBr)nn3)ccc21,KMLJCQDFPIOOSY-UHFFFAOYSA-N
rxn:1:53562:23539,Nc1c(-c2cn(Cc3ccc(Br)cc3I)nn2)oc2nccnc12,AGRPLEAWIONHCV-UHFFFAOYSA-N
rxn:1:55948:36613,Cc1ccc(-c2ccc(-c3cn(CCI)nn3)nc2)c(C)c1,ANVSGQCHAVNIEN-UHFFFAOYSA-N
rxn:1:59915:1848,CN(C)Cc1ccc(-c2cn(Cc3sc(Br)cc3Br)nn2)cc1,YKVXXFBTNJJNFN-UHFFFAOYSA-N
rxn:1:61827:2061,NC1(C(=O)c2cn(-c3ccc(I)c(Br)c3)nn2)CCC1,BFCFOVUKHBRZMY-UHFFFAOYSA-N
rxn:1:62390:20555,CCSC1CCC1n1cc(-c2cnc(Cl)c(I)c2N)nn1,BFOVBSFHSCWOIS-UHFFFAOYSA-N
rxn:1:62588:24341,CNC1CC1c1ccc(-c2cn(C3CCCC3I)nn2)cc1,GPRZGUMIZODFBY-UHFFFAOYSA-N
rxn:1:62688:6568,NCC(F)(CN)Cc1cn(-c2cc(I)cc(I)c2I)nn1,NJBRFJWKDVTIMH-UHFFFAOYSA-N
rxn:1:62688:7120,CNC[C@H]1C[C@H]1c1cn(-c2cc(I)cc(I)c2I)nn1,SIGOOOMVXYRURA-VXNVDRBHSA-N
rxn:1:63670:2140,NC1(C(=O)c2cn(Cc3ccc(Br)s3)nn2)CC1,IZTKEMVOMHPPMQ-UHFFFAOYSA-N
rxn:1:65306:2955,Clc1ccc2c(-c3cn(Cc4cccs4)nn3)c[nH]c2c1,MIQXVIPASBZBNA-UHFFFAOYSA-N
rxn:1:65328:14215,NCc1ccc(-c2ccc(-c3cn(CCBr)nn3)cc2)cc1,XRVYDACREAYQAK-UHFFFAOYSA-N
rxn:1:65673:31438,Cc1sccc1C=CCn1cc(-c2cc(C#N)cnc2N)nn1,UFLQYKACMBAEGR-UHFFFAOYSA-N
rxn:1:41711:14361,Cc1c(-c2cn(-c3ccc(I)cc3Br)nn2)cnc2cccnc12,FMVCPNVRQWLYBB-UHFFFAOYSA-N
rxn:1:41711:28691,CNC(C)c1ccc(-c2cn(-c3ccc(I)cc3Br)nn2)cc1,ZBTMEBDMUPWCDT-UHFFFAOYSA-N
rxn:1:41718:3887,CC1(c2cn(-c3cc(Br)ccc3I)nn2)CNC1,UDYKBOQBRQWLQG-UHFFFAOYSA-N
rxn:1:41847:1664,Cc1cc(-c2cn(CC=Cc3cscc3Br)nn2)cc(C)c1N,NPECXHYTBGEWPK-UHFFFAOYSA-N
rxn:1:41847:31454,Nc1nc(Cl)ncc1-c1cn(CC=Cc2cscc2Br)nn1,WALPXRMCGLHNMY-UHFFFAOYSA-N
rxn:1:41905:23539,Nc1c(-c2cn(CC#Cc3cccs3)nn2)oc2nccnc12,HRRYCXWJRUINIT-UHFFFAOYSA-N
rxn:1:41916:20594,Cc1cc(C#CCn2cc(-c3cnc(Cl)cc3N)nn2)cs1,TWZKACMEPVOXBS-UHFFFAOYSA-N
rxn:1:41918:4157,C=C(Cl)CNCc1cn(-c2ccc(Cl)cc2I)nn1,IWGZYLUEGUSMTI-UHFFFAOYSA-N
rxn:1:41923:1825,Cc1cc(N)ncc1-c1cn(CC#Cc2ccsc2Cl)nn1,ZEURHKVWCRCUFI-UHFFFAOYSA-N
rxn:1:42018:3674,Cc1ccc(I)cc1-n1cc(-c2c[nH]c3ncnc(N)c23)nn1,ICIDYJGZTBLGKE-UHFFFAOYSA-N
rxn:1:43680:38682,Clc1ncc(Br)cc1C#CCn1cc(-c2cnc3nc[nH]c3c2)nn1,PPWGROYJZHDTMW-UHFFFAOYSA-N
rxn:1:43719:7086,N[C@@H]1CCCC[C@@H]1c1cn(-c2ccc(Cl)c(I)c2)nn1,DLHATVKEDRVOHH-GXFFZTMASA-N
rxn:1:43730:412,Cc1cc(C)c(-c2cn(-c3ccc(Br)cc3I)nn2)cn1,KYAHGKQQNBNKPX-UHFFFAOYSA-N
rxn:1:45334:39011,C(=Cc1ccsc1)CCn1cc(-c2cnc3cn[nH]c3c2)nn1,QOELREYFRHBBPZ-UHFFFAOYSA-N
rxn:1:47710:31368,CCCCCc1cn(-c2nccc3c(I)c[nH]c23)nn1,PGJCVPBXJVBPBV-UHFFFAOYSA-N
rxn:1:47710:31855,CC1(C)CC(c2cn(-c3nccc4c(I)c[nH]c34)nn2)C1,XNRUMXJJGDXTSW-UHFFFAOYSA-N
rxn:1:52479:14361,Cc1c(-c2cn(Cc3csc(Br)n3)nn2)cnc2cccnc12,ZBVFQDQFYJGZKX-UHFFFAOYSA-N
rxn:1:54937:38682,c1nc2ncc(-c3cn(CC4CC4c4ccsc4)nn3)cc2[nH]1,OJVMQYNEXWKNED-UHFFFAOYSA-N
rxn:1:55948:14207,O=C(Nc1ccc(-c2cn(CCI)nn2)cc1)Nc1cccc(F)c1,JMLZROOODNCYLP-UHFFFAOYSA-N
rxn:1:57011:37717,Cc1n[nH]c2ncc(-c3cn(CCCc4cscc4Br)nn3)cc12,UBNCKCAMCRNSCB-UHFFFAOYSA-N
rxn:1:59915:31195,Brc1cc(Br)c(Cn2cc(-c3ccc4c(c3)CNC4)nn2)s1,NLMQUTKXFYDVAW-UHFFFAOYSA-N
rxn:1:61827:39371,CNC(C)(C)c1cn(-c2ccc(I)c(Br)c2)nn1,QRPXENIDLDSDIK-UHFFFAOYSA-N
rxn:1:62588:39008,COc1ncc(-c2cn(C3CCCC3I)nn2)cc1F,DAYAQEPAABQTCF-UHFFFAOYSA-N
rxn:1:62688:23838,NC[C@@H]1CC[C@H]1c1cn(-c2cc(I)cc(I)c2I)nn1,KPTYSDPSMCZUGE-IONNQARKSA-N
rxn:1:65654:23539,Nc1c(-c2cn(-c3cccc(C=CCS)c3)nn2)oc2nccnc12,UGBMQYYYBUDMQE-UHFFFAOYSA-N
rxn:1:65673:31520,Cc1sccc1C=CCn1cc(-c2cncc(Cl)c2N)nn1,GDLCLMZCPDQOSG-UHFFFAOYSA-N
rxn:1:41711:31376,CNCCc1ccc(-c2cn(-c3ccc(I)cc3Br)nn2)c(Cl)c1,YKPCWUXUBVQURA-UHFFFAOYSA-N
rxn:1:41718:2036,NC1CC(c2cn(-c3cc(Br)ccc3I)nn2)C1,KBDAWSSGNOQHTN-UHFFFAOYSA-N
rxn:1:41921:31524,Cc1cscc1C#CCn1cc(-c2cncc(F)c2N)nn1,CFZIQLXXTFUPLL-UHFFFAOYSA-N
rxn:1:43719:11996,NCC1(c2cn(-c3ccc(Cl)c(I)c3)nn2)CCC1,YUGDWLMIIFTZPL-UHFFFAOYSA-N
rxn:1:47710:30489,Cn1ncc(-c2cn(-c3nccc4c(I)c[nH]c34)nn2)c1C1CC1,PIFNOELCZRLJRT-UHFFFAOYSA-N
rxn:1:52479:15643,FC(F)c1nn(C2CCSC2)cc1-c1cn(Cc2csc(Br)n2)nn1,ZKSJSNKZHQBQCY-UHFFFAOYSA-N
rxn:1:55127:20555,Nc1c(-c2cn(CC3CC3c3cc(O)ccn3)nn2)cnc(Cl)c1I,OQKYORRHDJKXQF-UHFFFAOYSA-N
rxn:1:56377:8718,Cc1cc(-c2cn(CCCSc3cccs3)nn2)cnc1N,SNZXJBWPINCWDJ-UHFFFAOYSA-N
rxn:1:57011:39015,Brc1cscc1CCCn1cc(-c2cc3[nH]ncc3cn2)nn1,IKFDSHRQWSHLAA-UHFFFAOYSA-N
rxn:1:59871:31195,Fc1cc(I)cc(F)c1-n1cc(-c2ccc3c(c2)CNC3)nn1,CZZRQTLRJCQXRD-UHFFFAOYSA-N
rxn:1:59915:11736,NCC1(Cc2cn(Cc3sc(Br)cc3Br)nn2)CCC1,YQDUTKFEPXZVKD-UHFFFAOYSA-N
rxn:1:59985:190,Oc1c(-c2cn([C@@H]3CC[C@H]3I)nn2)ccc2cccnc12,HKYLZILOSRRNOI-DGCLKSJQSA-N
rxn:1:61827:31542,N[C@H]1CCCC[C@H]1c1cn(-c2ccc(I)c(Br)c2)nn1,IIQIFFCXOSYLPZ-MFKMUULPSA-N
rxn:1:62327:23521,Cc1cnc2oc(-c3cn(CC(C)CBr)nn3)c(N)c2c1,MZQSQWPYYNEDBB-UHFFFAOYSA-N
rxn:1:63757:31360,Fc1ncc(-c2cn(Cc3ccc(Cl)s3)nn2)cc1Cl,ZGJCVGBYMJSGQW-UHFFFAOYSA-N
rxn:1:64791:31195,Oc1ccc(Br)cc1-n1cc(-c2ccc3c(c2)CNC3)nn1,WJYUYZYBAMQEGM-UHFFFAOYSA-N
rxn:1:65661:20555,Nc1c(-c2cn(CC=Cc3ccsc3)nn2)cnc(Cl)c1I,IHGPANVKSMFYHP-UHFFFAOYSA-N
rxn:1:41711:23893,Brc1cc(I)ccc1-n1cc(C2CCN3CCCC23)nn1,ZCLHOBJNIZQXHX-UHFFFAOYSA-N
rxn:1:41711:28570,Brc1cc(I)ccc1-n1cc(-c2ccc(C3CCNCC3)nc2)nn1,KXALGRPIZYJRIB-UHFFFAOYSA-N
rxn:1:41711:30475,CCn1ncc(-c2cn(-c3ccc(I)cc3Br)nn2)c1C,ALOLEFUPUQWJPU-UHFFFAOYSA-N
rxn:1:41711:38536,NC1(Cc2cn(-c3ccc(I)cc3Br)nn2)CCC1,VQORCPGLHQXQIJ-UHFFFAOYSA-N
rxn:1:41904:31482,C(#Cc1ccsc1)Cn1cc(-c2cnc3c(c2)CCN3)nn1,ABEZSJSXWVTLGS-UHFFFAOYSA-N
rxn:1:41905:31520,Nc1c(Cl)cncc1-c1cn(CC#Cc2cccs2)nn1,CLUSTULFMDWJPR-UHFFFAOYSA-N
rxn:1:41921:27779,Cc1cscc1C#CCn1cc(-c2nc(C)c3nc[nH]c3n2)nn1,UZPNRZUAZWJWKU-UHFFFAOYSA-N
rxn:1:41923:31896,Clc1sccc1C#CCn1cc(-c2ccncc2I)nn1,DXFMGWXKUYQWFE-UHFFFAOYSA-N
rxn:1:42029:2476,Cc1ccc(-n2cc(CCC(C)(C)C=O)nn2)cc1I,OQLSUNJDSKWEAP-UHFFFAOYSA-N
rxn:1:42234:31520,Nc1c(Cl)cncc1-c1cn(CC#Cc2cnc(Cl)nc2Cl)nn1,GGQSCQLONWBRRO-UHFFFAOYSA-N
rxn:1:50513:31588,Cc1nc(C#N)ccc1-c1cn(CCCCCI)nn1,ICYVQVAMAHJUTK-UHFFFAOYSA-N
rxn:1:53562:1881,Brc1ccc(Cn2cc(-c3cnc4scnc4c3)nn2)c(I)c1,ISGYBNDTNDYZPP-UHFFFAOYSA-N
rxn:1:53562:3674,Nc1ncnc2[nH]cc(-c3cn(Cc4ccc(Br)cc4I)nn3)c12,SCOYRUZZGQCFMH-UHFFFAOYSA-N
rxn:1:57073:20555,Nc1c(-c2cn(CCCc3ccc(C=O)s3)nn2)cnc(Cl)c1I,DKIIFJIEHRLDKI-UHFFFAOYSA-N
rxn:1:57363:357,Cc1ccc(-c2cn(CCCc3cc(Br)cnc3N)nn2)s1,UGIGFXLTJWEJRN-UHFFFAOYSA-N
rxn:1:57866:2089,Cc1csc(-c2cn(CCCc3cc(Br)cc(Br)c3N)nn2)c1,LMDOIKYGEALNGT-UHFFFAOYSA-N
rxn:1:59847:31482,I[C@@H]1CCCCC[C@H]1n1cc(-c2cnc3c(c2)CCN3)nn1,RTRCRMAYTCPGKG-UKRRQHHQSA-N
rxn:1:62688:3396,CC(C)n1ccnc1-c1cn(-c2cc(I)cc(I)c2I)nn1,GSQAAJXBASOHEG-UHFFFAOYSA-N
rxn:1:62688:7086,N[C@@H]1CCCC[C@@H]1c1cn(-c2cc(I)cc(I)c2I)nn1,HXPRFRRAQYSPGS-GXSJLCMTSA-N
rxn:1:65661:27779,Cc1nc(-c2cn(CC=Cc3ccsc3)nn2)nc2[nH]cnc12,UTANVZFGLBYQJX-UHFFFAOYSA-N
rxn:1:41478:31836,Cc1cc(C#N)ncc1-c1cn(-c2cc(Cl)ccc2Cl)nn1,BWVHKCFSZNOGHV-UHFFFAOYSA-N
rxn:1:41718:30291,Cc1nn(C)c(C)c1-c1cn(-c2cc(Br)ccc2I)nn1,LANHJHWDCREUBU-UHFFFAOYSA-N
rxn:1:41904:38650,Nc1ccc([N+](=O)[O-])cc1-c1cn(CC#Cc2ccsc2)nn1,CEURGDIBRSVQQO-UHFFFAOYSA-N
rxn:1:41916:1997,Cc1cc(C#CCn2cc(-c3cnc(Br)nc3)nn2)cs1,YGEYIVBETUHCMT-UHFFFAOYSA-N
rxn:1:41917:23539,Cc1sccc1C#CCn1cc(-c2oc3nccnc3c2N)nn1,RRLMWFSRTLWWLX-UHFFFAOYSA-N
rxn:1:41923:31279,Nc1c(-c2cn(CC#Cc3ccsc3Cl)nn2)cnc(Cl)c1F,VTMDHMWXKYNKIV-UHFFFAOYSA-N
rxn:1:41937:20594,Cc1cnc(C#CCn2cc(-c3cnc(Cl)cc3N)nn2)s1,CIRZUFQNVOTRQL-UHFFFAOYSA-N
rxn:1:43730:23281,C[C@@H](N)Cc1cn(-c2ccc(Br)cc2I)nn1,CTLFJYMNVIMUGN-SSDOTTSWSA-N
rxn:1:43782:38682,C(#Cc1cccs1)CCn1cc(-c2cnc3nc[nH]c3c2)nn1,UWYMUXNLVBWODG-UHFFFAOYSA-N
rxn:1:49432:7772,Brc1ccc2c(-c3cn(C4(CI)CCNC4)nn3)c[nH]c2c1,JMYQUKSUCRHKJD-UHFFFAOYSA-N
rxn:1:49433:8557,Brc1cc(-c2cn(C3(CI)CNC3)nn2)cs1,YZGFZKGQQIPRJR-UHFFFAOYSA-N
rxn:1:54937:37737,Clc1ccc2c(-c3cn(CC4CC4c4ccsc4)nn3)c[nH]c2n1,OEHLEOBBECMTMW-UHFFFAOYSA-N
rxn:1:57017:31454,Nc1nc(Cl)ncc1-c1cn(CCCc2sccc2Br)nn1,AJVIQJWQEFYZMT-UHFFFAOYSA-N
rxn:1:59847:27779,Cc1nc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)nc2[nH]cnc12,LYOUQQXLCJNMTO-ZYHUDNBSSA-N
rxn:1:59915:31525,CCc1ccncc1-c1cn(Cc2sc(Br)cc2Br)nn1,DSMPUXBCHDQJDE-UHFFFAOYSA-N
rxn:1:59985:23562,Cc1cc2c(N)c(-c3cn([C@@H]4CC[C@H]4I)nn3)oc2nc1C,UJRFVMRTXRSUOZ-ZYHUDNBSSA-N
rxn:1:62688:12136,FC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CCCNC1,VGLAOMBFONVBQJ-UHFFFAOYSA-N
rxn:1:62688:334,Ic1cc(I)c(I)c(-n2cc(Cc3nccs3)nn2)c1,XJGRZPNAUYYEMR-UHFFFAOYSA-N
rxn:1:62688:9269,CC(C)C(O)Cc1cn(-c2cc(I)cc(I)c2I)nn1,VVTIJENTASEDSU-UHFFFAOYSA-N
rxn:1:63596:20555,CC(C)CCn1cc(-c2cnc(Cl)c(I)c2N)nn1,SAQBYGLCHXIRLM-UHFFFAOYSA-N
rxn:1:65673:31930,Cc1cncc(-c2cn(CC=Cc3ccsc3C)nn2)c1N,GAOXHZFQKGZUCQ-UHFFFAOYSA-N
rxn:1:40081:2983,Cc1ncc(N)cc1C=CCn1cc(Cc2ccc(Br)s2)nn1,SFOAIQYKQNCMQG-UHFFFAOYSA-N
rxn:1:41711:2058,NC1(c2cn(-c3ccc(I)cc3Br)nn2)CCOC1,OTPFUOOOGWGSNS-UHFFFAOYSA-N
rxn:1:41711:35061,Brc1cc(I)ccc1-n1cc(-c2ccc3nccnc3c2)nn1,CUQHSNNTAMTKQL-UHFFFAOYSA-N
rxn:1:41718:31518,Cc1ncc(O)cc1-c1cn(-c2cc(Br)ccc2I)nn1,HHRLIMNFZMMOQX-UHFFFAOYSA-N
rxn:1:41905:3313,N#Cc1cc(-c2cn(CC#Cc3cccs3)nn2)c(N)cc1F,WICQBTFVAHEOMV-UHFFFAOYSA-N
rxn:1:41921:31520,Cc1cscc1C#CCn1cc(-c2cncc(Cl)c2N)nn1,GZXGUAKKTDWSIA-UHFFFAOYSA-N
rxn:1:41923:2641,Fc1ccnc(-c2cn(CC#Cc3ccsc3Cl)nn2)c1,GKOMGTQHQPRUKB-UHFFFAOYSA-N
rxn:1:43683:38682,Clc1cc(C#CCn2cc(-c3cnc4nc[nH]c4c3)nn2)c(Br)cn1,WQYRSRSTJSPZEV-UHFFFAOYSA-N
rxn:1:43730:38536,NC1(Cc2cn(-c3ccc(Br)cc3I)nn2)CCC1,UVUKAIKHAFHQSH-UHFFFAOYSA-N
rxn:1:43758:341,CNCC#Cc1cccc(-n2cc(Cc3ccsc3)nn2)c1,XRLSLGQARNQRSM-UHFFFAOYSA-N
rxn:1:49432:38154,Cc1cc(O)c(I)c(-c2cn(C3(CI)CCNC3)nn2)c1,GFQLRHZYASHBAO-UHFFFAOYSA-N
rxn:1:49433:32000,ICC1(n2cc(-c3ccc([C@H]4CCCN4)cc3)nn2)CNC1,TWVUEMIROJXFGH-CQSZACIVSA-N
rxn:1:49433:37265,C=Cc1cc(C(F)(F)F)cnc1-c1cn(C2(CI)CNC2)nn1,XYQRIUSIWNFMJV-UHFFFAOYSA-N
rxn:1:49433:8647,Cc1cc(-c2cn(C3(CI)CNC3)nn2)c(C)cc1Cl,MRIJZHBJHULOGA-UHFFFAOYSA-N
rxn:1:50513:7346,Cc1nc(N)ccc1-c1cn(CCCCCI)nn1,RKHBORBBGUTWFL-UHFFFAOYSA-N
rxn:1:53562:3819,C[C@@H](N)c1cn(Cc2ccc(Br)cc2I)nn1,BYBNLCHFFSGNBR-SSDOTTSWSA-N
rxn:1:55948:39502,ICCn1cc(-c2cccc(Nc3cn[nH]c3)c2)nn1,JHOGDGLSNIKPHS-UHFFFAOYSA-N
rxn:1:57011:31054,Nc1ncnc2c1ncn2-c1cn(CCCc2cscc2Br)nn1,KCGREQZETAXTHH-UHFFFAOYSA-N
rxn:1:59915:3091,NCC1CC1c1ccc(-c2cn(Cc3sc(Br)cc3Br)nn2)cc1,NOOGGQGFIZTDFY-UHFFFAOYSA-N
rxn:1:62140:22923,FC(F)n1cc(-c2cncc(-n3nc(C4CNC4)c(I)c3I)c2)nn1,UOALALZFQYYWAI-UHFFFAOYSA-N
rxn:1:63670:1881,Brc1ccc(Cn2cc(-c3cnc4scnc4c3)nn2)s1,HWFLKLOOKDHHNR-UHFFFAOYSA-N
rxn:1:41547:31520,Cc1ccc(Br)cc1-n1cc(-c2cncc(Cl)c2N)nn1,PRGZNUISFHGLHM-UHFFFAOYSA-N
rxn:1:41711:32000,Brc1cc(I)ccc1-n1cc(-c2ccc([C@H]3CCCN3)cc2)nn1,SDIXWAHDHPKZHT-MRXNPFEDSA-N
rxn:1:41711:8798,NCc1cccc(-c2cn(-c3ccc(I)cc3Br)nn2)c1,UZITYDNWXKVLPW-UHFFFAOYSA-N
rxn:1:41917:39924,CNc1ccc(-c2cn(CC#Cc3ccsc3C)nn2)nn1,XZBCTWAVIWYAAW-UHFFFAOYSA-N
rxn:1:42186:1429,Cc1sc(-c2cn(CC#Cc3cnc(Cl)cc3N)nn2)cc1Br,JSCBTYBRVGIFLJ-UHFFFAOYSA-N
rxn:1:42186:2756,Cc1cc(Br)c(-c2cn(CC#Cc3cnc(Cl)cc3N)nn2)s1,IAWWACXPWUGBCM-UHFFFAOYSA-N
rxn:1:43800:31927,Nc1ncncc1-c1cn(CCC#Cc2ccc(Cl)s2)nn1,RZANEWZZWJCJIP-UHFFFAOYSA-N
rxn:1:45354:39021,Clc1ccc(C=CCCn2cc(-c3cnc4[nH]ncc4c3)nn2)s1,PBVOKSWXMXPKMC-UHFFFAOYSA-N
rxn:1:50513:31836,Cc1cc(C#N)ncc1-c1cn(CCCCCI)nn1,SQJHJBUOFMYYHD-UHFFFAOYSA-N
rxn:1:54937:31438,N#Cc1cnc(N)c(-c2cn(CC3CC3c3ccsc3)nn2)c1,QDWUAIUAVUDIAK-UHFFFAOYSA-N
rxn:1:59830:31836,Cc1cc(C#N)ncc1-c1cn(Cc2ccc(Br)o2)nn1,CBQPLEUNFMRPIA-UHFFFAOYSA-N
rxn:1:59847:27889,Oc1cc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)ncc1Cl,NSIUUUJJGUGIJG-ZWNOBZJWSA-N
rxn:1:59847:31984,Nc1nc(Br)ccc1-c1cn([C@@H]2CCCCC[C@H]2I)nn1,BBFYVRYROWOTRS-ZYHUDNBSSA-N
rxn:1:59847:38857,Cc1nc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)ncc1Br,OJIZDIGJABXGHD-DGCLKSJQSA-N
rxn:1:59985:29580,Cc1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)c(N)n1,TVTYZDUQCNVEFO-MWLCHTKSSA-N
rxn:1:59985:39264,Cc1ccc2cc(-c3cn([C@@H]4CC[C@H]4I)nn3)ccc2n1,CANFCLAISRIYBV-CZUORRHYSA-N
rxn:1:61827:2836,NC1CC1c1ccc(-c2cn(-c3ccc(I)c(Br)c3)nn2)cc1,LNVBIVOHHGDNGC-UHFFFAOYSA-N
rxn:1:61827:39466,Brc1cc(-n2cc(C3CNC3)nn2)ccc1I,RPTFIRMRAZVHMK-UHFFFAOYSA-N
rxn:1:62588:3736,O=Cc1cc(CBr)cc(-c2cn(C3CCCC3I)nn2)c1,IQUDYBFKMZWBOO-UHFFFAOYSA-N
rxn:1:62688:1827,Oc1cncc(-c2cn(-c3cc(I)cc(I)c3I)nn2)c1,KWWTVKVRTKSWLG-UHFFFAOYSA-N
rxn:1:63670:30489,Cn1ncc(-c2cn(Cc3ccc(Br)s3)nn2)c1C1CC1,LHHSZQWWAXNORP-UHFFFAOYSA-N
rxn:1:63757:2836,NC1CC1c1ccc(-c2cn(Cc3ccc(Cl)s3)nn2)cc1,OKSRMYLWZHBZRY-UHFFFAOYSA-N
rxn:1:41777:31520,Nc1c(Cl)cncc1-c1cn(CC=Cc2csc(Br)n2)nn1,BZVKXEDIPCKWDF-UHFFFAOYSA-N
rxn:1:41905:32091,N#Cc1ccc(N)c(-c2cn(CC#Cc3cccs3)nn2)c1,CLADGFZBOTZJCV-UHFFFAOYSA-N
rxn:1:41916:20555,Cc1cc(C#CCn2cc(-c3cnc(Cl)c(I)c3N)nn2)cs1,HZZILLIGTPPLEO-UHFFFAOYSA-N
rxn:1:41923:1664,Cc1cc(-c2cn(CC#Cc3ccsc3Cl)nn2)cc(C)c1N,PONKRPOWNNPFPC-UHFFFAOYSA-N
rxn:1:42018:31520,Cc1ccc(I)cc1-n1cc(-c2cncc(Cl)c2N)nn1,VZRSFYSNYSGFHU-UHFFFAOYSA-N
rxn:1:43719:31232,N[C@@H]1CCC[C@H](c2cn(-c3ccc(Cl)c(I)c3)nn2)C1,QEXHRPIHUUTQGR-VHSXEESVSA-N
rxn:1:48960:23484,Nc1c(-c2cn(CC(O)c3csc(Cl)c3)nn2)sc2ncc(Br)cc12,SXOMZQDOFVKMPE-UHFFFAOYSA-N
rxn:1:49432:23529,Nc1c(-c2cn(C3(CI)CCNC3)nn2)oc2ccc(Br)cc12,HCHBPCMQLFJWTL-UHFFFAOYSA-N
rxn:1:49433:29219,Cc1c(Br)cccc1OCc1cn(C2(CI)CNC2)nn1,LALLDCQYBGNKBB-UHFFFAOYSA-N
rxn:1:50872:4682,COC(=O)c1ncccc1C1C(Cn2cc(CN3C(=O)C(c4ccccc4)Oc4cc(CN)ccc43)nn2)C1(F)F,LJKHAABHUZBJTN-UHFFFAOYSA-N
rxn:1:53562:1997,Brc1ccc(Cn2cc(-c3cnc(Br)nc3)nn2)c(I)c1,UJYASDILSLDZNB-UHFFFAOYSA-N
rxn:1:53562:2180,CSCC(N)c1cn(Cc2ccc(Br)cc2I)nn1,CZOPIOQMRIZPQY-UHFFFAOYSA-N
rxn:1:53562:5553,CC(N)c1cn(Cc2ccc(Br)cc2I)nn1,BYBNLCHFFSGNBR-UHFFFAOYSA-N
rxn:1:57011:32702,Nc1cc(-c2cn(CCCc3cscc3Br)nn2)ncc1F,WIXGVTSGQNNTGA-UHFFFAOYSA-N
rxn:1:57011:3313,N#Cc1cc(-c2cn(CCCc3cscc3Br)nn2)c(N)cc1F,ZENWUVMVDZPDLP-UHFFFAOYSA-N
rxn:1:57363:340,Nc1ncc(Br)cc1CCCn1cc(Cc2cccs2)nn1,ONSUWVABPHAVSO-UHFFFAOYSA-N
rxn:1:59847:2529,Cc1cc(F)ncc1-c1cn([C@@H]2CCCCC[C@H]2I)nn1,PJYAYSUAXBHHOV-TZMCWYRMSA-N
rxn:1:59985:1570,ON=Cc1cc(I)c(OCc2cn([C@@H]3CC[C@H]3I)nn2)c(I)c1,KYUOFUQKACUQQE-ZWNOBZJWSA-N
rxn:1:61676:1881,C[C@H](c1ccc(F)cc1F)n1cc(-c2cnc3scnc3c2)nn1,CGMDMPIJONQOGT-SECBINFHSA-N
rxn:1:62688:8634,CN(C)C1(c2cn(-c3cc(I)cc(I)c3I)nn2)CCC1,ZQDJVCLWUPAKMV-UHFFFAOYSA-N
rxn:1:40188:2927,CSCCc1cn(CC=Cc2ccc(Cl)nc2Cl)nn1,HYFIFJOLGZJGLY-UHFFFAOYSA-N
rxn:1:41262:35342,O=Cc1c[nH]c2ncc(C=CCn3cc(-c4ccc(Cl)s4)nn3)cc12,PPRRHXQVNBRXCK-UHFFFAOYSA-N
rxn:1:41711:37864,NCc1cc(-c2cn(-c3ccc(I)cc3Br)nn2)ccc1F,PVCCEOPRGKHSEF-UHFFFAOYSA-N
rxn:1:41805:31836,Cc1cc(C#N)ncc1-c1cn(-c2ccc(Cl)cc2Br)nn1,FMCNYFOTBRYRMQ-UHFFFAOYSA-N
rxn:1:41916:23656,Cc1cc(C#CCn2cc(-c3c[nH]c4ncncc34)nn2)cs1,OHIRNNUXQKAMQO-UHFFFAOYSA-N
rxn:1:41921:28642,Cc1cscc1C#CCn1cc(-c2ccc3c(c2)CCC3N)nn1,JOHZVVBVMSPIHH-UHFFFAOYSA-N
rxn:1:42186:1517,Nc1cc(Cl)ncc1C#CCn1cc(-c2cccc(I)c2)nn1,FCNIEYFGXOVXLY-UHFFFAOYSA-N
rxn:1:43680:1881,Clc1ncc(Br)cc1C#CCn1cc(-c2cnc3scnc3c2)nn1,ZRJDOLBLOFOBPX-UHFFFAOYSA-N
rxn:1:51342:7775,O=[N+]([O-])c1cccc2c(C3C(Cn4cc(-c5c[nH]c6ccc(Cl)cc56)nn4)C3(F)F)n[nH]c12,CDAVEZVOWPMIBN-UHFFFAOYSA-N
rxn:1:53017:31438,N#Cc1cnc(N)c(-c2cn(CCCc3ccsc3)nn2)c1,NSUTWHKPJZUTRI-UHFFFAOYSA-N
rxn:1:54937:39016,c1cc2[nH]ncc2c(-c2cn(CC3CC3c3ccsc3)nn2)n1,PZHHWNXVEFPELC-UHFFFAOYSA-N
rxn:1:55948:37777,CC(C)(C)c1ccc(-c2cn(CCI)nn2)c(O)c1,PEWOQKAWIOHFCW-UHFFFAOYSA-N
rxn:1:57006:31438,Cc1ccc(CCCn2cc(-c3cc(C#N)cnc3N)nn2)s1,RISPWMUQWPPGOO-UHFFFAOYSA-N
rxn:1:57043:1853,Nc1ncc(-c2cn(CCCc3csc(Br)n3)nn2)cc1Br,CDLRRICCDQZYPE-UHFFFAOYSA-N
rxn:1:58687:20132,Nc1ccc(-c2cn(CCCCc3cscc3Br)nn2)cc1,FOEDOJFQQXUIQO-UHFFFAOYSA-N
rxn:1:62688:24341,CNC1CC1c1ccc(-c2cn(-c3cc(I)cc(I)c3I)nn2)cc1,SVPWORWZWOQUPX-UHFFFAOYSA-N
rxn:1:62688:7723,Ic1cc(I)c(I)c(-n2cc([C@@H]3CCCNC3)nn2)c1,IAULKZZNOFSXDU-MRVPVSSYSA-N
rxn:1:65013:23723,Ic1cccc(-n2cc(C3C4CNCC43)nn2)c1,NHGBPDNHXODBJE-UHFFFAOYSA-N
rxn:1:65438:35061,Clc1cc(Cn2cc(-c3ccc4nccnc4c3)nn2)ccc1I,MOGQTTRYIXPJHM-UHFFFAOYSA-N
rxn:1:65661:39019,C(=Cc1ccsc1)Cn1cc(-c2cncc3[nH]ncc23)nn1,JYWXYKGLQQSQJH-UHFFFAOYSA-N
rxn:1:65673:20594,Cc1sccc1C=CCn1cc(-c2cnc(Cl)cc2N)nn1,SVSWKEZVTBMPHS-UHFFFAOYSA-N
rxn:1:41723:31195,Fc1ccc(-n2cc(-c3ccc4c(c3)CNC4)nn2)c(I)c1,SZFQEQGFMMTMOL-UHFFFAOYSA-N
rxn:1:41916:38439,Cc1cc(C#CCn2cc(-c3cncc(Cl)c3)nn2)cs1,AYWCTCZCBRWIPT-UHFFFAOYSA-N
rxn:1:42149:24238,CC(N)Cn1cc(-c2cc(Br)ccc2I)nn1,ACHBIWCPIHYKQJ-UHFFFAOYSA-N
rxn:1:42703:21199,COc1cc(F)cc(C(C)n2nc(C3CCCCC3)cc2-c2cn(CC#Cc3ccc(O)c(C#N)c3)nn2)c1,WAWPBRADLUTVFP-UHFFFAOYSA-N
rxn:1:42845:357,Cc1ccc(-c2cn(CC#Cc3n[nH]c4ncnc(N)c34)nn2)s1,GXALCPKSXTXBAB-UHFFFAOYSA-N
rxn:1:43719:23835,NC[C@@H]1CC[C@@H]1c1cn(-c2ccc(Cl)c(I)c2)nn1,DIMZQZAZEQHMHZ-WPRPVWTQSA-N
rxn:1:49433:31900,ICC1(n2cc(-c3ccc4c(c3)COCC4)nn2)CNC1,CWVHGNVMIAFXOL-UHFFFAOYSA-N
rxn:1:50526:3410,OC1(c2cn(CC3C(c4c[nH]c5ccccc45)C3(F)F)nn2)CCC12CCCCC2,QHTRLXMRVMKLBY-UHFFFAOYSA-N
rxn:1:53017:31224,Cc1nc(-c2cn(CCCc3ccsc3)nn2)ccc1N,CTEMUOLEBKWTEH-UHFFFAOYSA-N
rxn:1:57011:39709,Nc1cc(F)c(F)cc1-c1cn(CCCc2cscc2Br)nn1,IEWKQAHKIXEVMG-UHFFFAOYSA-N
rxn:1:57064:38682,Cc1cc(CCCn2cc(-c3cnc4nc[nH]c4c3)nn2)sc1Br,CMINSAXWYDIHSA-UHFFFAOYSA-N
rxn:1:58686:31438,N#Cc1cnc(N)c(-c2cn(CCCCc3ccsc3Cl)nn2)c1,HOMWLZLVKYCREI-UHFFFAOYSA-N
rxn:1:59985:35927,Cc1ncccc1-c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)c(F)c1,AVJMHHSVXNFNNZ-SJLPKXTDSA-N
rxn:1:61657:24238,C[C@H](N)Cn1cc(-c2cc(Br)ccc2I)nn1,ACHBIWCPIHYKQJ-ZETCQYMHSA-N
rxn:1:61827:3414,NC1(Cc2cn(-c3ccc(I)c(Br)c3)nn2)CC1,YBPOMGYMEXLCEZ-UHFFFAOYSA-N
rxn:1:61827:39076,Brc1cc(-n2cc([C@H]3CCCN3)nn2)ccc1I,JZAZWPNNDURBIN-LLVKDONJSA-N
rxn:1:61827:557,N[C@H](CO)Cc1cn(-c2ccc(I)c(Br)c2)nn1,UOHHLVMZBNFXRW-ZETCQYMHSA-N
rxn:1:62140:22721,CC(C)c1nn(-c2cncc(-c3cn(C(F)F)nn3)c2)c(I)c1I,TVCYAYWWDRIGPF-UHFFFAOYSA-N
rxn:1:62306:23521,Cc1cnc2oc(-c3cn(CC(C)C(F)F)nn3)c(N)c2c1,GAMFQHWJPFWCPJ-UHFFFAOYSA-N
rxn:1:62688:23281,C[C@@H](N)Cc1cn(-c2cc(I)cc(I)c2I)nn1,CDQKOXXDEUGFIS-ZCFIWIBFSA-N
rxn:1:62688:31054,Nc1ncnc2c1ncn2-c1cn(-c2cc(I)cc(I)c2I)nn1,QMKFZNQIEXGVME-UHFFFAOYSA-N
rxn:1:62688:3265,CNC(C)Cc1cn(-c2cc(I)cc(I)c2I)nn1,LQOHDGDCECRHMK-UHFFFAOYSA-N
rxn:1:64791:24341,CNC1CC1c1ccc(-c2cn(-c3cc(Br)ccc3O)nn2)cc1,KTHIBJGUVGHCRM-UHFFFAOYSA-N
rxn:1:65678:23521,Cc1cnc2oc(-c3cn(CC=Cc4ccsc4Cl)nn3)c(N)c2c1,HKKYBXKBYORMHI-UHFFFAOYSA-N
rxn:1:41788:20594,Cc1csc(C=CCn2cc(-c3cnc(Cl)cc3N)nn2)c1,AQEQNKCLRXIDJW-UHFFFAOYSA-N
rxn:1:41904:27791,Cc1n[nH]c2nc(-c3cn(CC#Cc4ccsc4)nn3)ncc12,UILCPQLPQMDHDG-UHFFFAOYSA-N
rxn:1:41924:20555,Nc1c(-c2cn(CC#Cc3ccc(Cl)s3)nn2)cnc(Cl)c1I,HIDGCNPLPXGUES-UHFFFAOYSA-N
rxn:1:42192:2983,Nc1cc(C#CCn2cc(Cc3ccc(Br)s3)nn2)cnc1F,UCHOMLOJUJQSPU-UHFFFAOYSA-N
rxn:1:42412:31195,BrCCCCn1cc(-c2ccc3c(c2)CNC3)nn1,CVSZALCNGMDHGT-UHFFFAOYSA-N
rxn:1:43730:39421,FC1(c2cn(-c3ccc(Br)cc3I)nn2)CCNC1,LOQWYKCVEGNQAK-UHFFFAOYSA-N
rxn:1:49433:28881,SCC1CC1c1ccc(-c2cn(C3(CI)CNC3)nn2)cc1,YFNWZKAKXJDVRS-UHFFFAOYSA-N
rxn:1:53048:22752,CC(C)(C)OC(=O)N1CCC(C(=O)O)(n2cc(-c3cncc(-n4nc(C5CCC5)c(Cl)c4Cl)c3)nn2)CC1,BPYVXMYTMFVYDJ-UHFFFAOYSA-N
rxn:1:53095:32044,Cc1cc(-c2cn(CCCBr)nn2)ccc1CN,FNKPGOLVSZVXSU-UHFFFAOYSA-N
rxn:1:54937:39297,Cc1noc(N)c1-c1cn(CC2CC2c2ccsc2)nn1,FCCHFSKZPXXPTJ-UHFFFAOYSA-N
rxn:1:54938:37737,Clc1ccc2c(-c3cn(CC4CC4c4cccs4)nn3)c[nH]c2n1,AFSZIPGMVHZRTD-UHFFFAOYSA-N
rxn:1:55948:18187,CC(C)c1cnn(-c2ccc(-c3cn(CCI)nn3)cc2)c1N,IKIRJCWLMRXKSU-UHFFFAOYSA-N
rxn:1:57047:39015,Brc1cc(CCCn2cc(-c3cc4[nH]ncc4cn3)nn2)sc1Br,LUVDTVYIGVSIDC-UHFFFAOYSA-N
rxn:1:57552:2089,Cc1csc(-c2cn(CCCc3ncc(Cl)nc3N)nn2)c1,QOUBWZYPJZTLCH-UHFFFAOYSA-N
rxn:1:58984:39089,Nc1cc(Cl)cnc1CCCCn1cc(-c2ccc(Br)s2)nn1,JGMDPKHEMHGBHK-UHFFFAOYSA-N
rxn:1:59900:28577,Cn1ccn2nc(C3CCC3)c(Cn3cc(C4(c5ccccc5F)CCC4)nn3)c12,KYWFRDLPMXIVTF-UHFFFAOYSA-N
rxn:1:59985:491,Cc1cnc(-c2cn([C@@H]3CC[C@H]3I)nn2)c(C)n1,SZXDYSCIVJVRJX-MWLCHTKSSA-N
rxn:1:62588:31305,NCc1cc(-c2cn(C3CCCC3I)nn2)ccn1,PEAJBNGEFHNRER-UHFFFAOYSA-N
rxn:1:62588:32050,C[C@H](N)c1ccc(-c2cn(C3CCCC3I)nn2)cc1O,AAXAMJMZBYQARS-VOALNZTBSA-N
rxn:1:62688:2081,CCC(C)C(N)c1cn(-c2cc(I)cc(I)c2I)nn1,JFOBLEYBVZOWOZ-UHFFFAOYSA-N
rxn:1:62688:27779,Cc1nc(-c2cn(-c3cc(I)cc(I)c3I)nn2)nc2[nH]cnc12,BKLZERBBWGDENJ-UHFFFAOYSA-N
rxn:1:63757:32049,COc1cc(-c2cn(Cc3ccc(Cl)s3)nn2)cnc1CN,LJSBSNWUWRQNTI-UHFFFAOYSA-N
rxn:1:65672:20594,Cc1cc(C=CCn2cc(-c3cnc(Cl)cc3N)nn2)cs1,IZHAEZSKGXXYJT-UHFFFAOYSA-N
rxn:1:41426:23723,Ic1ccccc1-n1cc(C2C3CNCC32)nn1,ZENMNCILOPADDG-UHFFFAOYSA-N
rxn:1:41865:31520,Nc1c(Cl)cncc1-c1cn(CC=Cc2ccc(I)o2)nn1,FDLAEVKKBMNCCF-UHFFFAOYSA-N
rxn:1:42304:2983,Clc1cncc(Cl)c1C#CCn1cc(Cc2ccc(Br)s2)nn1,KZQDDSFUJPDSGJ-UHFFFAOYSA-N
rxn:1:42361:2983,Nc1nnc(Cl)cc1C#CCn1cc(Cc2ccc(Br)s2)nn1,SIEOIPISHSIBMX-UHFFFAOYSA-N
rxn:1:43719:2196,CN1CCCCC1c1cn(-c2ccc(Cl)c(I)c2)nn1,VUQSCHUZMPLLFH-UHFFFAOYSA-N
rxn:1:43730:7755,CC1(c2cn(-c3ccc(Br)cc3I)nn2)CCCN1,JQNCKGSYIFWFGJ-UHFFFAOYSA-N
rxn:1:49433:388,Cc1ncc(-c2cn(C3(CI)CNC3)nn2)c(C)c1Cl,VPDQUAZVMLOOII-UHFFFAOYSA-N
rxn:1:49433:4564,Clc1ccc(OCc2cn(C3(CI)CNC3)nn2)c(Br)c1,BZPORFWJJZKMED-UHFFFAOYSA-N
rxn:1:50513:3733,Cc1ncc(N)cc1-c1cn(CCCCCI)nn1,RZIAAKGIMLUZLR-UHFFFAOYSA-N
rxn:1:53562:39024,Oc1ccc(-c2cn(Cc3ccc(Br)cc3I)nn2)cn1,NXMQNVFQONRSAL-UHFFFAOYSA-N
rxn:1:54959:39297,Cc1noc(N)c1-c1cn(CC2CC2c2ccsc2Cl)nn1,KEXDQTJUCUQWND-UHFFFAOYSA-N
rxn:1:57011:32091,N#Cc1ccc(N)c(-c2cn(CCCc3cscc3Br)nn2)c1,DHDOSRLSMKLFTG-UHFFFAOYSA-N
rxn:1:57013:31438,N#Cc1cnc(N)c(-c2cn(CCCc3ccc(Br)s3)nn2)c1,QQPRNRPMYIZVNV-UHFFFAOYSA-N
rxn:1:58686:38802,Nc1ccc(-c2cn(CCCCc3ccsc3Cl)nn2)nc1,MJNXSDNULNAURX-UHFFFAOYSA-N
rxn:1:58687:38802,Nc1ccc(-c2cn(CCCCc3cscc3Br)nn2)nc1,GFLROZLWRQXLKL-UHFFFAOYSA-N
rxn:1:58691:31438,N#Cc1cnc(N)c(-c2cn(CCCCc3sccc3Cl)nn2)c1,IYXDAIMQDNSQPP-UHFFFAOYSA-N
rxn:1:59381:33330,CS(=O)(=O)N(Cc1cn(CCCCc2ccc3ccccc3n2)nn1)Cc1ccccc1Cl,DVWDPNWSFITKKT-UHFFFAOYSA-N
rxn:1:59847:2508,Cc1nc(F)ccc1-c1cn([C@@H]2CCCCC[C@H]2I)nn1,WWBKZWRLODHQDS-TZMCWYRMSA-N
rxn:1:59915:387,Cc1cc(C)c(-c2cn(Cc3sc(Br)cc3Br)nn2)c(Cl)n1,JIUJSAIXHPLEDN-UHFFFAOYSA-N
rxn:1:59985:31195,I[C@@H]1CC[C@H]1n1cc(-c2ccc3c(c2)CNC3)nn1,GMWXYXLXEQJECA-TZMCWYRMSA-N
rxn:1:61827:7252,CC(C)[C@H](N)c1cn(-c2ccc(I)c(Br)c2)nn1,RNNBBYIPVARTOM-LBPRGKRZSA-N
rxn:1:63670:28642,NC1CCc2cc(-c3cn(Cc4ccc(Br)s4)nn3)ccc21,MUFYMQHARMDMNZ-UHFFFAOYSA-N
rxn:1:65609:23723,Brc1cc(Br)c(-n2cc(C3C4CNCC43)nn2)c(Br)c1,OHPQOVZFTDKOGH-UHFFFAOYSA-N
rxn:1:41426:31195,Ic1ccccc1-n1cc(-c2ccc3c(c2)CNC3)nn1,CTCRDEBWQWLOSI-UHFFFAOYSA-N
rxn:1:41711:31399,N[C@@H]1CCC[C@@H]1Cc1cn(-c2ccc(I)cc2Br)nn1,YSBZLZMFCQSIHU-NOZJJQNGSA-N
rxn:1:41711:3871,Cc1nc(C(F)(F)F)nc(N)c1-c1cn(-c2ccc(I)cc2Br)nn1,IMEDLZMGCCSRLV-UHFFFAOYSA-N
rxn:1:41711:38875,Cc1cc(O)ccc1-c1cn(-c2ccc(I)cc2Br)nn1,KDUXGHVAZCLERF-UHFFFAOYSA-N
rxn:1:41718:3414,NC1(Cc2cn(-c3cc(Br)ccc3I)nn2)CC1,CPAYXFCCUDTLTH-UHFFFAOYSA-N
rxn:1:41917:27779,Cc1sccc1C#CCn1cc(-c2nc(C)c3nc[nH]c3n2)nn1,OJAQKVIKRWWJIL-UHFFFAOYSA-N
rxn:1:41917:582,Cc1cc2[nH]ccc2nc1-c1cn(CC#Cc2ccsc2C)nn1,FOSWDVFEIAXIIC-UHFFFAOYSA-N
rxn:1:41923:31469,Cc1ncc(-c2cn(CC#Cc3ccsc3Cl)nn2)cc1N,ISBSIFUFLYDXJC-UHFFFAOYSA-N
rxn:1:43108:38880,CSc1ccc(-c2cn(CC3CC4(CCNCC4)CO3)nn2)cc1,RGHDGCCGUHJQMX-UHFFFAOYSA-N
rxn:1:43675:2140,NC1(C(=O)c2cn(-c3cccc(Br)c3Cl)nn2)CC1,ONXRDCPBGPBCIQ-UHFFFAOYSA-N
rxn:1:43730:1825,Cc1cc(N)ncc1-c1cn(-c2ccc(Br)cc2I)nn1,JFCWSUWIRWRMHQ-UHFFFAOYSA-N
rxn:1:49433:32494,C[C@H](N)c1ccc(-c2cn(C3(CI)CNC3)nn2)cc1Cl,IWIADUFBENGJSD-VIFPVBQESA-N
rxn:1:52218:31588,Cc1nc(C#N)ccc1-c1cn(C2CCCC=C2Br)nn1,PHMHWQRLYBXZGF-UHFFFAOYSA-N
rxn:1:53095:31431,Oc1ccc2ncc(-c3cn(CCCBr)nn3)cc2c1,AAEMGRUTNOKKHN-UHFFFAOYSA-N
rxn:1:54959:37700,N[C@H]1C=C(c2cn(CC3CC3c3ccsc3Cl)nn2)CC1,DCPXMCTUNNGYDO-QWKFWESOSA-N
rxn:1:57009:1853,Cc1cscc1CCCn1cc(-c2cnc(N)c(Br)c2)nn1,BPPYJVVQJKPLPX-UHFFFAOYSA-N
rxn:1:57010:31438,N#Cc1cnc(N)c(-c2cn(CCCc3ccsc3Cl)nn2)c1,QACKXTYNYLKLLX-UHFFFAOYSA-N
rxn:1:57010:32091,N#Cc1ccc(N)c(-c2cn(CCCc3ccsc3Cl)nn2)c1,UWCSOVPKYDVXFC-UHFFFAOYSA-N
rxn:1:57043:391,Cc1cc(-c2cn(CCCc3csc(Br)n3)nn2)cn2ccnc12,NLUSKKXOBHZVCY-UHFFFAOYSA-N
rxn:1:58686:38927,Nc1cnc(-c2cn(CCCCc3ccsc3Cl)nn2)cn1,KWUHYOMRLHSKHL-UHFFFAOYSA-N
rxn:1:60214:24238,NCC1CCC(n2cc(-c3cc(Br)ccc3I)nn2)CC1,AYTJPKVSIMFNKY-UHFFFAOYSA-N
rxn:1:61797:11768,NC[C@H]1CC[C@@H](c2cn(-c3cccc(F)c3Br)nn2)CC1,KMSTWYWLUXXFTJ-PHIMTYICSA-N
rxn:1:62140:22862,CCCc1nn(-c2cncc(-c3cn(C(F)F)nn3)c2)c(I)c1I,KYPHIYPYRITJOZ-UHFFFAOYSA-N
rxn:1:62588:2818,COc1ccc(-c2cn(C3CCCC3I)nn2)c(Br)c1O,XKFPXBDIWHQVDO-UHFFFAOYSA-N
rxn:1:65673:31469,Cc1ncc(-c2cn(CC=Cc3ccsc3C)nn2)cc1N,PTFXZHVKQJNHER-UHFFFAOYSA-N
rxn:1:41426:27779,Cc1nc(-c2cn(-c3ccccc3I)nn2)nc2[nH]cnc12,VPAQESLOAZLXNL-UHFFFAOYSA-N
rxn:1:41514:31588,Cc1nc(C#N)ccc1-c1cn(-c2cc(Cl)c(Cl)cc2Cl)nn1,RUEWNBNUABXBQO-UHFFFAOYSA-N
rxn:1:41711:557,N[C@H](CO)Cc1cn(-c2ccc(I)cc2Br)nn1,OWGKKKRWCNHEIT-QMMMGPOBSA-N
rxn:1:41905:2836,NC1CC1c1ccc(-c2cn(CC#Cc3cccs3)nn2)cc1,HTIMOXYMBPCMQS-UHFFFAOYSA-N
rxn:1:42358:24238,NCc1cccc(-n2cc(-c3cc(Br)ccc3I)nn2)c1,ANKUNXVDYDNXQR-UHFFFAOYSA-N
rxn:1:43730:31588,Cc1nc(C#N)ccc1-c1cn(-c2ccc(Br)cc2I)nn1,NTUDDSXBQBMYSC-UHFFFAOYSA-N
rxn:1:47710:38536,NC1(Cc2cn(-c3nccc4c(I)c[nH]c34)nn2)CCC1,WCXOYLDUNHAIMF-UHFFFAOYSA-N
rxn:1:49157:32094,CCOCC(CO)n1cc(-c2ccc3nc(N)sc3c2)nn1,TWVMAWPGSNIHGK-UHFFFAOYSA-N
rxn:1:49585:27875,CSCCn1cc(-c2ccc3nc(C)cc(C)c3c2)nn1,PRNHLQADIFEHEU-UHFFFAOYSA-N
rxn:1:50513:3191,NCC(=O)c1ccc(-c2cn(CCCCCI)nn2)cc1,DLXOUHQLYAXCPR-UHFFFAOYSA-N
rxn:1:52896:37717,Cc1ccc(Cn2cc(-c3cnc4[nH]nc(C)c4c3)nn2)s1,CPNCPOXMZMNODB-UHFFFAOYSA-N
rxn:1:53017:20555,Nc1c(-c2cn(CCCc3ccsc3)nn2)cnc(Cl)c1I,BVDTWALPQQSUHA-UHFFFAOYSA-N
rxn:1:53017:38802,Nc1ccc(-c2cn(CCCc3ccsc3)nn2)nc1,RKNDNAUCJCKKIM-UHFFFAOYSA-N
rxn:1:53562:1954,CNc1ncc(-c2cn(Cc3ccc(Br)cc3I)nn2)cn1,ODKMMUNZBZWIIV-UHFFFAOYSA-N
rxn:1:53562:2047,N[C@H](CO)c1ccc(-c2cn(Cc3ccc(Br)cc3I)nn2)cc1,PGNRGMMZOAVYJS-MRXNPFEDSA-N
rxn:1:53562:39052,C[C@H](N)c1cn(Cc2ccc(Br)cc2I)nn1,BYBNLCHFFSGNBR-ZETCQYMHSA-N
rxn:1:57013:3915,Oc1ncc(-c2cn(CCCc3ccc(Br)s3)nn2)cc1F,WLYMQFYBCAJXEQ-UHFFFAOYSA-N
rxn:1:59847:30464,Cc1nn(C)cc1-c1cn([C@@H]2CCCCC[C@H]2I)nn1,HIXJELFXZGJOSR-TZMCWYRMSA-N
rxn:1:59915:3733,Cc1ncc(N)cc1-c1cn(Cc2sc(Br)cc2Br)nn1,RDGZHRHHGSUMSJ-UHFFFAOYSA-N
rxn:1:59985:37764,Cc1nc2ccc(-c3cn([C@@H]4CC[C@H]4I)nn3)cc2o1,QTWFOEBJCWDOAF-ZWNOBZJWSA-N
rxn:1:61827:7346,Cc1nc(N)ccc1-c1cn(-c2ccc(I)c(Br)c2)nn1,HOBNUTZTZZAGLZ-UHFFFAOYSA-N
rxn:1:62688:38326,Cc1cc(-c2cn(-c3cc(I)cc(I)c3I)nn2)ccn1,BKOFBKKEUQIWTN-UHFFFAOYSA-N
rxn:1:65609:23101,CC1(C)CNCC1c1cn(-c2c(Br)cc(Br)cc2Br)nn1,VNANFQWJSXEJKT-UHFFFAOYSA-N
rxn:1:65675:20594,Cc1ccc(C=CCn2cc(-c3cnc(Cl)cc3N)nn2)s1,LUIHBFXVGRYGPQ-UHFFFAOYSA-N
rxn:1:41711:6548,CNCC(C)(C)Cc1cn(-c2ccc(I)cc2Br)nn1,CBOLLKIIBYQJTO-UHFFFAOYSA-N
rxn:1:41816:1825,Cc1cc(N)ncc1-c1cn(-c2cc(Cl)ccc2Br)nn1,VGOIHKXDRNVOEU-UHFFFAOYSA-N
rxn:1:41904:2672,NCC=Cc1cccc(-c2cn(CC#Cc3ccsc3)nn2)c1,OIHLDPMBHPEWKP-UHFFFAOYSA-N
rxn:1:41904:2995,Clc1cncc(Cl)c1-c1cn(CC#Cc2ccsc2)nn1,DQQHEYZEVOOZAU-UHFFFAOYSA-N
rxn:1:41904:31937,Cc1cc(Cl)ncc1-c1cn(CC#Cc2ccsc2)nn1,XXDLMTSLVBIBCS-UHFFFAOYSA-N
rxn:1:41917:31927,Cc1sccc1C#CCn1cc(-c2cncnc2N)nn1,JEGPMCVVUCIDIB-UHFFFAOYSA-N
rxn:1:43683:31454,Nc1nc(Cl)ncc1-c1cn(CC#Cc2cc(Cl)ncc2Br)nn1,VUIRCAWBJPJGLJ-UHFFFAOYSA-N
rxn:1:43730:31836,Cc1cc(C#N)ncc1-c1cn(-c2ccc(Br)cc2I)nn1,PHUQWVOQIAKMRY-UHFFFAOYSA-N
rxn:1:49432:2534,CCNc1cc(-c2cn(C3(CI)CCNC3)nn2)ccn1,WQGIXCLYZUEHMW-UHFFFAOYSA-N
rxn:1:49433:28803,SCCC1CC1c1ccc(-c2cn(C3(CI)CNC3)nn2)cc1,HOGWTUXLGPYOFJ-UHFFFAOYSA-N
rxn:1:49433:28880,SCC1CC1c1cccc(-c2cn(C3(CI)CNC3)nn2)c1,IPOOXPDPVIUAOQ-UHFFFAOYSA-N
rxn:1:50513:3313,N#Cc1cc(-c2cn(CCCCCI)nn2)c(N)cc1F,NYNKQOPDSOUZFU-UHFFFAOYSA-N
rxn:1:54938:37717,Cc1n[nH]c2ncc(-c3cn(CC4CC4c4cccs4)nn3)cc12,PANBJTXXYMYNKS-UHFFFAOYSA-N
rxn:1:57004:38802,Cc1sccc1CCCn1cc(-c2ccc(N)cn2)nn1,LODOSFJXYHEFSY-UHFFFAOYSA-N
rxn:1:57010:31397,O=C1Cc2cc(-c3cn(CCCc4ccsc4Cl)nn3)ccc2N1,DBYOQMLXMIAYGH-UHFFFAOYSA-N
rxn:1:57010:31520,Nc1c(Cl)cncc1-c1cn(CCCc2ccsc2Cl)nn1,UQZZUBBVGIHCHY-UHFFFAOYSA-N
rxn:1:58687:39923,Nc1ccc(-c2cn(CCCCc3cscc3Br)nn2)nn1,AJXJEMWMKBSOTM-UHFFFAOYSA-N
rxn:1:58688:31438,N#Cc1cnc(N)c(-c2cn(CCCCc3ccc(Cl)s3)nn2)c1,MSBDLWRIBBXVQP-UHFFFAOYSA-N
rxn:1:59915:2180,CSCC(N)c1cn(Cc2sc(Br)cc2Br)nn1,SUPSVKWJSKMDRV-UHFFFAOYSA-N
rxn:1:60071:3404,Cc1cc(-n2cc(C(C)(O)C(F)F)nn2)cc(C)c1I,RXLMSWOZVDKRHV-UHFFFAOYSA-N
rxn:1:61827:12164,COC1(c2cn(-c3ccc(I)c(Br)c3)nn2)CNC1,RYKLUPFUBHIUMA-UHFFFAOYSA-N
rxn:1:61827:2228,NC(c1cn(-c2ccc(I)c(Br)c2)nn1)C1CCC1,VYQZUTXOAQLCIG-UHFFFAOYSA-N
rxn:1:64016:7145,COc1ccc2c(c1)CCC1C2CCC2(C)C1CCC2(O)c1cn(Cc2csc(C)n2)nn1,VBMJDTPSMARAPP-UHFFFAOYSA-N
rxn:1:65661:1858,C(=Cc1ccsc1)Cn1cc(-c2cnc3cccnc3c2)nn1,ZKPQYYFCPAYGCZ-UHFFFAOYSA-N
rxn:1:41711:32354,Nc1cnc(-c2cn(-c3ccc(I)cc3Br)nn2)c(Br)n1,RESYTXIVKBZMQL-UHFFFAOYSA-N
rxn:1:41921:1853,Cc1cscc1C#CCn1cc(-c2cnc(N)c(Br)c2)nn1,WCQBVKUZWQTHAR-UHFFFAOYSA-N
rxn:1:42186:1421,Nc1cc(Cl)ncc1C#CCn1cc(-c2ccc(F)c(Br)c2)nn1,KOCLRJGNDUMKCO-UHFFFAOYSA-N
rxn:1:42390:17835,O=C(NCCc1cn(CC#Cc2cc(F)c(Cl)c(Cl)c2)nn1)c1ccccc1,QBCAQRCCNHEQEY-UHFFFAOYSA-N
rxn:1:50513:23539,Nc1c(-c2cn(CCCCCI)nn2)oc2nccnc12,XJVBSTBZZYNQMH-UHFFFAOYSA-N
rxn:1:50513:2955,Clc1ccc2c(-c3cn(CCCCCI)nn3)c[nH]c2c1,GEUCUONDGVTVKU-UHFFFAOYSA-N
rxn:1:51788:37737,Clc1ccc2c(-c3cn(CC4CC=CC4)nn3)c[nH]c2n1,IHCYGALTHZECPH-UHFFFAOYSA-N
rxn:1:53562:2992,NC(CO)c1ccc(-c2cn(Cc3ccc(Br)cc3I)nn2)cc1,PGNRGMMZOAVYJS-UHFFFAOYSA-N
rxn:1:53562:38803,Nc1ccncc1-c1cn(Cc2ccc(Br)cc2I)nn1,RMPDRUMOOVHEKX-UHFFFAOYSA-N
rxn:1:55132:1881,Brc1cccc2c1CCC2n1cc(-c2cnc3scnc3c2)nn1,PQMACKPIIBSWFD-UHFFFAOYSA-N
rxn:1:57010:37737,Clc1ccc2c(-c3cn(CCCc4ccsc4Cl)nn3)c[nH]c2n1,FYUCZAGOTXZDFW-UHFFFAOYSA-N
rxn:1:57011:31445,Cc1cc(N)cc(-c2cn(CCCc3cscc3Br)nn2)c1,GKVHVQKOVIFTFT-UHFFFAOYSA-N
rxn:1:57012:23656,Clc1ccc(CCCn2cc(-c3c[nH]c4ncncc34)nn2)s1,XMKKACYKPYOSDO-UHFFFAOYSA-N
rxn:1:57017:8718,Cc1cc(-c2cn(CCCc3sccc3Br)nn2)cnc1N,YPUINPUJKDBGDX-UHFFFAOYSA-N
rxn:1:58686:39923,Nc1ccc(-c2cn(CCCCc3ccsc3Cl)nn2)nn1,AFDGUDDLXFXIDA-UHFFFAOYSA-N
rxn:1:59915:7442,CC(CN)(CO)Cc1cn(Cc2sc(Br)cc2Br)nn1,JPGINGVCSGKUPG-UHFFFAOYSA-N
rxn:1:59985:31436,O=Cc1cc(-c2cn([C@@H]3CC[C@H]3I)nn2)ccn1,IQCXJZGNKVYQPG-ZYHUDNBSSA-N
rxn:1:59985:37729,CSc1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cn1,RLMAILFCKLNACG-MWLCHTKSSA-N
rxn:1:60071:3947,Cc1cc(-n2cc(-c3c(C)nc(Cl)nc3N)nn2)cc(C)c1I,JDBJNGXWHCHESJ-UHFFFAOYSA-N
rxn:1:60071:732,Cc1cc(-n2cc(C[C@H](O)CCl)nn2)cc(C)c1I,UVNDHBCQBJPJJV-LBPRGKRZSA-N
rxn:1:62178:2983,Brc1ccc(Cc2cn(-c3ccc4c(c3)CNCC4)nn2)s1,BHYGIRMPRCWMDG-UHFFFAOYSA-N
rxn:1:62688:2235,NC1(CC(=O)c2cn(-c3cc(I)cc(I)c3I)nn2)CC1,FRPJNIBMCJEJSB-UHFFFAOYSA-N
rxn:1:62688:38608,Nc1ccc(-c2cn(-c3cc(I)cc(I)c3I)nn2)cn1,XDFLVTLVQMXKAP-UHFFFAOYSA-N
rxn:1:62688:3870,CC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CCCNC1,VZTNNHUYQKPXCF-UHFFFAOYSA-N
rxn:1:65438:31425,Cc1cc(N)c(-c2cn(Cc3ccc(I)c(Cl)c3)nn2)cn1,VYNHESHZSMTWOP-UHFFFAOYSA-N
rxn:1:41613:3699,Cc1c(N)cncc1-c1cn(-c2cc(Br)ccc2Br)nn1,JEWPDCQFXKEPHP-UHFFFAOYSA-N
rxn:1:41723:31750,CC(C)(O)[C@@H](N)c1ccc(-c2cn(-c3ccc(F)cc3I)nn2)cc1,WICNOWJZYSEIQZ-KRWDZBQOSA-N
rxn:1:41774:31454,Nc1nc(Cl)ncc1-c1cn(CC=Cc2cc(I)c[nH]2)nn1,JTDHBXVOOWXFDZ-UHFFFAOYSA-N
rxn:1:41921:23656,Cc1cscc1C#CCn1cc(-c2c[nH]c3ncncc23)nn1,KEDCTHFOVURFAZ-UHFFFAOYSA-N
rxn:1:41921:2836,Cc1cscc1C#CCn1cc(-c2ccc(C3CC3N)cc2)nn1,MRINNTRHMCBCQD-UHFFFAOYSA-N
rxn:1:42234:2756,Cc1cc(Br)c(-c2cn(CC#Cc3cnc(Cl)nc3Cl)nn2)s1,AFISBDQHEAOCPH-UHFFFAOYSA-N
rxn:1:43730:39373,CC(N)Cc1cn(-c2ccc(Br)cc2I)nn1,CTLFJYMNVIMUGN-UHFFFAOYSA-N
rxn:1:49433:24341,CNC1CC1c1ccc(-c2cn(C3(CI)CNC3)nn2)cc1,APJXPKBZIJXTRA-UHFFFAOYSA-N
rxn:1:50513:31943,NC(=O)c1ccc(-c2cn(CCCCCI)nn2)cn1,XHTMLUQOLLIIMV-UHFFFAOYSA-N
rxn:1:50513:32512,Clc1c(-c2cn(CCCCCI)nn2)ccnc1NC1CC1,VBSKDEOZRJPUKL-UHFFFAOYSA-N
rxn:1:51755:2983,CN1CCc2cc(-n3cc(Cc4ccc(Br)s4)nn3)ccc2C1,WNMFVKGIQFOOSF-UHFFFAOYSA-N
rxn:1:53017:3803,Cc1cc(-c2cn(CCCc3ccsc3)nn2)ccc1N,YLJLLGZEOYBPDX-UHFFFAOYSA-N
rxn:1:55948:28931,NCCCc1ccc(-c2cn(CCI)nn2)cc1,QVJXLLOMLMFFDB-UHFFFAOYSA-N
rxn:1:57009:3915,Cc1cscc1CCCn1cc(-c2cnc(O)c(F)c2)nn1,YGDWAOPZRNYOEH-UHFFFAOYSA-N
rxn:1:57010:39297,Cc1noc(N)c1-c1cn(CCCc2ccsc2Cl)nn1,PKWVJDWVZGIVEA-UHFFFAOYSA-N
rxn:1:57013:29580,Cc1ccc(-c2cn(CCCc3ccc(Br)s3)nn2)c(N)n1,AGBGTTYKCIINFA-UHFFFAOYSA-N
rxn:1:58717:31438,N#Cc1cnc(N)c(-c2cn(CCCCc3nc(Br)cs3)nn2)c1,DWLNPXQSRUOZTJ-UHFFFAOYSA-N
rxn:1:59753:1881,COc1ccc(-n2cc(-c3cnc4scnc4c3)nn2)c(C)c1,YMPAIUQVBMCFIS-UHFFFAOYSA-N
rxn:1:59847:23646,CC(=O)c1cncc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)c1,NUWABGROWNLREM-GDBMZVCRSA-N
rxn:1:59915:14361,Cc1c(-c2cn(Cc3sc(Br)cc3Br)nn2)cnc2cccnc12,IYRFHJNPTVSQNF-UHFFFAOYSA-N
rxn:1:61827:3819,C[C@@H](N)c1cn(-c2ccc(I)c(Br)c2)nn1,WTNWHSSXYOQFFC-ZCFIWIBFSA-N
rxn:1:62688:2162,NC1(C(=O)c2cn(-c3cc(I)cc(I)c3I)nn2)CCOC1,RNZBKDYDWPVRBV-UHFFFAOYSA-N
rxn:1:62688:23898,NC1CC(Cc2cn(-c3cc(I)cc(I)c3I)nn2)C1,PQUCUEQXYKFWJV-UHFFFAOYSA-N
rxn:1:65677:38682,Cc1cscc1C=CCn1cc(-c2cnc3nc[nH]c3c2)nn1,UKFTXEXZHOEVMU-UHFFFAOYSA-N
rxn:1:41711:28642,NC1CCc2cc(-c3cn(-c4ccc(I)cc4Br)nn3)ccc21,DUOQXZLLCWFWDT-UHFFFAOYSA-N
rxn:1:41711:35023,CC1CN(C)CCC1(O)c1cn(-c2ccc(I)cc2Br)nn1,AURQIQWDMJQNEW-UHFFFAOYSA-N
rxn:1:41718:2058,NC1(c2cn(-c3cc(Br)ccc3I)nn2)CCOC1,LADJJOAKYVPOSU-UHFFFAOYSA-N
rxn:1:41847:3803,Cc1cc(-c2cn(CC=Cc3cscc3Br)nn2)ccc1N,AYBKZIPXIQRRPY-UHFFFAOYSA-N
rxn:1:41905:31853,Clc1cc2nc(-c3cn(CC#Cc4cccs4)nn3)ccc2cn1,TYXHHZONMWXOSM-UHFFFAOYSA-N
rxn:1:41923:31054,Nc1ncnc2c1ncn2-c1cn(CC#Cc2ccsc2Cl)nn1,CSZKGKMCKFPZRQ-UHFFFAOYSA-N
rxn:1:42029:23085,Cc1ccc(-n2cc(C34CCC3CNC4)nn2)cc1I,RYLMPPPGVWWSSQ-UHFFFAOYSA-N
rxn:1:43680:38726,Nc1nc(Cl)cnc1-c1cn(CC#Cc2cc(Br)cnc2Cl)nn1,FXBURGUTTGJGEX-UHFFFAOYSA-N
rxn:1:43730:11741,NCC1CC1c1cn(-c2ccc(Br)cc2I)nn1,BTTVHTMMOQZVLJ-UHFFFAOYSA-N
rxn:1:43756:31195,Fc1cc(I)ccc1-n1cc(-c2ccc3c(c2)CNC3)nn1,AIXRAGABNNTGMF-UHFFFAOYSA-N
rxn:1:44447:39292,CSCc1cn(CCC#Cc2ccc(N)c(C)c2Cl)nn1,AACVNDAATOZMCF-UHFFFAOYSA-N
rxn:1:54938:31438,N#Cc1cnc(N)c(-c2cn(CC3CC3c3cccs3)nn2)c1,RHSXYBVPZJHNTG-UHFFFAOYSA-N
rxn:1:55948:29231,Cc1cncc(-c2cccc(-c3cn(CCI)nn3)c2)c1,ITLYJJYZSXTRLF-UHFFFAOYSA-N
rxn:1:55948:3091,NCC1CC1c1ccc(-c2cn(CCI)nn2)cc1,RZNWCCXJOXFQKD-UHFFFAOYSA-N
rxn:1:57011:31498,COc1cc(-c2cn(CCCc3cscc3Br)nn2)cnc1Cl,JPEUPLJNBBJYCV-UHFFFAOYSA-N
rxn:1:57013:27779,Cc1nc(-c2cn(CCCc3ccc(Br)s3)nn2)nc2[nH]cnc12,DXDKWZBIGGKXJY-UHFFFAOYSA-N
rxn:1:57043:32016,NCc1ccc(-c2cn(CCCc3csc(Br)n3)nn2)c(Cl)c1,HNSUVIUQCVDZJS-UHFFFAOYSA-N
rxn:1:57064:31438,Cc1cc(CCCn2cc(-c3cc(C#N)cnc3N)nn2)sc1Br,NQVLSCAEGBGDLF-UHFFFAOYSA-N
rxn:1:58686:20594,Nc1cc(Cl)ncc1-c1cn(CCCCc2ccsc2Cl)nn1,AWIWJLUAGQXYEQ-UHFFFAOYSA-N
rxn:1:59830:31333,Cc1cc(N)cnc1-c1cn(Cc2ccc(Br)o2)nn1,OJJLXVNTZURQNM-UHFFFAOYSA-N
rxn:1:61827:258,Cn1cnnc1Cc1cn(-c2ccc(I)c(Br)c2)nn1,DAHPNEZDWYPGEE-UHFFFAOYSA-N
rxn:1:61827:7253,CC(C)[C@@H](N)c1cn(-c2ccc(I)c(Br)c2)nn1,RNNBBYIPVARTOM-GFCCVEGCSA-N
rxn:1:62688:28697,O[C@H]1CN[C@H](c2cn(-c3cc(I)cc(I)c3I)nn2)C1,PZPXTPSHXZDGDJ-APPZFPTMSA-N
rxn:1:62688:491,Cc1cnc(-c2cn(-c3cc(I)cc(I)c3I)nn2)c(C)n1,YNKWLFJNNVBGAT-UHFFFAOYSA-N
rxn:1:65306:7772,Brc1ccc2c(-c3cn(Cc4cccs4)nn3)c[nH]c2c1,PNDWTVOYCZMXNP-UHFFFAOYSA-N
rxn:1:65609:23623,CC(c1cn(-c2c(Br)cc(Br)cc2Br)nn1)n1ccnc1,KDIZAIMHOSZXFX-UHFFFAOYSA-N
rxn:1:65675:31520,Cc1ccc(C=CCn2cc(-c3cncc(Cl)c3N)nn2)s1,VNPCWURWTSTECS-UHFFFAOYSA-N
rxn:1:40117:2983,Nc1ncc(C=CCn2cc(Cc3ccc(Br)s3)nn2)cc1O,GBZSWGHZAZYZEO-UHFFFAOYSA-N
rxn:1:41487:3313,Cc1ccc(-n2cc(-c3cc(C#N)c(F)cc3N)nn2)c(Br)c1,CYQAAQAWHAUZFT-UHFFFAOYSA-N
rxn:1:41711:31609,CNC[C@H](C)c1ccc(-c2cn(-c3ccc(I)cc3Br)nn2)cc1,QDRCDCZRUABNOE-LBPRGKRZSA-N
rxn:1:41718:39367,CNC(C)c1cn(-c2cc(Br)ccc2I)nn1,XKITUMYPEBHARE-UHFFFAOYSA-N
rxn:1:41789:31836,Cc1cc(C#N)ncc1-c1cn(CC=Cc2ccc(Br)s2)nn1,LMRZLMLVGNBSDJ-UHFFFAOYSA-N
rxn:1:41916:31821,Cc1cc(C#CCn2cc(-c3cnc(C#N)c(Cl)c3)nn2)cs1,IORQAFFGWUSJKF-UHFFFAOYSA-N
rxn:1:41918:2042,C[C@]1(c2cn(-c3ccc(Cl)cc3I)nn2)CCCN1,VBODPWFXJBARQU-CYBMUJFWSA-N
rxn:1:41921:8798,Cc1cscc1C#CCn1cc(-c2cccc(CN)c2)nn1,ZPXGICXUXIQYEB-UHFFFAOYSA-N
rxn:1:41923:31168,Cc1cnc(-c2cn(CC#Cc3ccsc3Cl)nn2)cc1N,VJILAPHZMUPJGV-UHFFFAOYSA-N
rxn:1:41923:39006,Cc1cc(F)cnc1-c1cn(CC#Cc2ccsc2Cl)nn1,RMIQNZWPICTYTQ-UHFFFAOYSA-N
rxn:1:43730:2666,Cc1ncncc1-c1cn(-c2ccc(Br)cc2I)nn1,UZIWIUIVPPQLJN-UHFFFAOYSA-N
rxn:1:49433:23520,Cc1ccnc2oc(-c3cn(C4(CI)CNC4)nn3)c(N)c12,AAUDYSUPEWJEPS-UHFFFAOYSA-N
rxn:1:49433:391,Cc1cc(-c2cn(C3(CI)CNC3)nn2)cn2ccnc12,AVZSWOFPDWDANX-UHFFFAOYSA-N
rxn:1:51755:340,CN1CCc2cc(-n3cc(Cc4cccs4)nn3)ccc2C1,SDKMQHKMACYMJF-UHFFFAOYSA-N
rxn:1:54965:31438,N#Cc1cnc(N)c(-c2cn(CC3CC3c3sccc3Br)nn2)c1,XAZQCLSHYYFAEO-UHFFFAOYSA-N
rxn:1:57043:20594,Nc1cc(Cl)ncc1-c1cn(CCCc2csc(Br)n2)nn1,NKPKYPKJQPWFIW-UHFFFAOYSA-N
rxn:1:58661:39923,Nc1ccc(-c2cn(-c3cccc(CCCCS)c3)nn2)nn1,RDKKLXKVCSYJKJ-UHFFFAOYSA-N
rxn:1:58687:370,Cn1ncc(-c2cn(CCCCc3cscc3Br)nn2)c1N,MLXKOKIAVHGKEX-UHFFFAOYSA-N
rxn:1:59931:23101,CC1(C)CNCC1c1cn(-c2ccc(Br)c(Cl)c2Cl)nn1,MBTQEFXKFGGLIW-UHFFFAOYSA-N
rxn:1:59985:39017,I[C@@H]1CC[C@H]1n1cc(-c2nccc3cn[nH]c23)nn1,FUPFBGVDBFOVIS-PSASIEDQSA-N
rxn:1:59985:6216,CCCNc1cc(-c2cn([C@@H]3CC[C@H]3I)nn2)ncn1,XNGXOLCGFKBHEN-BXKDBHETSA-N
rxn:1:62178:6406,Cc1cc(Br)cnc1-c1cn(-c2ccc3c(c2)CNCC3)nn1,BXAYXXQCJSKMJW-UHFFFAOYSA-N
rxn:1:62588:1850,Fc1ccc2c(-c3cn(C4CCCC4I)nn3)n[nH]c2c1,AYEYOKJSLVVZFT-UHFFFAOYSA-N
rxn:1:62688:18043,FCCn1nc2c(c1-c1cn(-c3cc(I)cc(I)c3I)nn1)CNC2,JMLCMXOVLKQZSQ-UHFFFAOYSA-N
rxn:1:40845:31376,CNCCc1ccc(-c2cn(-c3cc(Cl)ccc3O)nn2)c(Cl)c1,MBGTVXNDJMUMBC-UHFFFAOYSA-N
rxn:1:41711:1826,CCc1cc(N)ncc1-c1cn(-c2ccc(I)cc2Br)nn1,JSZPESACSLCEJN-UHFFFAOYSA-N
rxn:1:41921:8678,Cc1cscc1C#CCn1cc(-c2cnc(C#N)c(C)c2)nn1,LFDUQWHOZWFREF-UHFFFAOYSA-N
rxn:1:41923:170,Cc1c(N)ccc(-c2cn(CC#Cc3ccsc3Cl)nn2)c1C,ZQSUOACOOBWEFZ-UHFFFAOYSA-N
rxn:1:42018:20594,Cc1ccc(I)cc1-n1cc(-c2cnc(Cl)cc2N)nn1,GPWCDWNMQLPUIA-UHFFFAOYSA-N
rxn:1:43730:23280,C[C@H](N)Cc1cn(-c2ccc(Br)cc2I)nn1,CTLFJYMNVIMUGN-ZETCQYMHSA-N
rxn:1:43730:28663,CC(C)(CCN)c1cn(-c2ccc(Br)cc2I)nn1,JULXHGZKSSLMDP-UHFFFAOYSA-N
rxn:1:47710:32128,CCC(c1cn(-c2nccc3c(I)c[nH]c23)nn1)C1CC1,LYVGEPYNYXGWPL-UHFFFAOYSA-N
rxn:1:48380:3803,Cc1cc(-c2cn(CC(O)C(O)c3cc(Br)cs3)nn2)ccc1N,UZXFEMWEDCDMIL-UHFFFAOYSA-N
rxn:1:51452:20555,CC1(C)CCC(=O)CC1n1cc(-c2cnc(Cl)c(I)c2N)nn1,OZWULZVGXDYJIR-UHFFFAOYSA-N
rxn:1:53095:28224,C[C@H](N)c1ccc(-c2cn(CCCBr)nn2)cc1,FKXXVMNFKCJBDC-JTQLQIEISA-N
rxn:1:53562:3265,CNC(C)Cc1cn(Cc2ccc(Br)cc2I)nn1,PVQQKLTUXHPOBK-UHFFFAOYSA-N
rxn:1:55320:340,Nc1ncc(Br)cc1C1CC1Cn1cc(Cc2cccs2)nn1,NNBUJHZNNIVXIR-UHFFFAOYSA-N
rxn:1:57014:39015,Brc1csc(CCCn2cc(-c3cc4[nH]ncc4cn3)nn2)c1,FHMOOKWYKGTHOO-UHFFFAOYSA-N
rxn:1:58687:39701,Nc1ccc(Cl)c(-c2cn(CCCCc3cscc3Br)nn2)c1,ATFSTGGPVGHGJJ-UHFFFAOYSA-N
rxn:1:59997:23584,CS[C@@H]1CCC[C@@H]1n1cc(-c2oc3ncc(Cl)cc3c2N)nn1,AOWNYUGZAHDLIN-NWDGAFQWSA-N
rxn:1:61827:28694,NC1(c2cn(-c3ccc(I)c(Br)c3)nn2)CCCCC1,FMZXWGCSRRFJCB-UHFFFAOYSA-N
rxn:1:62140:2079,CC(C)CC(N)c1cn(C(F)F)nn1,AXWPZZVFAAEZFY-UHFFFAOYSA-N
rxn:1:62178:8679,Cc1cc(Cl)cnc1-c1cn(-c2ccc3c(c2)CNCC3)nn1,KXLQPVAIAJWCLP-UHFFFAOYSA-N
rxn:1:62180:2983,Brc1ccc(Cc2cn(-c3ccc4cnccc4c3)nn2)s1,HBYCNNJTUTUEBP-UHFFFAOYSA-N
rxn:1:62588:7697,Cc1csc2c(-c3cn(C4CCCC4I)nn3)ncnc12,ONINCQSLUZJGMW-UHFFFAOYSA-N
rxn:1:63757:7772,Clc1ccc(Cn2cc(-c3c[nH]c4cc(Br)ccc34)nn2)s1,WSVVNHYYSKNKRP-UHFFFAOYSA-N
rxn:1:65677:39011,Cc1cscc1C=CCn1cc(-c2cnc3cn[nH]c3c2)nn1,FNEANQAYMHMYSY-UHFFFAOYSA-N
rxn:3:40746:7690:98272,CCc1cc(NC(=O)c2cccc(F)c2C=CCn2cc(-c3nc4c(SC)cccc4s3)nn2)ccc1C,OLCNCESYFBKRHZ-UHFFFAOYSA-N
rxn:1:39929:1429,Cc1n[nH]c(N)c1C=CCn1cc(-c2cc(Br)c(C)s2)nn1,AWCIXRCLLQULBF-UHFFFAOYSA-N
rxn:1:41613:31333,Cc1cc(N)cnc1-c1cn(-c2cc(Br)ccc2Br)nn1,GPCDARLEOOJZFJ-UHFFFAOYSA-N
rxn:1:41782:31425,Cc1cc(N)c(-c2cn(CC=Cc3cc(Br)c(Br)s3)nn2)cn1,ZSKJENOXSQDUJG-UHFFFAOYSA-N
rxn:1:41917:31438,Cc1sccc1C#CCn1cc(-c2cc(C#N)cnc2N)nn1,UYBYSSCOGMOVSO-UHFFFAOYSA-N
rxn:1:41921:32050,Cc1cscc1C#CCn1cc(-c2ccc([C@H](C)N)c(O)c2)nn1,QUISWMIZWZTIQI-ZDUSSCGKSA-N
rxn:1:42202:565,N#Cc1cncc(C#CCn2cc(-c3csc(Cl)c3)nn2)c1,FPEBCYXVOYSNJT-UHFFFAOYSA-N
rxn:1:42311:31454,Nc1nc(Cl)ncc1-c1cn(CC#Cc2cc(Cl)cnc2Cl)nn1,WDSDCCAMHCTQRB-UHFFFAOYSA-N
rxn:1:43730:39367,CNC(C)c1cn(-c2ccc(Br)cc2I)nn1,JETHFTGGMKHVSV-UHFFFAOYSA-N
rxn:1:47747:31525,CCc1ccncc1-c1cn(-c2ncc(Br)c3cc[nH]c23)nn1,OGWPEEWJXPVFCW-UHFFFAOYSA-N
rxn:1:49433:27964,BrCC=Cc1ccc(-c2cn(C3(CI)CNC3)nn2)cc1,KERXFQDHHVISFJ-UHFFFAOYSA-N
rxn:1:49433:38503,CCOc1ccc(-c2cn(C3(CI)CNC3)nn2)c(F)c1F,PENADWSBXUYNDT-UHFFFAOYSA-N
rxn:1:50513:31518,Cc1ncc(O)cc1-c1cn(CCCCCI)nn1,AOJIJNOAOOVMFC-UHFFFAOYSA-N
rxn:1:51755:2756,Cc1cc(Br)c(-c2cn(-c3ccc4c(c3)CCN(C)C4)nn2)s1,UUCCJHPSLYNLNC-UHFFFAOYSA-N
rxn:1:52741:20555,Nc1c(-c2cn(Cc3cccc(F)c3F)nn2)cnc(Cl)c1I,BQNBAXVMYLLSKD-UHFFFAOYSA-N
rxn:1:57004:1853,Cc1sccc1CCCn1cc(-c2cnc(N)c(Br)c2)nn1,RXVOSZGGXHGIKB-UHFFFAOYSA-N
rxn:1:59960:31376,CNCCc1ccc(-c2cn(-c3ccc(C#N)cc3Br)nn2)c(Cl)c1,IDMQUSWULMODLJ-UHFFFAOYSA-N
rxn:1:60049:23101,CC1(C)CNCC1c1cn(-c2cc(F)c(Br)cc2Cl)nn1,GCTQJEWFFOZPOU-UHFFFAOYSA-N
rxn:1:61827:7096,N[C@H]1CC[C@@H](c2cn(-c3ccc(I)c(Br)c3)nn2)C1,PGAWQKPJWSAWKI-BDAKNGLRSA-N
rxn:1:62322:2983,CNCCc1ccc(-n2cc(Cc3ccc(Br)s3)nn2)cc1,IMZYYCJFOASOHH-UHFFFAOYSA-N
rxn:1:62588:7127,FCCOc1ccc(-c2cn(C3CCCC3I)nn2)cn1,FHLFANHQXIUNTJ-UHFFFAOYSA-N
rxn:1:62688:2029,CN1CCCC(c2cn(-c3cc(I)cc(I)c3I)nn2)C1,IJVUNXSODXCSBL-UHFFFAOYSA-N
rxn:1:62688:257,Cn1ncnc1Cc1cn(-c2cc(I)cc(I)c2I)nn1,UJWUVSKNUKLTKV-UHFFFAOYSA-N
rxn:1:63757:7128,FC(F)COc1ccc(-c2cn(Cc3ccc(Cl)s3)nn2)cn1,UYHSCCIHDGKYAM-UHFFFAOYSA-N
rxn:1:65306:7776,Clc1cccc2c(-c3cn(Cc4cccs4)nn3)c[nH]c12,KYVUZZPYDCKUHI-UHFFFAOYSA-N
rxn:1:65328:39327,OC1(c2cn(CCBr)nn2)CCC1,MOZDRBLGCCZPCS-UHFFFAOYSA-N
rxn:1:40247:31376,CNCCc1ccc(-c2cn(-c3ccc(O)cc3)nn2)c(Cl)c1,VALPQSPLHCRKQP-UHFFFAOYSA-N
rxn:1:41904:31054,Nc1ncnc2c1ncn2-c1cn(CC#Cc2ccsc2)nn1,NABJPDFBYYRSGF-UHFFFAOYSA-N
rxn:1:41916:31054,Cc1cc(C#CCn2cc(-n3cnc4c(N)ncnc43)nn2)cs1,JGOZAASKBLZNKQ-UHFFFAOYSA-N
rxn:1:41921:3191,Cc1cscc1C#CCn1cc(-c2ccc(C(=O)CN)cc2)nn1,AGCNXKMPJVIKQS-UHFFFAOYSA-N
rxn:1:41923:23567,Nc1c(-c2cn(CC#Cc3ccsc3Cl)nn2)sc2c(I)cncc12,GNMXZZUUMUBRCZ-UHFFFAOYSA-N
rxn:1:42029:2058,Cc1ccc(-n2cc(C3(N)CCOC3)nn2)cc1I,WFIMXZRPWFIFGL-UHFFFAOYSA-N
rxn:1:42423:31376,CNCCc1ccc(-c2cn(-c3ccc(Cl)cc3O)nn2)c(Cl)c1,SFZQVPQWCJAEIY-UHFFFAOYSA-N
rxn:1:43628:20594,Nc1cc(Cl)ncc1-c1cn(CC#Cc2ncc(Br)cn2)nn1,LJXLEVYNUTZDRQ-UHFFFAOYSA-N
rxn:1:47710:24172,C[C@H]1CNC[C@@H]1c1cn(-c2nccc3c(I)c[nH]c23)nn1,UZXZJIFOOFLCQT-WPRPVWTQSA-N
rxn:1:54959:38869,COc1ccc(-c2cn(CC3CC3c3ccsc3Cl)nn2)cc1C#N,JWYIUNIEHWXDKX-UHFFFAOYSA-N
rxn:1:54992:1853,Nc1ncc(-c2cn(CC3CC3c3csc(Br)n3)nn2)cc1Br,DEDYTCARMVGLLS-UHFFFAOYSA-N
rxn:1:57007:20594,Cc1ccsc1CCCn1cc(-c2cnc(Cl)cc2N)nn1,QAUBJDXQODGVMV-UHFFFAOYSA-N
rxn:1:57013:39018,Brc1ccc(CCCn2cc(-c3cc4cn[nH]c4cn3)nn2)s1,RSUAHKNXLPNIKW-UHFFFAOYSA-N
rxn:1:58687:31315,O=c1cc(-c2cn(CCCCc3cscc3Br)nn2)cn[nH]1,ZGHDQBINOQZSKN-UHFFFAOYSA-N
rxn:1:59847:20594,Nc1cc(Cl)ncc1-c1cn([C@@H]2CCCCC[C@H]2I)nn1,DRUUBJCFJPKFNN-ZWNOBZJWSA-N
rxn:1:59907:37822,COc1ccc(Br)cc1-n1cc(-c2cnc(SC)nc2C)nn1,TTWTUNKZUBAPGF-UHFFFAOYSA-N
rxn:1:60636:1853,Cc1nc(Cl)ccc1-n1cc(-c2cnc(N)c(Br)c2)nn1,VKHBJRIZAWGAAL-UHFFFAOYSA-N
rxn:1:61827:38442,OC1(c2cn(-c3ccc(I)c(Br)c3)nn2)CCNCC1,PNYQXOGTXMECPY-UHFFFAOYSA-N
rxn:1:62327:18723,Cc1cnc(-c2cn(CC(C)CBr)nn2)cc1C1CC1,ZUMGTEOTSHVUBQ-UHFFFAOYSA-N
rxn:1:62588:29515,Clc1nc(Cl)c(Cl)c(OCc2cn(C3CCCC3I)nn2)c1Cl,VDWZACYBSSAHLA-UHFFFAOYSA-N
rxn:1:62792:1704,CCCn1cc([C@](C)(N)C(=O)O)nn1,KUOGVEHVPAVVAM-QMMMGPOBSA-N
rxn:1:40523:39292,CSCc1cn(CC=Cc2ccc(N)c(C)c2C)nn1,JVASFVKLXHIYDY-UHFFFAOYSA-N
rxn:1:41650:31836,Cc1cc(C#N)ncc1-c1cn(-c2cc(Br)ccc2Cl)nn1,MDPYUUQTCXMQPW-UHFFFAOYSA-N
rxn:1:41847:32044,Cc1cc(-c2cn(CC=Cc3cscc3Br)nn2)ccc1CN,LSFVQLDDGDHEME-UHFFFAOYSA-N
rxn:1:43719:14095,CNCc1ccc(C)c(-c2cn(-c3ccc(Cl)c(I)c3)nn2)c1,QCEKCYDXTCGRRJ-UHFFFAOYSA-N
rxn:1:53227:20555,Nc1c(-c2cn(C3C=CCCCC3)nn2)cnc(Cl)c1I,VZPUFUVBKHECJW-UHFFFAOYSA-N
rxn:1:57013:39924,CNc1ccc(-c2cn(CCCc3ccc(Br)s3)nn2)nn1,QPWSIZGSDCQDTJ-UHFFFAOYSA-N
rxn:1:57015:38682,Clc1ccsc1CCCn1cc(-c2cnc3nc[nH]c3c2)nn1,CGWWZLCDQLWCCZ-UHFFFAOYSA-N
rxn:1:59856:24238,C[C@@H]1CNC[C@H]1n1cc(-c2cc(Br)ccc2I)nn1,GWZUAZGAPSUMHL-AMIZOPFISA-N
rxn:1:59934:2983,NCCc1ccc(-n2cc(Cc3ccc(Br)s3)nn2)cc1,KFOLWTYVJYTMBU-UHFFFAOYSA-N
rxn:1:59997:23518,CS[C@@H]1CCC[C@@H]1n1cc(-c2oc3ncccc3c2N)nn1,CALJCMUQMGPAHC-NWDGAFQWSA-N
rxn:1:59997:23525,CS[C@@H]1CCC[C@@H]1n1cc(-c2oc3ncc(Br)cc3c2N)nn1,OLFCSSGDBSKSRX-NWDGAFQWSA-N
rxn:1:61587:20555,Nc1c(-c2cn(C(CBr)C3CCCC3)nn2)cnc(Cl)c1I,KNYNGSQBGJPLBZ-UHFFFAOYSA-N
rxn:1:62688:32146,Ic1cc(I)c(I)c(-n2cc(C[C@@H]3CCCNC3)nn2)c1,YSZZGAPCOKOPEU-VIFPVBQESA-N
rxn:1:62688:3947,Cc1nc(Cl)nc(N)c1-c1cn(-c2cc(I)cc(I)c2I)nn1,CBVSVTCTWDPZPM-UHFFFAOYSA-N
rxn:1:62688:7253,CC(C)[C@@H](N)c1cn(-c2cc(I)cc(I)c2I)nn1,KOWDIUDRKDUTLL-GFCCVEGCSA-N
rxn:1:63670:7128,FC(F)COc1ccc(-c2cn(Cc3ccc(Br)s3)nn2)cn1,PTHHWUAYSDQONS-UHFFFAOYSA-N
rxn:1:63757:7127,FCCOc1ccc(-c2cn(Cc3ccc(Cl)s3)nn2)cn1,OECFTPLAVFTDBQ-UHFFFAOYSA-N
rxn:1:65438:2180,CSCC(N)c1cn(Cc2ccc(I)c(Cl)c2)nn1,LRTNWQRKPLIRRM-UHFFFAOYSA-N
rxn:1:65661:38365,COc1cnc(-c2cn(CC=Cc3ccsc3)nn2)cn1,BSLZTCZKAPSUFT-UHFFFAOYSA-N
rxn:1:65673:20555,Cc1sccc1C=CCn1cc(-c2cnc(Cl)c(I)c2N)nn1,LKRGHQNYINFVGY-UHFFFAOYSA-N
rxn:1:41711:3210,O=C(CNC1CC1)c1cn(-c2ccc(I)cc2Br)nn1,QRVIQXRSFWEOKA-UHFFFAOYSA-N
rxn:1:41718:38433,NC1(c2cn(-c3cc(Br)ccc3I)nn2)CCCC1,ZRDZVUZVTRMQGR-UHFFFAOYSA-N
rxn:1:41791:3803,Cc1cc(-c2cn(CC=Cc3cc(Br)cs3)nn2)ccc1N,HDFJHUSZKGDIJS-UHFFFAOYSA-N
rxn:1:41847:31054,Nc1ncnc2c1ncn2-c1cn(CC=Cc2cscc2Br)nn1,BNFNVBRTOKMCSE-UHFFFAOYSA-N
rxn:1:41847:31227,NCc1ccc(-c2cn(CC=Cc3cscc3Br)nn2)cc1Cl,LSEXAQXKQPUOFL-UHFFFAOYSA-N
rxn:1:41847:31580,N#Cc1cnc(N)c(-c2cn(CC=Cc3cscc3Br)nn2)c1Cl,VTCPUIVQMSWRJY-UHFFFAOYSA-N
rxn:1:41904:27779,Cc1nc(-c2cn(CC#Cc3ccsc3)nn2)nc2[nH]cnc12,BPPDRBYSXKVIGB-UHFFFAOYSA-N
rxn:1:41905:1664,Cc1cc(-c2cn(CC#Cc3cccs3)nn2)cc(C)c1N,WDNONUOYTITBSQ-UHFFFAOYSA-N
rxn:1:41916:31219,Cc1cc(C#CCn2cc(-c3cc4cc(N)cnc4[nH]3)nn2)cs1,NJMYFFGGMAFTLC-UHFFFAOYSA-N
rxn:1:41918:23723,Clc1ccc(-n2cc(C3C4CNCC43)nn2)c(I)c1,DHTJLZWJWMPQAF-UHFFFAOYSA-N
rxn:1:42547:565,N#Cc1cnc(Cl)c(C#CCn2cc(-c3csc(Cl)c3)nn2)c1,PUNMLKYPRCMYJB-UHFFFAOYSA-N
rxn:1:43697:28663,CC(C)(CCN)c1cn(-c2cc(Cl)ccc2I)nn1,BKALOUNEOSODCI-UHFFFAOYSA-N
rxn:1:43719:24118,OC[C@@H]1CC[C@H]1c1cn(-c2ccc(Cl)c(I)c2)nn1,VQSNJHUNVMLUIG-WCBMZHEXSA-N
rxn:1:47710:28354,CSC(C)(C)c1cn(-c2nccc3c(I)c[nH]c23)nn1,DMOTVLBRNWVPTJ-UHFFFAOYSA-N
rxn:1:49432:521,FS(F)(F)(F)(F)c1ccc(-c2cn(C3(CI)CCNC3)nn2)cc1,QSOUWKIYEMTKAS-UHFFFAOYSA-N
rxn:1:51788:31588,Cc1nc(C#N)ccc1-c1cn(CC2CC=CC2)nn1,WOCNEBOJNIGZEA-UHFFFAOYSA-N
rxn:1:52479:107,Cc1ccnc2sc(-c3cn(Cc4csc(Br)n4)nn3)c(N)c12,YYXRCIAGIPTKCE-UHFFFAOYSA-N
rxn:1:53562:39124,CNCc1cn(Cc2ccc(Br)cc2I)nn1,LRPUOJDQYLUYPS-UHFFFAOYSA-N
rxn:1:57047:39018,Brc1cc(CCCn2cc(-c3cc4cn[nH]c4cn3)nn2)sc1Br,BBCMTDLEYWKICL-UHFFFAOYSA-N
rxn:1:58687:25795,CC(N)c1cn(CCCCc2cscc2Br)nn1,JRRZJXJBDKYMFB-UHFFFAOYSA-N
rxn:1:59847:23649,CC(=O)c1cc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)ccn1,UAGWEOYKBROEFH-CZUORRHYSA-N
rxn:1:59997:23585,CS[C@@H]1CCC[C@@H]1n1cc(-c2sc3ncc(F)cc3c2N)nn1,KGYJMSMQTVXRQE-NWDGAFQWSA-N
rxn:1:61827:7031,Brc1cc(-n2cc(C3CC34CNC4)nn2)ccc1I,OFYDVYXTTSRTOY-UHFFFAOYSA-N
rxn:1:62322:2879,CNCCc1ccc(-n2cc(-c3ccc(Cl)cc3O)nn2)cc1,MEYSOOJQZDQBCM-UHFFFAOYSA-N
rxn:1:62588:38899,COc1ccc(-c2cn(C3CCCC3I)nn2)c(O)c1,IYOWORJESQJKPS-UHFFFAOYSA-N
rxn:1:62688:2141,O=C(CC1CNC1)c1cn(-c2cc(I)cc(I)c2I)nn1,ZNBNNHPQNBSZDY-UHFFFAOYSA-N
rxn:1:62688:38722,Nc1cncc(-c2cn(-c3cc(I)cc(I)c3I)nn2)c1,BTECGBHFDZIMOH-UHFFFAOYSA-N
rxn:1:62688:7115,CNCC1CC1c1cn(-c2cc(I)cc(I)c2I)nn1,SIGOOOMVXYRURA-UHFFFAOYSA-N
rxn:1:40067:340,Nc1cc(C=CCn2cc(Cc3cccs3)nn2)cnc1Cl,KDMOZFYKYCKQQX-UHFFFAOYSA-N
rxn:1:40478:39292,CSCc1cn(CC=Cc2ccc(N)c(C)c2Cl)nn1,VBCSLVZRYNOZEL-UHFFFAOYSA-N
rxn:1:41788:31520,Cc1csc(C=CCn2cc(-c3cncc(Cl)c3N)nn2)c1,VQHAYZDCBQHRGR-UHFFFAOYSA-N
rxn:1:41919:20555,Cc1ccc(C#CCn2cc(-c3cnc(Cl)c(I)c3N)nn2)s1,ANTJVPCMFMCATN-UHFFFAOYSA-N
rxn:1:41923:38789,COc1cncc(-c2cn(CC#Cc3ccsc3Cl)nn2)c1,XWHIBNFPOQUSAM-UHFFFAOYSA-N
rxn:1:42202:1148,N#Cc1cncc(C#CCn2cc(-c3cc(Cl)cs3)nn2)c1,SIOLZMDBLYVBGE-UHFFFAOYSA-N
rxn:1:42551:31558,Cc1cc(N)c(N)cc1C#CCn1cc(-c2nc(Br)sc2C)nn1,UGFLEGLYDJQSFS-UHFFFAOYSA-N
rxn:1:42554:39089,Cc1cc(N)nc(C)c1C#CCn1cc(-c2ccc(Br)s2)nn1,FWJJHMSVIPJVQP-UHFFFAOYSA-N
rxn:1:43710:565,Nc1ncnc2[nH]cc(C#CCn3cc(-c4csc(Cl)c4)nn3)c12,QWMLGRDJOXCMDF-UHFFFAOYSA-N
rxn:1:43719:9276,Nc1cc(F)ccc1OCc1cn(-c2ccc(Cl)c(I)c2)nn1,DKMGQWGROULROB-UHFFFAOYSA-N
rxn:1:49433:31986,Cc1cc(N)cc(C)c1-c1cn(C2(CI)CNC2)nn1,ZMUQYCZBMWKFTF-UHFFFAOYSA-N
rxn:1:49433:32727,CCCOc1ccc(-c2cn(C3(CI)CNC3)nn2)c(F)c1F,OFVIHWCYNFBYQB-UHFFFAOYSA-N
rxn:1:51755:2089,Cc1csc(-c2cn(-c3ccc4c(c3)CCN(C)C4)nn2)c1,FKICLVKVONLPHT-UHFFFAOYSA-N
rxn:1:54937:122,Nc1c(Cl)ncnc1-c1cn(CC2CC2c2ccsc2)nn1,JTJFCBLSYIBWHT-UHFFFAOYSA-N
rxn:1:54992:39923,Nc1ccc(-c2cn(CC3CC3c3csc(Br)n3)nn2)nn1,DCNFNSBESLFYRO-UHFFFAOYSA-N
rxn:1:56989:31438,N#Cc1cnc(N)c(-c2cn(CCCc3cccs3)nn2)c1,JXUBZRXAZVLZMC-UHFFFAOYSA-N
rxn:1:57009:39923,Cc1cscc1CCCn1cc(-c2ccc(N)nn2)nn1,JKOMCJUFUHVNPR-UHFFFAOYSA-N
rxn:1:57010:31168,Cc1cnc(-c2cn(CCCc3ccsc3Cl)nn2)cc1N,DWPCXXKKXLEWQB-UHFFFAOYSA-N
rxn:1:57047:20555,Nc1c(-c2cn(CCCc3cc(Br)c(Br)s3)nn2)cnc(Cl)c1I,GBGDMVUIFBJDMY-UHFFFAOYSA-N
rxn:1:57047:28139,Nc1ncc(-c2cn(CCCc3cc(Br)c(Br)s3)nn2)c(N)n1,KIGDNWHEXZRIPH-UHFFFAOYSA-N
rxn:1:59847:23525,Nc1c(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)oc2ncc(Br)cc12,TYPDGDYCPIVRAK-DGCLKSJQSA-N
rxn:1:59847:23650,CC(=O)c1ccnc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)c1,ACLGMBHJGLKEIN-CZUORRHYSA-N
rxn:1:59847:31836,Cc1cc(C#N)ncc1-c1cn([C@@H]2CCCCC[C@H]2I)nn1,ACTFDZNZBDYZHJ-GDBMZVCRSA-N
rxn:1:59997:23538,CS[C@@H]1CCC[C@@H]1n1cc(-c2oc3c(I)cncc3c2N)nn1,MZTLYDOHVHMKKC-NWDGAFQWSA-N
rxn:1:60198:2180,CSCC(N)c1cn(-c2c(I)ccnc2F)nn1,KIHIHDNQQUERBY-UHFFFAOYSA-N
rxn:1:62178:2756,Cc1cc(Br)c(-c2cn(-c3ccc4c(c3)CNCC4)nn2)s1,YUOGPYXYMXTNKH-UHFFFAOYSA-N
rxn:1:62688:15212,CCn1[nH]c(=O)cc1-c1cn(-c2cc(I)cc(I)c2I)nn1,RFCHKIYSMZRZLD-UHFFFAOYSA-N
rxn:1:63670:7777,Fc1ccc2c(-c3cn(Cc4ccc(Br)s4)nn3)c[nH]c2c1,SGPHEQYSLLVBRE-UHFFFAOYSA-N
rxn:1:65438:6363,N#Cc1cnc(-c2cn(Cc3ccc(I)c(Cl)c3)nn2)c(Cl)c1,CZCUDGYKJRWSKI-UHFFFAOYSA-N
rxn:1:65672:38814,Cc1cc(C=CCn2cc(-c3cncc(Br)c3N)nn2)cs1,SPMUUTVOCLZQSY-UHFFFAOYSA-N
rxn:1:41711:16779,Cc1c(-c2cn(-c3ccc(I)cc3Br)nn2)cnn1CC(F)(F)F,XGLIYZHZIBVESM-UHFFFAOYSA-N
rxn:1:41711:31386,Cc1nn2c(c1-c1cn(-c3ccc(I)cc3Br)nn1)CNCC2,JACQQGQRQXRVQS-UHFFFAOYSA-N
rxn:1:41904:3248,Brc1cncc(Br)c1-c1cn(CC#Cc2ccsc2)nn1,TZAFWALRQLUDDC-UHFFFAOYSA-N
rxn:1:41904:7141,Cn1ncc2c(-c3cn(CC#Cc4ccsc4)nn3)cncc21,CUICVZGDRZNYRX-UHFFFAOYSA-N
rxn:1:41920:28139,Cc1ccsc1C#CCn1cc(-c2cnc(N)nc2N)nn1,MONPGDKAJGTYMY-UHFFFAOYSA-N
rxn:1:41959:31454,Nc1nc(Cl)ncc1-c1cn(CC#Cc2csc(C=O)c2)nn1,LWCBSTCAXCCKGT-UHFFFAOYSA-N
rxn:1:42351:31526,O=Cc1ccncc1C#CCn1cc(-c2cc(I)cc(I)c2)nn1,BWGSYWUSDUFBOT-UHFFFAOYSA-N
rxn:1:42796:1429,Cc1sc(-c2cn(CC#Cc3n[nH]c4ncnc(Cl)c34)nn2)cc1Br,GAMKIDNGANUNDU-UHFFFAOYSA-N
rxn:1:43799:31520,Nc1c(Cl)cncc1-c1cn(CCC#Cc2ccsc2Cl)nn1,ONXSVQVDVMHJRE-UHFFFAOYSA-N
rxn:1:45334:37717,Cc1n[nH]c2ncc(-c3cn(CCC=Cc4ccsc4)nn3)cc12,XZJVQHXUGAVSOQ-UHFFFAOYSA-N
rxn:1:47710:23897,N[C@H]1C[C@@H](Cc2cn(-c3nccc4c(I)c[nH]c34)nn2)C1,UYLJWEBPAZBOQA-DTORHVGOSA-N
rxn:1:49388:38682,Cc1cc(C)c(-n2cc(-c3cnc4nc[nH]c4c3)nn2)c(Br)c1,NAASSGFBWMXGDY-UHFFFAOYSA-N
rxn:1:49433:28747,FC1(F)C(CS)C1c1ccc(-c2cn(C3(CI)CNC3)nn2)cc1,DFIJWPXPRJAPHJ-UHFFFAOYSA-N
rxn:1:53562:2049,N[C@@H](CO)c1ccc(-c2cn(Cc3ccc(Br)cc3I)nn2)cc1,PGNRGMMZOAVYJS-INIZCTEOSA-N
rxn:1:57010:31420,Nc1ccc(-c2cn(CCCc3ccsc3Cl)nn2)cc1O,RUZJCZKYGFIQAW-UHFFFAOYSA-N
rxn:1:57010:39016,Clc1sccc1CCCn1cc(-c2nccc3[nH]ncc23)nn1,SGDUHJZUJFAIAE-UHFFFAOYSA-N
rxn:1:57047:37700,N[C@H]1C=C(c2cn(CCCc3cc(Br)c(Br)s3)nn2)CC1,BABDWORNJGXIED-SNVBAGLBSA-N
rxn:1:57064:31454,Cc1cc(CCCn2cc(-c3cnc(Cl)nc3N)nn2)sc1Br,RMFFJVPBXFBGKT-UHFFFAOYSA-N
rxn:1:57359:2983,Nc1cc(Cl)ncc1CCCn1cc(Cc2ccc(Br)s2)nn1,YGFKZPLFBKVVFE-UHFFFAOYSA-N
rxn:1:58687:122,Nc1c(Cl)ncnc1-c1cn(CCCCc2cscc2Br)nn1,QENIFWPRSAERJL-UHFFFAOYSA-N
rxn:1:58687:2195,Cc1nc(-c2cn(CCCCc3cscc3Br)nn2)c[nH]1,OISFLUWREIHOIC-UHFFFAOYSA-N
rxn:1:58687:723,[Na]c1cn(CCCCc2cscc2Br)nn1,DZTLPIWJSJDSRX-UHFFFAOYSA-N
rxn:1:62688:7141,Cn1ncc2c(-c3cn(-c4cc(I)cc(I)c4I)nn3)cncc21,DRWSATORXGINRS-UHFFFAOYSA-N
rxn:1:63670:7127,FCCOc1ccc(-c2cn(Cc3ccc(Br)s3)nn2)cn1,NQQDTSFZDXHQAB-UHFFFAOYSA-N
rxn:1:65672:38748,COc1nc(-c2cn(CC=Cc3csc(C)c3)nn2)ncc1Cl,UUGXLAMWZVRPOF-UHFFFAOYSA-N
rxn:1:65679:31930,Cc1cncc(-c2cn(CC=Cc3ccc(Cl)s3)nn2)c1N,IBITXTAKCOJJPF-UHFFFAOYSA-N
rxn:3:56103:31226:127360,Cc1ccccc1C(C)(Cc1cccs1)NC(=O)c1cc(C2CC2Cn2cc(C3CC3c3ccc(C#N)cc3)nn2)ccc1F,LFKKAIZZZQNGQK-UHFFFAOYSA-N
rxn:1:41711:23825,Brc1cc(I)ccc1-n1cc(C2(n3ccnc3)CC2)nn1,KZCNFWSYXXJHAA-UHFFFAOYSA-N
rxn:1:41876:2983,NCC=Cc1cccc(-n2cc(Cc3ccc(Br)s3)nn2)c1,XOGSKQSXQYSLAB-UHFFFAOYSA-N
rxn:1:41905:20555,Nc1c(-c2cn(CC#Cc3cccs3)nn2)cnc(Cl)c1I,KRMHFLDUWVFIHZ-UHFFFAOYSA-N
rxn:1:41905:2587,Cc1cc(-c2cn(CC#Cc3cccs3)nn2)cc(C)c1O,UQTRRIDASOPTEM-UHFFFAOYSA-N
rxn:1:41917:39011,Cc1sccc1C#CCn1cc(-c2cnc3cn[nH]c3c2)nn1,QEFUWEREKYAGLW-UHFFFAOYSA-N
rxn:1:41923:6392,Clc1sccc1C#CCn1cc(-c2nccn3nccc23)nn1,HNDCLGVZUPWQRI-UHFFFAOYSA-N
rxn:1:42191:2983,Nc1cc(C#CCn2cc(Cc3ccc(Br)s3)nn2)cnc1Cl,TWQGXDAFNSXCSA-UHFFFAOYSA-N
rxn:1:42553:1148,N#Cc1ccc(N)c(C#CCn2cc(-c3cc(Cl)cs3)nn2)c1,NAYLIELUMBXSOP-UHFFFAOYSA-N
rxn:1:43719:7094,CNCC(C)Cc1cn(-c2ccc(Cl)c(I)c2)nn1,ARQFQHYIJGGSBQ-UHFFFAOYSA-N
rxn:1:43730:38555,CNCCc1cn(-c2ccc(Br)cc2I)nn1,KIXZVOFJUMBTBS-UHFFFAOYSA-N
rxn:1:43730:85,NC(C=O)Cc1cn(-c2ccc(Br)cc2I)nn1,OCQHBUZUTDRJHO-UHFFFAOYSA-N
rxn:1:46324:29424,CC1CCCN(c2ccc(-c3cn(CCC=Cc4cccnc4C(F)(F)F)nn3)cc2Cl)C1,ZQBVYLYKXKONOS-UHFFFAOYSA-N
rxn:1:47710:28662,CC(C)(CCBr)c1cn(-c2nccc3c(I)c[nH]c23)nn1,ITPRWIOCHCEADD-UHFFFAOYSA-N
rxn:1:47710:32152,Nc1cc(Cl)ccc1OCc1cn(-c2nccc3c(I)c[nH]c23)nn1,OMZCHMWKSGAZST-UHFFFAOYSA-N
rxn:1:51585:122,Nc1c(Cl)ncnc1-c1cn(CCC2CC2c2ccsc2Cl)nn1,XMRABYDBTYFDRV-UHFFFAOYSA-N
rxn:1:51755:39336,Cc1ccsc1-c1cn(-c2ccc3c(c2)CCN(C)C3)nn1,JOCMDGUJDPDSEW-UHFFFAOYSA-N
rxn:1:52102:4564,CC(O)(CBr)Cn1cc(COc2ccc(Cl)cc2Br)nn1,NJOJZCOWQDQLJZ-UHFFFAOYSA-N
rxn:1:54959:122,Nc1c(Cl)ncnc1-c1cn(CC2CC2c2ccsc2Cl)nn1,BKTZMVNVTQXOAK-UHFFFAOYSA-N
rxn:1:57004:20594,Cc1sccc1CCCn1cc(-c2cnc(Cl)cc2N)nn1,FALZEISBPJSABI-UHFFFAOYSA-N
rxn:1:57014:39018,Brc1csc(CCCn2cc(-c3cc4cn[nH]c4cn3)nn2)c1,LXSQOSRJZKLULF-UHFFFAOYSA-N
rxn:1:57014:39020,Brc1csc(CCCn2cc(-c3ccc4cn[nH]c4n3)nn2)c1,OKMJTKQXCKXAHU-UHFFFAOYSA-N
rxn:1:57047:3803,Cc1cc(-c2cn(CCCc3cc(Br)c(Br)s3)nn2)ccc1N,OSMLKZCCLCGOHR-UHFFFAOYSA-N
rxn:1:59847:28155,Cc1cccc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)c1O,GCXPPUGGFHZHCH-UKRRQHHQSA-N
rxn:1:59985:35473,CCCNC(=O)c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1Cl,MIIRLAZFNZOPFR-UKRRQHHQSA-N
rxn:1:61872:2955,C[Si](C)(C)Cn1cc(-c2c[nH]c3cc(Cl)ccc23)nn1,VIZCHJVUXIXPRO-UHFFFAOYSA-N
rxn:1:62140:22739,FC(F)n1cc(-c2cncc(-n3nc(C4CC4)c(Br)c3I)c2)nn1,MLHRFZXDPZPNPN-UHFFFAOYSA-N
rxn:1:62688:11716,CC(C)(CN)CCc1cn(-c2cc(I)cc(I)c2I)nn1,UFHKUFVJKUFLGC-UHFFFAOYSA-N
rxn:1:62688:28393,NCC(CC1CC1)c1cn(-c2cc(I)cc(I)c2I)nn1,IBMLLCJUVAIULC-UHFFFAOYSA-N
rxn:1:63757:393,Cc1cc2ncc(Br)n2cc1-c1cn(Cc2ccc(Cl)s2)nn1,RFZVPXAAYHYCLW-UHFFFAOYSA-N
rxn:1:65438:1853,Nc1ncc(-c2cn(Cc3ccc(I)c(Cl)c3)nn2)cc1Br,OQGDDZUOJKGRIJ-UHFFFAOYSA-N
rxn:1:41711:31786,NC(CCO)c1cn(-c2ccc(I)cc2Br)nn1,JFWATKYZNIJMFO-UHFFFAOYSA-N
rxn:1:41711:31935,NCc1cc(-c2cn(-c3ccc(I)cc3Br)nn2)ccc1Cl,JWFSHSHOWNWRQM-UHFFFAOYSA-N
rxn:1:41777:1664,Cc1cc(-c2cn(CC=Cc3csc(Br)n3)nn2)cc(C)c1N,QQFBYPNQOSNPIE-UHFFFAOYSA-N
rxn:1:41904:23651,Cc1ncc(-c2cn(CC#Cc3ccsc3)nn2)cc1Cl,CEICLLAHRGLBCD-UHFFFAOYSA-N
rxn:1:41904:38102,Brc1cncc(-c2cn(CC#Cc3ccsc3)nn2)c1,OVTOPEIOOFSRDU-UHFFFAOYSA-N
rxn:1:41923:31838,COc1cc(-c2cn(CC#Cc3ccsc3Cl)nn2)cnc1C#N,VYZHKECMAGCBFF-UHFFFAOYSA-N
rxn:1:41929:2140,NC1(C(=O)c2cn(-c3cccc(Cl)c3Br)nn2)CC1,OTCTWNCPMYAZRV-UHFFFAOYSA-N
rxn:1:42016:27779,Cc1nc(-c2cn(CC#Cc3csc(C#N)c3)nn2)nc2[nH]cnc12,PLZKEHRRHVHIFV-UHFFFAOYSA-N
rxn:1:42029:23184,CCC(C)(N)c1cn(-c2ccc(C)c(I)c2)nn1,YDCFRUPHMGIONN-UHFFFAOYSA-N
rxn:1:42186:1062,Nc1cc(Cl)ncc1C#CCn1cc(-c2ccc(Cl)c(Br)c2)nn1,TXDPNGZDDZCXMR-UHFFFAOYSA-N
rxn:1:42975:565,N#CSc1ccc(N)c(C#CCn2cc(-c3csc(Cl)c3)nn2)c1,VIACEXTXDRLENE-UHFFFAOYSA-N
rxn:1:43671:161,Nc1ccnc(Cl)c1C#CCn1cc(-c2ccc(Br)c(Cl)c2Cl)nn1,GASVHFGBJRVJNP-UHFFFAOYSA-N
rxn:1:43678:31896,Clc1nccc(C#CCn2cc(-c3ccncc3I)nn2)c1Cl,MQDROOATROBATM-UHFFFAOYSA-N
rxn:1:49432:38145,Clc1ccc(I)cc1-c1cn(C2(CI)CCNC2)nn1,JHPMFDMDNHNEPJ-UHFFFAOYSA-N
rxn:1:53551:31376,CNCCc1ccc(-c2cn(-c3ccc(Br)cn3)nn2)c(Cl)c1,MFJVSEBFAWPYDB-UHFFFAOYSA-N
rxn:1:55315:2983,Nc1ncc(C2CC2Cn2cc(Cc3ccc(Br)s3)nn2)cc1F,ITKYUFCPNGETHR-UHFFFAOYSA-N
rxn:1:57010:32044,Cc1cc(-c2cn(CCCc3ccsc3Cl)nn2)ccc1CN,MTWCAANPBAXHAU-UHFFFAOYSA-N
rxn:1:57011:122,Nc1c(Cl)ncnc1-c1cn(CCCc2cscc2Br)nn1,JDDFIYQWUHATRZ-UHFFFAOYSA-N
rxn:1:57043:31469,Cc1ncc(-c2cn(CCCc3csc(Br)n3)nn2)cc1N,HCVUYHJFTYIENY-UHFFFAOYSA-N
rxn:1:58684:31197,Cc1cscc1CCCCn1cc(-c2ncc(O)cn2)nn1,LFXRUDKHFZOIKM-UHFFFAOYSA-N
rxn:1:58687:3935,Cc1nc(N)c(-c2cn(CCCCc3cscc3Br)nn2)c(Cl)n1,MDPIXGGZYHZVAF-UHFFFAOYSA-N
rxn:1:59985:28642,NC1CCc2cc(-c3cn([C@@H]4CC[C@H]4I)nn3)ccc21,XBJALGFKNBFKQW-ILWWEHDPSA-N
rxn:1:59985:38379,I[C@@H]1CC[C@H]1n1cc(-c2cnc3ccoc3c2)nn1,FLRNOTZFCHTHGS-BXKDBHETSA-N
rxn:1:61872:23584,C[Si](C)(C)Cn1cc(-c2oc3ncc(Cl)cc3c2N)nn1,DYHWFTXGPSCCSL-UHFFFAOYSA-N
rxn:1:64168:38814,Cc1cc(Br)ccc1-n1cc(-c2cncc(Br)c2N)nn1,ZCSGGSBSDFENQH-UHFFFAOYSA-N
rxn:1:65438:341,Clc1cc(Cn2cc(Cc3ccsc3)nn2)ccc1I,SWAGDNGVGKZGAY-UHFFFAOYSA-N
rxn:3:52875:38255:135502,Cc1cnc(C(=O)Nc2cc(C)c3c(c2)OCCO3)c(C2CC2CCn2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1,PPKNKEVAEVVQQT-UHFFFAOYSA-N
rxn:1:41711:15550,CC1(C)C2CCC1(C)C(O)(c1cn(-c3ccc(I)cc3Br)nn1)C2,RYVJTQFXBCKWHC-UHFFFAOYSA-N
rxn:1:41711:2051,C[C@H](N)c1ccc(-c2cn(-c3ccc(I)cc3Br)nn2)cc1,FTNRQAAJQLTCJJ-JTQLQIEISA-N
rxn:1:41711:2992,NC(CO)c1ccc(-c2cn(-c3ccc(I)cc3Br)nn2)cc1,KNZWWLFCIYXQTH-UHFFFAOYSA-N
rxn:1:41718:38555,CNCCc1cn(-c2cc(Br)ccc2I)nn1,QBJMSGXSHXRRCR-UHFFFAOYSA-N
rxn:1:41923:7253,CC(C)[C@@H](N)c1cn(CC#Cc2ccsc2Cl)nn1,PATRXYDLKCNNER-GFCCVEGCSA-N
rxn:1:42358:31489,NCc1cccc(-n2cc(-c3cc(Cl)ccc3I)nn2)c1,UAWFDYMOBDTKFF-UHFFFAOYSA-N
rxn:1:43719:11724,NC[C@H]1CC[C@H](c2cn(-c3ccc(Cl)c(I)c3)nn2)CC1,MOELIVXIGCOXJY-XYPYZODXSA-N
rxn:1:45202:1664,CCN1C(=O)C(Cl)=C(n2cc(-c3cc(C)c(N)c(C)c3)nn2)C1O,AIORSYQQJKDKSJ-UHFFFAOYSA-N
rxn:1:49432:23525,Nc1c(-c2cn(C3(CI)CCNC3)nn2)oc2ncc(Br)cc12,RKUITRRUUBEAAY-UHFFFAOYSA-N
rxn:1:49432:2955,Clc1ccc2c(-c3cn(C4(CI)CCNC4)nn3)c[nH]c2c1,GRDMWLWZEPNFTR-UHFFFAOYSA-N
rxn:1:49433:3168,Oc1c(F)cc(Br)cc1-c1cn(C2(CI)CNC2)nn1,GISPABVKFZVYFM-UHFFFAOYSA-N
rxn:1:50513:31930,Cc1cncc(-c2cn(CCCCCI)nn2)c1N,IQGMRXTXRXLGQF-UHFFFAOYSA-N
rxn:1:51586:122,Nc1c(Cl)ncnc1-c1cn(CCC2CC2c2cscc2Br)nn1,HSTJUIWDUJDWAY-UHFFFAOYSA-N
rxn:1:51755:1429,Cc1sc(-c2cn(-c3ccc4c(c3)CCN(C)C4)nn2)cc1Br,CXVKUZKMBPFWLR-UHFFFAOYSA-N
rxn:1:54937:37839,O=C1NCc2cc(-c3cn(CC4CC4c4ccsc4)nn3)ccc21,YIFNKYIFLSXURE-UHFFFAOYSA-N
rxn:1:55405:11373,Cc1c(C(=O)O)cccc1-c1ccc(C=C2SC(=O)N(Cc3cn(CC4CC4c4ccc(Cl)c(N)c4)nn3)C2=O)o1,OVWBPFBTYWBCHN-UHFFFAOYSA-N
rxn:1:57004:39923,Cc1sccc1CCCn1cc(-c2ccc(N)nn2)nn1,UCCYMQNJNHWUPT-UHFFFAOYSA-N
rxn:1:57011:31224,Cc1nc(-c2cn(CCCc3cscc3Br)nn2)ccc1N,WEANQLOZNCRXQJ-UHFFFAOYSA-N
rxn:1:57014:39924,CNc1ccc(-c2cn(CCCc3cc(Br)cs3)nn2)nn1,QIYRDGGTNGPWOU-UHFFFAOYSA-N
rxn:1:57017:3803,Cc1cc(-c2cn(CCCc3sccc3Br)nn2)ccc1N,RISVOXZBGVASTE-UHFFFAOYSA-N
rxn:1:58686:31259,Oc1ccnc(-c2cn(CCCCc3ccsc3Cl)nn2)c1,HLMYZEHVWBMOIX-UHFFFAOYSA-N
rxn:1:58687:7708,COc1cnc(-c2cn(CCCCc3cscc3Br)nn2)nc1,VDWCUSQSWQYULM-UHFFFAOYSA-N
rxn:1:58745:1853,Nc1ncc(-c2cn(CCCCc3ncc(Br)cn3)nn2)cc1Br,BSZTZHQKXHERCL-UHFFFAOYSA-N
rxn:1:59915:16990,CCCc1n[nH]cc1-c1cn(Cc2sc(Br)cc2Br)nn1,SWPUGWJRNCTLKW-UHFFFAOYSA-N
rxn:1:59915:582,Cc1cc2[nH]ccc2nc1-c1cn(Cc2sc(Br)cc2Br)nn1,UXJBDZGZOBUAQX-UHFFFAOYSA-N
rxn:1:62178:660,SCCCCc1cn(-c2ccc3c(c2)CNCC3)nn1,MKBQHGQPVGMYNN-UHFFFAOYSA-N
rxn:1:62688:7442,CC(CN)(CO)Cc1cn(-c2cc(I)cc(I)c2I)nn1,RPMQKXFQLRFQTE-UHFFFAOYSA-N
rxn:1:62688:8535,C[C@H](N)Cc1cn(-c2cc(I)cc(I)c2I)nn1,CDQKOXXDEUGFIS-LURJTMIESA-N
rxn:1:65672:39073,Cc1cc(C=CCn2cc(-c3ncc(Cl)cc3N)nn2)cs1,HXDUSUMBDCQEJA-UHFFFAOYSA-N
rxn:1:40062:1674,Nc1cc(Cl)ncc1C=CCn1cc(-c2ccc(I)o2)nn1,LALPUDASUWBWKT-UHFFFAOYSA-N
rxn:1:40063:1148,Cc1nc(Cl)ncc1C=CCn1cc(-c2cc(Cl)cs2)nn1,KTIHWLHZVYHMSH-UHFFFAOYSA-N
rxn:1:40077:2983,Cc1cc(C=CCn2cc(Cc3ccc(Br)s3)nn2)cnc1N,PRNKVVIWBWOZNZ-UHFFFAOYSA-N
rxn:1:41711:16783,Cc1c(-c2cn(-c3ccc(I)cc3Br)nn2)cnn1CC(F)F,IWQBBHNMNIDRHC-UHFFFAOYSA-N
rxn:1:41711:2235,NC1(CC(=O)c2cn(-c3ccc(I)cc3Br)nn2)CC1,VIDVJRHKPATUQD-UHFFFAOYSA-N
rxn:1:41916:6187,Cc1cc(C#CCn2cc(C3(O)CCSC3)nn2)cs1,CLYRNSPHZYFDLF-UHFFFAOYSA-N
rxn:1:41919:31454,Cc1ccc(C#CCn2cc(-c3cnc(Cl)nc3N)nn2)s1,SQBDLQJILDAPFH-UHFFFAOYSA-N
rxn:1:41921:39018,Cc1cscc1C#CCn1cc(-c2cc3cn[nH]c3cn2)nn1,VUDIMOCFMNIJFL-UHFFFAOYSA-N
rxn:1:41977:2756,Cc1cc(Br)c(-c2cn(CC#Cc3cnccc3N)nn2)s1,NFJKMNRQKLGCNX-UHFFFAOYSA-N
rxn:1:47710:28543,BrCC12CC(c3cn(-c4nccc5c(I)c[nH]c45)nn3)(CO1)C2,KLGILBZECDEHCS-UHFFFAOYSA-N
rxn:1:54930:31197,Oc1cnc(-c2cn(-c3cccc(C4CC4CS)c3)nn2)nc1,CJCVMCLSUILWME-UHFFFAOYSA-N
rxn:1:54937:39021,c1cc(C2CC2Cn2cc(-c3cnc4[nH]ncc4c3)nn2)cs1,DYXQCUHDNQILLO-UHFFFAOYSA-N
rxn:1:54962:37700,N[C@H]1C=C(c2cn(CC3CC3c3ccc(Br)s3)nn2)CC1,SPAIWSSLYRVIQG-MOENNCHZSA-N
rxn:1:55948:28642,NC1CCc2cc(-c3cn(CCI)nn3)ccc21,QSJOLEGTBFTQOP-UHFFFAOYSA-N
rxn:1:55948:32201,CC(C)c1cncc(-c2cn(CCI)nn2)c1,SSEGROZGLQVHGR-UHFFFAOYSA-N
rxn:1:57011:31559,CNc1ccnc(-c2cn(CCCc3cscc3Br)nn2)c1,BVCSWJLIZHFTPG-UHFFFAOYSA-N
rxn:1:57043:31195,Brc1nc(CCCn2cc(-c3ccc4c(c3)CNC4)nn2)cs1,MGWASUNNGONBPL-UHFFFAOYSA-N
rxn:1:59856:20555,C[C@@H]1CNC[C@H]1n1cc(-c2cnc(Cl)c(I)c2N)nn1,MZFJJRFVNYXEMG-HZGVNTEJSA-N
rxn:1:59856:2763,C[C@@H]1CNC[C@H]1n1cc(-c2cc(Cl)cc(Br)c2O)nn1,WTTPCESUTKBCLL-JMCQJSRRSA-N
rxn:1:59909:23101,CC1(C)CNCC1c1cn(-c2cc(Cl)c(Br)cc2Cl)nn1,GPBPYEASPUBEEU-UHFFFAOYSA-N
rxn:1:59927:31376,CNCCc1ccc(-c2cn(-c3ccc(F)cn3)nn2)c(Cl)c1,JZDZHWDTYVEZRY-UHFFFAOYSA-N
rxn:1:59985:11984,NCCc1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1,KDYOOPXMMBZNCG-TZMCWYRMSA-N
rxn:1:59985:32592,CN(C)c1cc(-c2cn([C@@H]3CC[C@H]3I)nn2)ccn1,YTLPWUOFNUWRSZ-ZYHUDNBSSA-N
rxn:1:60636:27954,Cc1nc(Cl)ccc1-n1cc(-c2ccc(C=CCN)cc2)nn1,GEMXBRIRJKUNJV-UHFFFAOYSA-N
rxn:1:61592:37729,CSc1ccc(-c2cn([C@@H](CCl)[C@H](O)CCl)nn2)cn1,VGFKHQCXILLLPU-WDEREUQCSA-N
rxn:1:61827:23184,CCC(C)(N)c1cn(-c2ccc(I)c(Br)c2)nn1,OXFFKKUZBGYPBB-UHFFFAOYSA-N
rxn:1:61827:31903,Cc1cc(N)ccc1-c1cn(-c2ccc(I)c(Br)c2)nn1,NDUZJDBGXAWBGA-UHFFFAOYSA-N
rxn:1:61827:92,Nc1nc(Cc2cn(-c3ccc(I)c(Br)c3)nn2)c[nH]1,RZWWIYQGEUOGIF-UHFFFAOYSA-N
rxn:1:62588:38562,O=Cc1ccc(-c2cn(C3CCCC3I)nn2)cn1,KHTGBQDSUIQARA-UHFFFAOYSA-N
rxn:1:63670:8627,COc1ccc(-c2cn(Cc3ccc(Br)s3)nn2)c(C)n1,ICAUOIWXBUPCFA-UHFFFAOYSA-N
rxn:1:65746:2983,Nc1ccc(C=CCn2cc(Cc3ccc(Br)s3)nn2)nc1,FKVVZCCCTPMDTR-UHFFFAOYSA-N
rxn:1:41395:20555,Cc1cc(F)ccc1-n1cc(-c2cnc(Cl)c(I)c2N)nn1,FKMWJNYSIHFREQ-UHFFFAOYSA-N
rxn:1:41711:32043,COc1cc(-c2cn(-c3ccc(I)cc3Br)nn2)ccc1[C@H](C)N,GRLIVPQFKIRHQP-JTQLQIEISA-N
rxn:1:41723:39245,N[C@H]1CC[C@H](c2cn(-c3ccc(F)cc3I)nn2)CC1,ICZZHEAHLJQUAK-HOMQSWHASA-N
rxn:1:41792:8718,Cc1cc(-c2cn(CC=Cc3sccc3Cl)nn2)cnc1N,KNASMQBGNWWCCV-UHFFFAOYSA-N
rxn:1:41918:11996,NCC1(c2cn(-c3ccc(Cl)cc3I)nn2)CCC1,BCFFDCQHEOGRBR-UHFFFAOYSA-N
rxn:1:41918:28139,Nc1ncc(-c2cn(-c3ccc(Cl)cc3I)nn2)c(N)n1,VOBVMUZDLJJLDO-UHFFFAOYSA-N
rxn:1:41923:38795,Fc1cc(-c2cn(CC#Cc3ccsc3Cl)nn2)ccn1,WMEFVVRKJIFJSM-UHFFFAOYSA-N
rxn:1:41924:31611,COc1ncc(-c2cn(CC#Cc3ccc(Cl)s3)nn2)c(N)n1,VSYPOVISOSBRQD-UHFFFAOYSA-N
rxn:1:42217:565,N#Cc1ccnc(C#CCn2cc(-c3csc(Cl)c3)nn2)c1,JYYYDFQFOHNJDX-UHFFFAOYSA-N
rxn:1:43628:31279,Nc1c(-c2cn(CC#Cc3ncc(Br)cn3)nn2)cnc(Cl)c1F,LEKSKJODJYAGCR-UHFFFAOYSA-N
rxn:1:43697:2140,NC1(C(=O)c2cn(-c3cc(Cl)ccc3I)nn2)CC1,PFBMUMFMJSWYGY-UHFFFAOYSA-N
rxn:1:43719:8703,COC1(c2cn(-c3ccc(Cl)c(I)c3)nn2)CCC1,XAKVYVYQTZTSKL-UHFFFAOYSA-N
rxn:1:43781:27779,Cc1nc(-c2cn(CCC#Cc3ccsc3)nn2)nc2[nH]cnc12,HHSVKDZJVABHIN-UHFFFAOYSA-N
rxn:1:49433:23448,Clc1nc(C2CC2)ccc1-c1cn(C2(CI)CNC2)nn1,QPSWMXZUTWPHHL-UHFFFAOYSA-N
rxn:1:55123:20555,Nc1c(-c2cn(CC3CC3c3cncc(O)c3)nn2)cnc(Cl)c1I,LIVGRHNCJVRHIN-UHFFFAOYSA-N
rxn:1:56986:31197,Oc1cnc(-c2cn(-c3cccc(CCCS)c3)nn2)nc1,RJZPFNRZZCZGKL-UHFFFAOYSA-N
rxn:1:56989:39021,c1csc(CCCn2cc(-c3cnc4[nH]ncc4c3)nn2)c1,OAHHRWGUSKRRJJ-UHFFFAOYSA-N
rxn:1:57012:31957,Nc1cc(F)ncc1-c1cn(CCCc2ccc(Cl)s2)nn1,BWBRBHMFQDZNGC-UHFFFAOYSA-N
rxn:1:57043:1332,Cc1ncc(-c2cn(CCCc3csc(Br)n3)nn2)cn1,FIFZJPVTLYQKPI-UHFFFAOYSA-N
rxn:1:57064:39923,Cc1cc(CCCn2cc(-c3ccc(N)nn3)nn2)sc1Br,XNLRLMCQBLQMJJ-UHFFFAOYSA-N
rxn:1:58687:31197,Oc1cnc(-c2cn(CCCCc3cscc3Br)nn2)nc1,BPPKAGVFOHJIJV-UHFFFAOYSA-N
rxn:1:59847:31920,Cc1nc(N)ncc1-c1cn([C@@H]2CCCCC[C@H]2I)nn1,IPIUNEWRBXRKEK-DGCLKSJQSA-N
rxn:1:59923:23525,CC(Cl)=CCn1cc(-c2oc3ncc(Br)cc3c2N)nn1,LGRUUIGZIQZFGR-UHFFFAOYSA-N
rxn:1:60636:23538,Cc1nc(Cl)ccc1-n1cc(-c2oc3c(I)cncc3c2N)nn1,GHRGQACJFSGZHH-UHFFFAOYSA-N
rxn:1:61827:18043,FCCn1nc2c(c1-c1cn(-c3ccc(I)c(Br)c3)nn1)CNC2,CPOUFYGGTHZYLI-UHFFFAOYSA-N
rxn:1:61827:38433,NC1(c2cn(-c3ccc(I)c(Br)c3)nn2)CCCC1,XGBHRCKLNMDEFE-UHFFFAOYSA-N
rxn:1:62178:6547,CC(C)(CBr)Cc1cn(-c2ccc3c(c2)CNCC3)nn1,OTFNZWFAGLQKMU-UHFFFAOYSA-N
rxn:1:62588:6381,IC1CCCC1n1cc(-c2cc(C3CC3)ncn2)nn1,QGBBYPHGAHNPGV-UHFFFAOYSA-N
rxn:1:62688:24202,CC(c1cn(-c2cc(I)cc(I)c2I)nn1)N1CC(O)C1,ASHAXDDJULYARL-UHFFFAOYSA-N
rxn:1:63757:412,Cc1cc(C)c(-c2cn(Cc3ccc(Cl)s3)nn2)cn1,VWRVUKBCZRRBQF-UHFFFAOYSA-N
rxn:1:65438:334,Clc1cc(Cn2cc(Cc3nccs3)nn2)ccc1I,QTRPNGHAIZQXHZ-UHFFFAOYSA-N
rxn:1:65678:39771,Nc1ccc(OCc2cn(CC=Cc3ccsc3Cl)nn2)nc1,MGYUKIYVUWTHBN-UHFFFAOYSA-N
rxn:1:41847:27778,Cc1nc(-c2cn(CC=Cc3cscc3Br)nn2)nc(N)c1N,CAZBKQHUZSUZTJ-UHFFFAOYSA-N
rxn:1:41866:37717,Cc1n[nH]c2ncc(-c3cn(CC=Cc4occc4Br)nn3)cc12,ZKWZKOIZUOBTHM-UHFFFAOYSA-N
rxn:1:41905:31463,Fc1cc(-c2cn(CC#Cc3cccs3)nn2)cnc1Cl,HICIAAFICZRIHI-UHFFFAOYSA-N
rxn:1:41921:20594,Cc1cscc1C#CCn1cc(-c2cnc(Cl)cc2N)nn1,SZFNURDHZRDXAN-UHFFFAOYSA-N
rxn:1:41923:2915,Fc1cnc(Cl)c(-c2cn(CC#Cc3ccsc3Cl)nn2)c1,CSBMUOPLMJLALE-UHFFFAOYSA-N
rxn:1:43680:39021,Clc1ncc(Br)cc1C#CCn1cc(-c2cnc3[nH]ncc3c2)nn1,XKKMWXWBUDBVAQ-UHFFFAOYSA-N
rxn:1:43758:39089,CNCC#Cc1cccc(-n2cc(-c3ccc(Br)s3)nn2)c1,CIPJNQFRDUNSHK-UHFFFAOYSA-N
rxn:1:43799:31454,Nc1nc(Cl)ncc1-c1cn(CCC#Cc2ccsc2Cl)nn1,WSFYPWYJEKWHAF-UHFFFAOYSA-N
rxn:1:49433:4586,Fc1ccc(OCc2cn(C3(CI)CNC3)nn2)c(Br)c1,IVINRIFBHXZMSQ-UHFFFAOYSA-N
rxn:1:50513:29580,Cc1ccc(-c2cn(CCCCCI)nn2)c(N)n1,DMQYLDFPYAELDC-UHFFFAOYSA-N
rxn:1:51563:122,Nc1c(Cl)ncnc1-c1cn(CCC2CC2c2ccsc2)nn1,YCILJRQXNWXTMW-UHFFFAOYSA-N
rxn:1:53095:28048,NCCC=Cc1ccc(-c2cn(CCCBr)nn2)cc1,CESSLXRSUCHJKJ-UHFFFAOYSA-N
rxn:1:57007:31438,Cc1ccsc1CCCn1cc(-c2cc(C#N)cnc2N)nn1,BEFIMKXGRSVMHI-UHFFFAOYSA-N
rxn:1:57043:39923,Nc1ccc(-c2cn(CCCc3csc(Br)n3)nn2)nn1,DUQWKQPURRABNA-UHFFFAOYSA-N
rxn:1:58686:27889,Oc1cc(-c2cn(CCCCc3ccsc3Cl)nn2)ncc1Cl,GTCOTEQOZJHKLI-UHFFFAOYSA-N
rxn:1:58687:1827,Oc1cncc(-c2cn(CCCCc3cscc3Br)nn2)c1,RLSCANZIJUSSHY-UHFFFAOYSA-N
rxn:1:59847:18720,Cc1c(F)cnc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)c1F,YQNABRLVYJAHEJ-DGCLKSJQSA-N
rxn:1:59985:31227,NCc1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1Cl,WIVIFBYSTRCDRJ-DGCLKSJQSA-N
rxn:1:62179:23521,Cc1cnc2oc(-c3cn(-c4cncc(Br)c4)nn3)c(N)c2c1,DTUYFZXSWSYJNZ-UHFFFAOYSA-N
rxn:1:62688:16783,Cc1c(-c2cn(-c3cc(I)cc(I)c3I)nn2)cnn1CC(F)F,FTHHFQLCOCFZOS-UHFFFAOYSA-N
rxn:1:62688:2060,O=C(c1cn(-c2cc(I)cc(I)c2I)nn1)C1CNC1,VWJJWDNYWWJCCX-UHFFFAOYSA-N
rxn:1:62688:23897,N[C@H]1C[C@@H](Cc2cn(-c3cc(I)cc(I)c3I)nn2)C1,PQUCUEQXYKFWJV-OTSSQURYSA-N
rxn:1:64168:23539,Cc1cc(Br)ccc1-n1cc(-c2oc3nccnc3c2N)nn1,AOCPSANBAIXHAU-UHFFFAOYSA-N
rxn:1:65672:31520,Cc1cc(C=CCn2cc(-c3cncc(Cl)c3N)nn2)cs1,GAWSGMPYQBEBGD-UHFFFAOYSA-N
rxn:1:41711:2055,CC(C)(C)[C@H](N)c1cn(-c2ccc(I)cc2Br)nn1,VTPUJXIKMLFGNK-GFCCVEGCSA-N
rxn:1:41711:8646,NCc1cc(F)ccc1-c1cn(-c2ccc(I)cc2Br)nn1,SUZRVSUIBRGURQ-UHFFFAOYSA-N
rxn:1:41718:12164,COC1(c2cn(-c3cc(Br)ccc3I)nn2)CNC1,WYLZPNQOQPXGRL-UHFFFAOYSA-N
rxn:1:41847:23521,Cc1cnc2oc(-c3cn(CC=Cc4cscc4Br)nn3)c(N)c2c1,YXDPARBDCIWBIW-UHFFFAOYSA-N
rxn:1:41904:31580,N#Cc1cnc(N)c(-c2cn(CC#Cc3ccsc3)nn2)c1Cl,MJOOEACXGRVYNJ-UHFFFAOYSA-N
rxn:1:41916:31930,Cc1cc(C#CCn2cc(-c3cncc(C)c3N)nn2)cs1,IVGHIVSFRSLLIA-UHFFFAOYSA-N
rxn:1:41975:37822,CSc1ncc(-c2cn(CC#Cc3sc(N)nc3C)nn2)c(C)n1,QQUSUOJQNOWXRF-UHFFFAOYSA-N
rxn:1:42547:341,N#Cc1cnc(Cl)c(C#CCn2cc(Cc3ccsc3)nn2)c1,BYNUKHSLIAVENO-UHFFFAOYSA-N
rxn:1:43782:39021,C(#Cc1cccs1)CCn1cc(-c2cnc3[nH]ncc3c2)nn1,FPSAVLJPMNCGOE-UHFFFAOYSA-N
rxn:1:47364:6209,Oc1cc(C(O)C(O)Cn2cc(CNc3cc(-c4ccsc4)ncn3)nn2)cc(F)c1F,TXLYMYYPGDDTGC-UHFFFAOYSA-N
rxn:1:47710:20555,Nc1c(-c2cn(-c3nccc4c(I)c[nH]c34)nn2)cnc(Cl)c1I,OWXMJGVTFHPBGL-UHFFFAOYSA-N
rxn:1:48888:2983,Brc1ccc(Cc2cn(-c3ccc4ncccc4c3)nn2)s1,UAFSOQFHBNHSHS-UHFFFAOYSA-N
rxn:1:49433:4263,Cc1ccc(OCc2cn(C3(CI)CNC3)nn2)c(Br)c1,XFGUZQSHYMMYQI-UHFFFAOYSA-N
rxn:1:51755:357,Cc1ccc(-c2cn(-c3ccc4c(c3)CCN(C)C4)nn2)s1,WJGPWDSOCWUNSL-UHFFFAOYSA-N
rxn:1:54937:39018,c1cc(C2CC2Cn2cc(-c3cc4cn[nH]c4cn3)nn2)cs1,BVJUXXQSBNSWBN-UHFFFAOYSA-N
rxn:1:57010:31224,Cc1nc(-c2cn(CCCc3ccsc3Cl)nn2)ccc1N,NPIPTSFUDIGDOG-UHFFFAOYSA-N
rxn:1:57588:2180,CSCC(N)c1cn(CCCc2c(F)cc(Br)cc2Br)nn1,MIIAEINGMIBATL-UHFFFAOYSA-N
rxn:1:59985:27875,Cc1cc(C)c2cc(-c3cn([C@@H]4CC[C@H]4I)nn3)ccc2n1,ZMZDTMAUQHYWQM-RHSMWYFYSA-N
rxn:1:61533:107,Cc1ccnc2sc(-c3cn(Cc4csc(Cl)n4)nn3)c(N)c12,ZIYOTOMPVQVQJY-UHFFFAOYSA-N
rxn:1:61780:1825,Cc1cc(N)ncc1-c1cn(-c2ccc(F)c(F)c2Br)nn1,MZYULCWPFVIEOT-UHFFFAOYSA-N
rxn:1:61827:31467,NCc1cncc(-c2cn(-c3ccc(I)c(Br)c3)nn2)c1,QGUVCIYLYDSHCJ-UHFFFAOYSA-N
rxn:1:62322:2754,CNCCc1ccc(-n2cc(-c3cc(Br)ccc3O)nn2)cc1,MJDZSPBTQIMVQB-UHFFFAOYSA-N
rxn:1:62688:16990,CCCc1n[nH]cc1-c1cn(-c2cc(I)cc(I)c2I)nn1,ZVODAHJLGQKOOR-UHFFFAOYSA-N
rxn:1:62688:85,NC(C=O)Cc1cn(-c2cc(I)cc(I)c2I)nn1,HRYYFRCDUJHTAS-UHFFFAOYSA-N
rxn:1:63670:7129,FC(F)(F)COc1ccc(-c2cn(Cc3ccc(Br)s3)nn2)cn1,UKEWRZCUDBFPNP-UHFFFAOYSA-N
rxn:1:65438:283,Clc1cc(Cn2cc(Cc3cscn3)nn2)ccc1I,LYKAKWJEWLOTCJ-UHFFFAOYSA-N
rxn:1:65662:31438,N#Cc1cnc(N)c(-c2cn(CC=Cc3cccs3)nn2)c1,XYVIVPZCVJVTTA-UHFFFAOYSA-N
rxn:1:65679:8718,Cc1cc(-c2cn(CC=Cc3ccc(Cl)s3)nn2)cnc1N,RFDOEVFZADGODW-UHFFFAOYSA-N
rxn:1:39975:6089,CCc1cccc(C=CCn2cc(CSc3nc4c(c(=O)n3-c3ccccc3)C3(CCCC3)Cc3ccccc3-4)nn2)c1,CBAUICVBJXPMQR-UHFFFAOYSA-N
rxn:1:41718:31786,NC(CCO)c1cn(-c2cc(Br)ccc2I)nn1,HHCPEYPAVYHFBU-UHFFFAOYSA-N
rxn:1:41904:5562,Brc1nc(Br)n(Cc2cn(CC#Cc3ccsc3)nn2)n1,MBCZZRKJNJXHON-UHFFFAOYSA-N
rxn:1:41917:20594,Cc1sccc1C#CCn1cc(-c2cnc(Cl)cc2N)nn1,UOHKHTYIBAMNIE-UHFFFAOYSA-N
rxn:1:41917:31957,Cc1sccc1C#CCn1cc(-c2cnc(F)cc2N)nn1,CARFFVBINDNTMV-UHFFFAOYSA-N
rxn:1:41923:28568,Fc1cnc(-c2cn(CC#Cc3ccsc3Cl)nn2)c(Cl)c1,BMJFCQPINDHVCE-UHFFFAOYSA-N
rxn:1:42053:1335,Cc1n[nH]c(N)c1C#CCn1cc(-c2ncc(Cl)cc2Br)nn1,SCHCJHNHMREOHS-UHFFFAOYSA-N
rxn:1:43710:1060,Nc1ncnc2[nH]cc(C#CCn3cc(-c4cc(Br)cs4)nn3)c12,MKXQPECGHQNVEB-UHFFFAOYSA-N
rxn:1:47710:23628,CC(c1cn(-c2nccc3c(I)c[nH]c23)nn1)n1cc(Br)cn1,NIPFOHUXSDHIPN-UHFFFAOYSA-N
rxn:1:49433:14232,Cc1c(I)cccc1-c1cn(C2(CI)CNC2)nn1,HSMIZPSUWJNPEN-UHFFFAOYSA-N
rxn:1:49433:18616,CCCn1cc(-c2cn(C3(CI)CNC3)nn2)c(C)n1,SJGLQNZUCQZWKJ-UHFFFAOYSA-N
rxn:1:51755:341,CN1CCc2cc(-n3cc(Cc4ccsc4)nn3)ccc2C1,ACYRCEWVMBTEQC-UHFFFAOYSA-N
rxn:1:57011:368,Cn1cc(-c2cn(CCCc3cscc3Br)nn2)c(N)n1,PJKWVRBXOKPGMU-UHFFFAOYSA-N
rxn:1:57013:39439,Clc1ncc(-c2cn(CCCc3ccc(Br)s3)nn2)cn1,CLHKYKKKEKGMBD-UHFFFAOYSA-N
rxn:1:57015:8718,Cc1cc(-c2cn(CCCc3sccc3Cl)nn2)cnc1N,BBYXWUVTZDYITC-UHFFFAOYSA-N
rxn:1:57359:2089,Cc1csc(-c2cn(CCCc3cnc(Cl)cc3N)nn2)c1,FCXVPRFWSDDUOC-UHFFFAOYSA-N
rxn:1:57362:2983,Nc1ncc(F)cc1CCCn1cc(Cc2ccc(Br)s2)nn1,NQIOPQQGALTUOA-UHFFFAOYSA-N
rxn:1:58690:31438,N#Cc1cnc(N)c(-c2cn(CCCCc3cc(Br)cs3)nn2)c1,WYXQREMDBNGEAY-UHFFFAOYSA-N
rxn:1:59847:31469,Cc1ncc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)cc1N,KAFACWMJZDYCMV-IUODEOHRSA-N
rxn:1:59985:38312,CC(O)c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cn1,IXROOUYZBOJJFX-KHQYTQLFSA-N
rxn:1:61827:11739,CC(CCN)c1cn(-c2ccc(I)c(Br)c2)nn1,UBQVNPVRDLPDSU-UHFFFAOYSA-N
rxn:1:61827:2035,NC1CCC(c2cn(-c3ccc(I)c(Br)c3)nn2)C1,PGAWQKPJWSAWKI-UHFFFAOYSA-N
rxn:1:62322:1429,CNCCc1ccc(-n2cc(-c3cc(Br)c(C)s3)nn2)cc1,MCJJIPRXCQUBDU-UHFFFAOYSA-N
rxn:1:62327:31195,CC(CBr)Cn1cc(-c2ccc3c(c2)CNC3)nn1,WNQGXMDYSBYZGH-UHFFFAOYSA-N
rxn:1:62688:2180,CSCC(N)c1cn(-c2cc(I)cc(I)c2I)nn1,ZIVVUZKSJSVURM-UHFFFAOYSA-N
rxn:1:65661:122,Nc1c(Cl)ncnc1-c1cn(CC=Cc2ccsc2)nn1,ZOSOCRAGTJQFAA-UHFFFAOYSA-N
rxn:1:65678:6378,CCc1cc(-c2cn(CC=Cc3ccsc3Cl)nn2)ncn1,XRJXAMTYGMOHSN-UHFFFAOYSA-N
rxn:1:65679:122,Nc1c(Cl)ncnc1-c1cn(CC=Cc2ccc(Cl)s2)nn1,MLTFXLZWXPWNHO-UHFFFAOYSA-N
rxn:1:41509:4014,Cc1cc(Cl)ccc1N(Cc1cn(CC=Cc2ncc(Br)cn2)nn1)S(=O)(=O)c1ccc(F)cc1,HHGIWYJHCFHVEQ-UHFFFAOYSA-N
rxn:1:41711:2666,Cc1ncncc1-c1cn(-c2ccc(I)cc2Br)nn1,QOLQTDIHFIXPIA-UHFFFAOYSA-N
rxn:1:41791:27778,Cc1nc(-c2cn(CC=Cc3cc(Br)cs3)nn2)nc(N)c1N,WBTSPZVRWKGVKO-UHFFFAOYSA-N
rxn:1:41923:370,Cn1ncc(-c2cn(CC#Cc3ccsc3Cl)nn2)c1N,FLLNBJWXSYMCOC-UHFFFAOYSA-N
rxn:1:41974:28663,CC(C)(CCN)c1cn(-c2ccc(Br)c(Cl)c2)nn1,VKUKQICXFSUTHE-UHFFFAOYSA-N
rxn:1:43630:31454,Nc1nc(Cl)ncc1-c1cn(CC#Cc2cncc(Br)c2)nn1,SDZUUTZDDRPQTJ-UHFFFAOYSA-N
rxn:1:43678:1664,Cc1cc(-c2cn(CC#Cc3ccnc(Cl)c3Cl)nn2)cc(C)c1N,MJVGCFIIVWRKAC-UHFFFAOYSA-N
rxn:1:43730:11848,NC1CCC(c2cn(-c3ccc(Br)cc3I)nn2)CC1,YAIZUZYMSYOFEY-UHFFFAOYSA-N
rxn:1:51755:38843,CN1CCc2cc(-n3cc(-c4ccsc4)nn3)ccc2C1,LUWVENXBHVKACC-UHFFFAOYSA-N
rxn:1:57013:38955,Nc1n[nH]c2ccc(-c3cn(CCCc4ccc(Br)s4)nn3)cc12,TZUOOQNCTUEXFE-UHFFFAOYSA-N
rxn:1:57015:39021,Clc1ccsc1CCCn1cc(-c2cnc3[nH]ncc3c2)nn1,VRWRADVJMOXARA-UHFFFAOYSA-N
rxn:1:57043:31110,Nc1ncc(-c2cn(CCCc3csc(Br)n3)nn2)cc1Cl,APRAIQVKZCGWEU-UHFFFAOYSA-N
rxn:1:57064:31054,Cc1cc(CCCn2cc(-n3cnc4c(N)ncnc43)nn2)sc1Br,CQBZNBRQOMBJGO-UHFFFAOYSA-N
rxn:1:58689:28139,Nc1ncc(-c2cn(CCCCc3ccc(Br)s3)nn2)c(N)n1,KJEQPZNLNXKTFR-UHFFFAOYSA-N
rxn:1:59893:23539,Cc1cc(Cl)cc(Cl)c1-n1cc(-c2oc3nccnc3c2N)nn1,CLCJWTJOSROQCP-UHFFFAOYSA-N
rxn:1:59901:23525,Nc1c(-c2cn(C3CC(F)(F)C3)nn2)oc2ncc(Br)cc12,XGTPIGMTCNYAOI-UHFFFAOYSA-N
rxn:1:60071:7799,Cc1cc(-n2cc(C3(O)CC(F)(F)C3)nn2)cc(C)c1I,PRLLXBGPSNSXJI-UHFFFAOYSA-N
rxn:1:61827:2235,NC1(CC(=O)c2cn(-c3ccc(I)c(Br)c3)nn2)CC1,JMZPCEZEVFMXRX-UHFFFAOYSA-N
rxn:1:61827:38555,CNCCc1cn(-c2ccc(I)c(Br)c2)nn1,RVFXDESTFCHVTA-UHFFFAOYSA-N
rxn:1:61827:4157,C=C(Cl)CNCc1cn(-c2ccc(I)c(Br)c2)nn1,HVRKMKBVLSIAIS-UHFFFAOYSA-N
rxn:1:62322:2756,CNCCc1ccc(-n2cc(-c3sc(C)cc3Br)nn2)cc1,PHQKKKSYXCAPAK-UHFFFAOYSA-N
rxn:1:62446:39921,Ic1ccc(-c2cn(CC3CNCC3c3cccs3)nn2)nn1,UFJSJZVKLVJEQM-UHFFFAOYSA-N
rxn:1:62688:28507,CC(CN)OCc1cn(-c2cc(I)cc(I)c2I)nn1,WSRKROXIALQDBH-UHFFFAOYSA-N
rxn:1:62688:7031,Ic1cc(I)c(I)c(-n2cc(C3CC34CNC4)nn2)c1,KYXUSVGYTVNXFH-UHFFFAOYSA-N
rxn:1:41789:31425,Cc1cc(N)c(-c2cn(CC=Cc3ccc(Br)s3)nn2)cn1,DIWWIHZYCPVKLR-UHFFFAOYSA-N
rxn:1:41917:39297,Cc1noc(N)c1-c1cn(CC#Cc2ccsc2C)nn1,RJJXLYGXDFQOKQ-UHFFFAOYSA-N
rxn:1:41918:85,NC(C=O)Cc1cn(-c2ccc(Cl)cc2I)nn1,KBKAOTODMBOYHA-UHFFFAOYSA-N
rxn:1:41923:23651,Cc1ncc(-c2cn(CC#Cc3ccsc3Cl)nn2)cc1Cl,DYITVUMIZSTMRY-UHFFFAOYSA-N
rxn:1:42288:20555,Cc1cc(N)ccc1C#CCn1cc(-c2cnc(Cl)c(I)c2N)nn1,WQBYSICLWUIFSI-UHFFFAOYSA-N
rxn:1:42579:2756,Cc1cc(Br)c(-c2cn(CC#Cc3cnc(O)c(C#N)c3)nn2)s1,AWKZTOPBHGSJNH-UHFFFAOYSA-N
rxn:1:43719:30483,CCn1cc(-c2cn(-c3ccc(Cl)c(I)c3)nn2)c(C)n1,GCUWHJWPCLOHHO-UHFFFAOYSA-N
rxn:1:43730:6010,NCc1cc(-c2cn(-c3ccc(Br)cc3I)nn2)co1,UGINEPQYPIUCRI-UHFFFAOYSA-N
rxn:1:45310:341,NCCC#Cc1cccc(-n2cc(Cc3ccsc3)nn2)c1,GSLCJEADLYNFSD-UHFFFAOYSA-N
rxn:1:49432:23583,Nc1c(-c2cn(C3(CI)CCNC3)nn2)oc2c1CCCC2,WCPPAMIPDUIKNT-UHFFFAOYSA-N
rxn:1:54969:3803,Cc1cc(-c2cn(CC3CC3c3occc3Br)nn2)ccc1N,UXEQHGLJFXISFG-UHFFFAOYSA-N
rxn:1:55948:27813,CC1(C)CC(O)c2cc(-c3cn(CCI)nn3)ccc21,MVWRUYVLIRJSRP-UHFFFAOYSA-N
rxn:1:57010:37717,Cc1n[nH]c2ncc(-c3cn(CCCc4ccsc4Cl)nn3)cc12,SPDJICLNANYSDT-UHFFFAOYSA-N
rxn:1:58686:122,Nc1c(Cl)ncnc1-c1cn(CCCCc2ccsc2Cl)nn1,UGLRDYYBTKRWPC-UHFFFAOYSA-N
rxn:1:58687:1369,O=c1cnc(-c2cn(CCCCc3cscc3Br)nn2)c[nH]1,KEYAPYFLSXKNLK-UHFFFAOYSA-N
rxn:1:58687:39922,COc1ccc(-c2cn(CCCCc3cscc3Br)nn2)nn1,STFDMTWDBYWFTK-UHFFFAOYSA-N
rxn:1:59909:11720,CC(C)(CN)Cc1cn(-c2cc(Cl)c(Br)cc2Cl)nn1,MEWSWPZYEQYVPZ-UHFFFAOYSA-N
rxn:1:60174:20555,CCCC(CC)n1cc(-c2cnc(Cl)c(I)c2N)nn1,LAHHWFSGIHZEIC-UHFFFAOYSA-N
rxn:1:61827:23837,N[C@@H]1CC[C@H]1c1cn(-c2ccc(I)c(Br)c2)nn1,COTZTQTUZMPDLF-LDYMZIIASA-N
rxn:1:61827:28698,CO[C@H]1CN[C@H](c2cn(-c3ccc(I)c(Br)c3)nn2)C1,NLAAZFLSZVSXHR-SKDRFNHKSA-N
rxn:1:61872:23525,C[Si](C)(C)Cn1cc(-c2oc3ncc(Br)cc3c2N)nn1,PQPGSRAXPVFNLP-UHFFFAOYSA-N
rxn:1:62318:7772,Brc1ccc2c(-c3cn(-c4cccnc4Br)nn3)c[nH]c2c1,YZDRLUHOXPOODN-UHFFFAOYSA-N
rxn:1:62322:3168,CNCCc1ccc(-n2cc(-c3cc(Br)cc(F)c3O)nn2)cc1,TWXKHRAIYNHDMB-UHFFFAOYSA-N
rxn:1:62688:23826,Ic1cc(I)c(I)c(-n2cc(C3(n4ccnc4)CCC3)nn2)c1,KSFDVAKZQKJOEA-UHFFFAOYSA-N
rxn:1:62688:23888,FC[C@H]1CNC[C@H]1c1cn(-c2cc(I)cc(I)c2I)nn1,WAMRKPKJFHOSBB-IONNQARKSA-N
rxn:1:62688:3210,O=C(CNC1CC1)c1cn(-c2cc(I)cc(I)c2I)nn1,RWBMDWQKPYANNY-UHFFFAOYSA-N
rxn:1:62688:39373,CC(N)Cc1cn(-c2cc(I)cc(I)c2I)nn1,CDQKOXXDEUGFIS-UHFFFAOYSA-N
rxn:1:63757:27954,NCC=Cc1ccc(-c2cn(Cc3ccc(Cl)s3)nn2)cc1,SHOVLKDSOFOMHT-UHFFFAOYSA-N
rxn:1:65673:39014,Cc1sccc1C=CCn1cc(-c2cncc3cn[nH]c23)nn1,OVLFBOBHMHYDSI-UHFFFAOYSA-N
rxn:3:64729:36529:77370,Cc1ccc(-c2ccc(-c3cn(CC4CC(=O)N(c5ccc(C(=O)N[C@H]6CC[C@H](OCC7CC7)CC6)cn5)C4)nn3)cc2)c(F)c1,PWZJAWBGALOGOC-QKAVRPDXSA-N
rxn:1:41791:28139,Nc1ncc(-c2cn(CC=Cc3cc(Br)cs3)nn2)c(N)n1,AVNRVIXVEKGVCD-UHFFFAOYSA-N
rxn:1:41836:31063,NCC1CCC(c2cn(-c3cc(F)ccc3Br)nn2)CC1,JVCMVUIQHJGFBH-UHFFFAOYSA-N
rxn:1:41905:24035,CCc1cc(-c2cn(CC#Cc3cccs3)nn2)ccc1N,YASQJSSFRXTXOA-UHFFFAOYSA-N
rxn:1:41923:37759,Oc1cnc(Cl)cc1-c1cn(CC#Cc2ccsc2Cl)nn1,WQZQJZORMGMMBT-UHFFFAOYSA-N
rxn:1:42434:2983,Nc1cc(-n2cc(Cc3ccc(Br)s3)nn2)ccn1,KYOSMCWBPTXFMU-UHFFFAOYSA-N
rxn:1:43671:1517,Nc1ccnc(Cl)c1C#CCn1cc(-c2cccc(I)c2)nn1,RMWLRXYALPJUAA-UHFFFAOYSA-N
rxn:1:43719:11736,NCC1(Cc2cn(-c3ccc(Cl)c(I)c3)nn2)CCC1,JFOWBUIGSULOSA-UHFFFAOYSA-N
rxn:1:43758:39292,CNCC#Cc1cccc(-n2cc(CSC)nn2)c1,HTOGOQSITJJXLB-UHFFFAOYSA-N
rxn:1:43969:3567,Cc1cccc(C#CCCn2cc(COc3c(C(=O)O)cc(Cl)c(C)c3C)nn2)c1C,WBDQEPDIAVUDHM-UHFFFAOYSA-N
rxn:1:49432:31341,Nc1cc(Cl)c(C(F)(F)F)cc1-c1cn(C2(CI)CCNC2)nn1,CQGFFOXOJDDPFK-UHFFFAOYSA-N
rxn:1:50513:31509,OCc1cncc(-c2cn(CCCCCI)nn2)c1,VIEKCHANOLZQOB-UHFFFAOYSA-N
rxn:1:52479:15858,Cc1nn(-c2ccc(O)cc2)cc1-c1cn(Cc2csc(Br)n2)nn1,YECFPSBHCJMAJM-UHFFFAOYSA-N
rxn:1:54960:31837,N#Cc1ncc(-c2cn(CC3CC3c3cscc3Br)nn2)cc1F,ITFBYQLFACSCMP-UHFFFAOYSA-N
rxn:1:54960:39923,Nc1ccc(-c2cn(CC3CC3c3cscc3Br)nn2)nn1,MOLFUSGJVCRQGP-UHFFFAOYSA-N
rxn:1:57017:27779,Cc1nc(-c2cn(CCCc3sccc3Br)nn2)nc2[nH]cnc12,RNRVDBONXXVYLV-UHFFFAOYSA-N
rxn:1:58680:39923,Cc1sccc1CCCCn1cc(-c2ccc(N)nn2)nn1,CDCSQTTZADGHBK-UHFFFAOYSA-N
rxn:1:59915:31168,Cc1cnc(-c2cn(Cc3sc(Br)cc3Br)nn2)cc1N,CPHMNEAZFBRJSW-UHFFFAOYSA-N
rxn:1:59985:32050,C[C@H](N)c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1O,NIFFYNIXVIIRBC-RLCGTCKNSA-N
rxn:1:59985:36144,Cc1ccccc1-c1cncc(-c2cn([C@@H]3CC[C@H]3I)nn2)c1,KYTJUCWKYZSNII-SJLPKXTDSA-N
rxn:1:61827:23893,Brc1cc(-n2cc(C3CCN4CCCC34)nn2)ccc1I,AMCUPAYRYSKPKT-UHFFFAOYSA-N
rxn:1:61827:32146,Brc1cc(-n2cc(C[C@@H]3CCCNC3)nn2)ccc1I,SDQJTKCBGRMKRB-JTQLQIEISA-N
rxn:1:62034:22729,Nc1c(I)c(C2CC2)nn1-c1cncc(-c2cn(C3CCSC3)nn2)c1,CDNCRWQEIIVPJQ-UHFFFAOYSA-N
rxn:1:62322:2788,CNCCc1ccc(-n2cc(-c3cc(Br)cc(Br)c3O)nn2)cc1,GFDWKCONBXBKOQ-UHFFFAOYSA-N
rxn:1:62579:31526,CC(C)(N)Cn1cc(-c2cc(I)cc(I)c2)nn1,BCUVAWKFFLKFLP-UHFFFAOYSA-N
rxn:1:62688:8718,Cc1cc(-c2cn(-c3cc(I)cc(I)c3I)nn2)cnc1N,CJTGFFZZNWKDBS-UHFFFAOYSA-N
rxn:1:63670:27961,CNCC=Cc1ccc(-c2cn(Cc3ccc(Br)s3)nn2)cc1,VPNOYSNTSYMBJJ-UHFFFAOYSA-N
rxn:1:40244:1429,Cc1sc(-c2cn(CC=Cc3cncc(N)c3N)nn2)cc1Br,PEMPQECKERMEAD-UHFFFAOYSA-N
rxn:1:41847:23520,Cc1ccnc2oc(-c3cn(CC=Cc4cscc4Br)nn3)c(N)c12,SZPDUDOFFGTMGD-UHFFFAOYSA-N
rxn:1:41904:39047,COc1ccc(-c2cn(CC#Cc3ccsc3)nn2)cc1N,ITIUSBVIQHGURX-UHFFFAOYSA-N
rxn:1:41923:31454,Nc1nc(Cl)ncc1-c1cn(CC#Cc2ccsc2Cl)nn1,WPLROUYYFSEDNO-UHFFFAOYSA-N
rxn:1:41923:31493,Cc1cc(F)c(-c2cn(CC#Cc3ccsc3Cl)nn2)cc1N,UDSBBYJVKWNONT-UHFFFAOYSA-N
rxn:1:41923:429,Clc1sccc1C#CCn1cc(-c2ncnc3ccncc23)nn1,CZMZWSSOGHAVIT-UHFFFAOYSA-N
rxn:1:41985:2666,Cc1ncncc1-c1cn(-c2cccc(Br)c2C)nn1,RFVWILYOMMMWAL-UHFFFAOYSA-N
rxn:1:42764:8718,Cc1cc(-c2cn(CC#Cc3ccc4ncsc4c3)nn2)cnc1N,VTBDJNVKVCOUAG-UHFFFAOYSA-N
rxn:1:43696:20594,Nc1cc(Cl)ncc1-c1cn(CC#Cc2c(Br)cc(F)cc2Br)nn1,XKZZXEJUNYSCNX-UHFFFAOYSA-N
rxn:1:49432:14360,Fc1c(I)ccc(-c2cn(C3(CI)CCNC3)nn2)c1F,LWKUMAYPEGXSET-UHFFFAOYSA-N
rxn:1:49432:23651,Cc1ncc(-c2cn(C3(CI)CCNC3)nn2)cc1Cl,REQMJLXQSJIVDY-UHFFFAOYSA-N
rxn:1:49433:1730,ICC1(n2cc(-c3ccc(C4CCCN4)cc3)nn2)CNC1,TWVUEMIROJXFGH-UHFFFAOYSA-N
rxn:1:49433:31952,Fc1cc(C2CC2)ccc1-c1cn(C2(CI)CNC2)nn1,MRBVBLPQWQOBIQ-UHFFFAOYSA-N
rxn:1:55948:37798,Cc1c(-c2cn(CCI)nn2)[nH]c2ccccc12,XEMGVJGIYHSPSA-UHFFFAOYSA-N
rxn:1:56989:37737,Clc1ccc2c(-c3cn(CCCc4cccs4)nn3)c[nH]c2n1,CXXCYHKWSVRYCH-UHFFFAOYSA-N
rxn:1:57009:32710,Cc1cscc1CCCn1cc(-c2ncc(O)cc2F)nn1,GQZIPRVADZNZRM-UHFFFAOYSA-N
rxn:1:57011:1369,O=c1cnc(-c2cn(CCCc3cscc3Br)nn2)c[nH]1,PARDLQKSKZESAR-UHFFFAOYSA-N
rxn:1:57011:1731,Nc1nnc(Cl)cc1-c1cn(CCCc2cscc2Br)nn1,DSKDFZJTIDFMAT-UHFFFAOYSA-N
rxn:1:58687:39011,Brc1cscc1CCCCn1cc(-c2cnc3cn[nH]c3c2)nn1,PRLNPTZVSFTVHJ-UHFFFAOYSA-N
rxn:1:58687:8759,Nc1cc(-c2cn(CCCCc3cscc3Br)nn2)ncn1,OUQNWMMVTDXQFG-UHFFFAOYSA-N
rxn:1:59460:32494,C[C@H](N)c1ccc(-c2cn(CC(=O)c3ccsc3)nn2)cc1Cl,OLUWJTFXUFYAHN-JTQLQIEISA-N
rxn:1:59830:31947,Oc1c(Cl)cc(-c2cn(Cc3ccc(Br)o3)nn2)cc1Cl,WKPZEOMOVINFTO-UHFFFAOYSA-N
rxn:1:59856:2788,C[C@@H]1CNC[C@H]1n1cc(-c2cc(Br)cc(Br)c2O)nn1,UTCPQPRFBRRKGS-JMCQJSRRSA-N
rxn:1:59985:16,FC(F)c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)nc1,YWQOLISNCZQLOE-LDYMZIIASA-N
rxn:1:59997:23484,CS[C@@H]1CCC[C@@H]1n1cc(-c2sc3ncc(Br)cc3c2N)nn1,WWFMSCDJSXNYAF-NWDGAFQWSA-N
rxn:1:62688:39296,Cc1nn(C)c(N)c1-c1cn(-c2cc(I)cc(I)c2I)nn1,WELJRXWOTCVWGY-UHFFFAOYSA-N
rxn:1:65672:122,Cc1cc(C=CCn2cc(-c3ncnc(Cl)c3N)nn2)cs1,MUNGCIHCZCVLGJ-UHFFFAOYSA-N
rxn:1:41711:39720,CN1CCCC1c1cncc(-c2cn(-c3ccc(I)cc3Br)nn2)c1,DNIFXLCVOMIZAC-UHFFFAOYSA-N
rxn:1:41904:1335,Clc1cnc(-c2cn(CC#Cc3ccsc3)nn2)c(Br)c1,KPXFNVIWJXUMHP-UHFFFAOYSA-N
rxn:1:41905:14099,CNc1ccc(-c2cn(CC#Cc3cccs3)nn2)cc1C,WVGIIBQKYAZSNF-UHFFFAOYSA-N
rxn:1:41906:1664,Cc1cc(-c2cn(CC#Cc3ccoc3)nn2)cc(C)c1N,USWWCYPIVDTXTB-UHFFFAOYSA-N
rxn:1:41907:2055,CC(C)(C)[C@H](N)c1cn(-c2ccc(I)cc2Cl)nn1,PCGGJTBRIZJESN-GFCCVEGCSA-N
rxn:1:41910:24238,Brc1ccc(I)c(-c2cn(CC#Cc3c[nH]cn3)nn2)c1,GTJQJWGSJQIKEF-UHFFFAOYSA-N
rxn:1:41921:31054,Cc1cscc1C#CCn1cc(-n2cnc3c(N)ncnc32)nn1,RGKLTZGAZVWRML-UHFFFAOYSA-N
rxn:1:47710:38259,COC1CCC1c1cn(-c2nccc3c(I)c[nH]c23)nn1,OAZYMSFLOGTEPZ-UHFFFAOYSA-N
rxn:1:49388:23539,Cc1cc(C)c(-n2cc(-c3oc4nccnc4c3N)nn2)c(Br)c1,GXQZKDNWDIPWOF-UHFFFAOYSA-N
rxn:1:50513:27779,Cc1nc(-c2cn(CCCCCI)nn2)nc2[nH]cnc12,YWDCWVZLAAXOQX-UHFFFAOYSA-N
rxn:1:50513:3935,Cc1nc(N)c(-c2cn(CCCCCI)nn2)c(Cl)n1,OMBLBCBUFNZDIE-UHFFFAOYSA-N
rxn:1:51585:31454,Nc1nc(Cl)ncc1-c1cn(CCC2CC2c2ccsc2Cl)nn1,XGOSWOVVFSANKF-UHFFFAOYSA-N
rxn:1:54960:3674,Nc1ncnc2[nH]cc(-c3cn(CC4CC4c4cscc4Br)nn3)c12,YGVDOSLZNHHULM-UHFFFAOYSA-N
rxn:1:55948:36477,COc1cc(O)ccc1-c1ccc(-c2cn(CCI)nn2)cc1,WABDQAANEVCSHD-UHFFFAOYSA-N
rxn:1:57010:39013,Clc1sccc1CCCn1cc(-c2ccc3[nH]ncc3n2)nn1,WYWZKCFPPRDXME-UHFFFAOYSA-N
rxn:1:57011:31168,Cc1cnc(-c2cn(CCCc3cscc3Br)nn2)cc1N,XDPOSVKFELLVRA-UHFFFAOYSA-N
rxn:1:57050:39923,Cc1cc(CCCn2cc(-c3ccc(N)nn3)nn2)c(C)s1,HSFQODZIZSKHLR-UHFFFAOYSA-N
rxn:1:57359:2756,Cc1cc(Br)c(-c2cn(CCCc3cnc(Cl)cc3N)nn2)s1,CTQFOGBTEOTIDR-UHFFFAOYSA-N
rxn:1:58680:39921,Cc1sccc1CCCCn1cc(-c2ccc(I)nn2)nn1,LUNSPWQMERKANA-UHFFFAOYSA-N
rxn:1:59847:2878,Cc1ccc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)c(O)c1,ALJZMCRWFXLPKD-UKRRQHHQSA-N
rxn:1:59915:13907,NCCOc1ccc(-c2cn(Cc3sc(Br)cc3Br)nn2)cc1,UDGRUXILWBRNIQ-UHFFFAOYSA-N
rxn:1:60071:7792,Cc1cc(-n2cc(C(C)(C)C=O)nn2)cc(C)c1I,HAGKQLMFXYCKLO-UHFFFAOYSA-N
rxn:1:60967:3168,NCc1ccc(-n2cc(-c3cc(Br)cc(F)c3O)nn2)cc1,IHPOXBZLVDREQF-UHFFFAOYSA-N
rxn:1:61518:23525,Nc1c(-c2cn(CC3(F)CCCC3)nn2)oc2ncc(Br)cc12,PSEMXUVCZWZOND-UHFFFAOYSA-N
rxn:1:61872:23484,C[Si](C)(C)Cn1cc(-c2sc3ncc(Br)cc3c2N)nn1,VPVODOODZGRTKR-UHFFFAOYSA-N
rxn:1:65672:37759,Cc1cc(C=CCn2cc(-c3cc(Cl)ncc3O)nn2)cs1,GZYJQXCZBFYIQN-UHFFFAOYSA-N
rxn:1:41718:2035,NC1CCC(c2cn(-c3cc(Br)ccc3I)nn2)C1,HWAFYYVHCUCKKX-UHFFFAOYSA-N
rxn:1:41789:31454,Nc1nc(Cl)ncc1-c1cn(CC=Cc2ccc(Br)s2)nn1,NFXZURVTORZVMY-UHFFFAOYSA-N
rxn:1:41834:2927,CSCCc1cn(CC=Cc2c[nH]c3cc(Br)ccc23)nn1,ISIDBFCEBNLWMT-UHFFFAOYSA-N
rxn:1:41876:357,Cc1ccc(-c2cn(-c3cccc(C=CCN)c3)nn2)s1,TVCZIPTZBGUCIJ-UHFFFAOYSA-N
rxn:1:41917:2513,Cc1nn(C)c(-c2cn(CC#Cc3ccsc3C)nn2)c1N,CUDHIRQXZWVZLN-UHFFFAOYSA-N
rxn:1:41921:3803,Cc1cc(-c2cn(CC#Cc3cscc3C)nn2)ccc1N,UCIOPUDAYMYHSV-UHFFFAOYSA-N
rxn:1:42008:38682,Clc1ccc(C#CCn2cc(-c3cnc4nc[nH]c4c3)nn2)nc1,LKNXEUQXPQFSBW-UHFFFAOYSA-N
rxn:1:42186:20489,Nc1cc(Cl)ncc1C#CCn1cc(-c2ncc(Br)cn2)nn1,JLEYBNDESYKOFY-UHFFFAOYSA-N
rxn:1:42307:39292,CSCc1cn(CC#Cc2cnc(Cl)c(F)c2)nn1,PEEVYHGUSIHDOP-UHFFFAOYSA-N
rxn:1:42975:1148,N#CSc1ccc(N)c(C#CCn2cc(-c3cc(Cl)cs3)nn2)c1,VQJNNTQBIWZJGQ-UHFFFAOYSA-N
rxn:1:47710:39444,CC(C)(C)Cc1cn(-c2nccc3c(I)c[nH]c23)nn1,PGLSVNVYBORTEP-UHFFFAOYSA-N
rxn:1:53562:23085,Brc1ccc(Cn2cc(C34CCC3CNC4)nn2)c(I)c1,HWMNLLHQSSKOOO-UHFFFAOYSA-N
rxn:1:55948:12828,Cc1ccc(F)cc1NC(=O)c1ccc(-c2cn(CCI)nn2)cc1,QWTNTZIXWWPCKJ-UHFFFAOYSA-N
rxn:1:56971:7708,COc1cnc(-c2cn(-c3cccc(C4CC4CBr)c3)nn2)nc1,QJLDBFRNYNVXMZ-UHFFFAOYSA-N
rxn:1:58687:31468,Nc1ccnc(-c2cn(CCCCc3cscc3Br)nn2)n1,OJJDRURMBRSUKB-UHFFFAOYSA-N
rxn:1:59847:23274,Nc1ccc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)nc1F,UWWCLKRQMOAHKS-NOZJJQNGSA-N
rxn:1:59847:32170,Cc1cc(N)c(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)cc1Cl,MZOFGCZVOLDSLF-CZUORRHYSA-N
rxn:1:59850:21046,Cc1ccc(Cn2nc(C3CCC3)cc2-c2cn(CCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)c(Cl)c1,BRJJDDMHHYPWAN-ZLOLNMDISA-N
rxn:1:59853:7771,C[C@@H]1CNC[C@@H]1n1cc(-c2c[nH]c3c(Br)cccc23)nn1,LHLTUVYADSVJJQ-OTYXRUKQSA-N
rxn:1:59915:32043,COc1cc(-c2cn(Cc3sc(Br)cc3Br)nn2)ccc1[C@H](C)N,AIZFENPHDWYRQG-VIFPVBQESA-N
rxn:1:59985:13922,CNc1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)c(C)c1,ONADLTOKFHWDSL-TZMCWYRMSA-N
rxn:1:61780:31518,Cc1ncc(O)cc1-c1cn(-c2ccc(F)c(F)c2Br)nn1,SQECWDSFJGELPM-UHFFFAOYSA-N
rxn:1:62322:3047,CNCCc1ccc(-n2cc(-c3ccc(O)c(Br)c3)nn2)cc1,YWMPQBNXWIRBBY-UHFFFAOYSA-N
rxn:1:62331:31947,COCC(C)Cn1cc(-c2cc(Cl)c(O)c(Cl)c2)nn1,OQNSLXMMUWPMEW-UHFFFAOYSA-N
rxn:1:62688:23679,CCC(C)(OC(N)=O)c1cn(-c2cc(I)cc(I)c2I)nn1,PEAUOVLKAQNQTN-UHFFFAOYSA-N
rxn:1:62688:24354,O=C1NCC2(c3cn(-c4cc(I)cc(I)c4I)nn3)CCC12,MEVTXIFCGZQLNX-UHFFFAOYSA-N
rxn:1:63757:394,Cc1cc2nccn2cc1-c1cn(Cc2ccc(Cl)s2)nn1,FTLCFRRVMJYXBV-UHFFFAOYSA-N
rxn:1:63757:7129,FC(F)(F)COc1ccc(-c2cn(Cc3ccc(Cl)s3)nn2)cn1,CIJJPUVSOFZVJS-UHFFFAOYSA-N
rxn:1:65306:2912,NC1(c2ccc(-c3cn(Cc4cccs4)nn3)cc2)CCC1,OZQSDGIWZOSTJW-UHFFFAOYSA-N
rxn:1:41791:31425,Cc1cc(N)c(-c2cn(CC=Cc3cc(Br)cs3)nn2)cn1,NNARLRNWVVPGBX-UHFFFAOYSA-N
rxn:1:41917:32044,Cc1cc(-c2cn(CC#Cc3ccsc3C)nn2)ccc1CN,VPPDIQFVCOAHNG-UHFFFAOYSA-N
rxn:1:41985:23539,Cc1c(Br)cccc1-n1cc(-c2oc3nccnc3c2N)nn1,HZCBARZDLBRAFH-UHFFFAOYSA-N
rxn:1:43697:11996,NCC1(c2cn(-c3cc(Cl)ccc3I)nn2)CCC1,XAWJDFBUUDVGQE-UHFFFAOYSA-N
rxn:1:43730:11880,NC12CC(c3cn(-c4ccc(Br)cc4I)nn3)(C1)C2,LFQHATPMHAVSMV-UHFFFAOYSA-N
rxn:1:43781:3803,Cc1cc(-c2cn(CCC#Cc3ccsc3)nn2)ccc1N,ZPVAOBPUEFLESM-UHFFFAOYSA-N
rxn:1:47710:39271,BrCC1(Cc2cn(-c3nccc4c(I)c[nH]c34)nn2)CCC1,XAPXZKIIRHPTHP-UHFFFAOYSA-N
rxn:1:47710:39510,CC1(c2cn(-c3nccc4c(I)c[nH]c34)nn2)CCCC1,BQJBLGWQHKPEGY-UHFFFAOYSA-N
rxn:1:48960:8679,Cc1cc(Cl)cnc1-c1cn(CC(O)c2csc(Cl)c2)nn1,ICVMOUKYOCPMBP-UHFFFAOYSA-N
rxn:1:49388:22938,CCc1ccnc(-c2cn(-c3c(C)cc(C)cc3Br)nn2)c1,BLKWJRJLWASENK-UHFFFAOYSA-N
rxn:1:49432:12243,COc1cc(Cl)c(-c2cn(C3(CI)CCNC3)nn2)cc1Cl,ULDMWFVJIFGJQR-UHFFFAOYSA-N
rxn:1:52693:19969,CCc1cc(-c2cn(CCC3CC3c3cccc(C(C)(C)C)c3)nn2)n(C(C)c2cccc(F)c2F)n1,NBADNYWVDSMOSA-UHFFFAOYSA-N
rxn:1:53001:31438,N#Cc1cnc(N)c(-c2cn(CCCCc3ccsc3)nn2)c1,NGWHUCKGUVNINH-UHFFFAOYSA-N
rxn:1:54963:38682,Brc1csc(C2CC2Cn2cc(-c3cnc4nc[nH]c4c3)nn2)c1,GDQAPIBDISKPND-UHFFFAOYSA-N
rxn:1:55948:34625,Cc1cc(I)ccc1C(=O)Nc1ccc(-c2cn(CCI)nn2)nc1,BPAKMMSFFYPWTL-UHFFFAOYSA-N
rxn:1:57010:38620,COc1ccc(-c2cn(CCCc3ccsc3Cl)nn2)cn1,UUFPEROTKQFMTL-UHFFFAOYSA-N
rxn:1:57010:39020,Clc1sccc1CCCn1cc(-c2ccc3cn[nH]c3n2)nn1,WGRFUSUKBQZYNX-UHFFFAOYSA-N
rxn:1:58688:122,Nc1c(Cl)ncnc1-c1cn(CCCCc2ccc(Cl)s2)nn1,WEVMKNJQQWDGAE-UHFFFAOYSA-N
rxn:1:59830:32000,Brc1ccc(Cn2cc(-c3ccc([C@H]4CCCN4)cc3)nn2)o1,CKKYQYKSCRVOEK-OAHLLOKOSA-N
rxn:1:59915:3699,Cc1c(N)cncc1-c1cn(Cc2sc(Br)cc2Br)nn1,RTGCRBLKZVEWHE-UHFFFAOYSA-N
rxn:1:60013:31526,CN[C@H](C)Cn1cc(-c2cc(I)cc(I)c2)nn1,DLXDRHCBCNTGCQ-MRVPVSSYSA-N
rxn:1:61827:11945,CC(C)CC(O)c1cn(-c2ccc(I)c(Br)c2)nn1,OHTHXGPUFJMYRN-UHFFFAOYSA-N
rxn:1:61827:38388,CCC(N)(CC)c1cn(-c2ccc(I)c(Br)c2)nn1,SDQFUWJLCNMANG-UHFFFAOYSA-N
rxn:1:62588:37726,Oc1c(Cl)cc(Cl)cc1-c1cn(C2CCCC2I)nn1,UNPRFKLZTHSGPD-UHFFFAOYSA-N
rxn:1:63670:394,Cc1cc2nccn2cc1-c1cn(Cc2ccc(Br)s2)nn1,ZUUDEUOWGRGGRG-UHFFFAOYSA-N
rxn:1:65469:23538,Nc1c(-c2cn(CCF)nn2)oc2c(I)cncc12,KBTFZDUHAHNDSL-UHFFFAOYSA-N
rxn:1:41711:23088,Brc1cc(I)ccc1-n1cc(C2CC3CNCC3C2)nn1,NGKLVOWIMJILTQ-UHFFFAOYSA-N
rxn:1:41718:11724,NC[C@H]1CC[C@H](c2cn(-c3cc(Br)ccc3I)nn2)CC1,NBJVDRZWVJSXKT-XYPYZODXSA-N
rxn:1:41718:27898,Cn1cc(-c2cn(-c3cc(Br)ccc3I)nn2)cc(N)c1=O,FTESPKXSEAIITC-UHFFFAOYSA-N
rxn:1:41912:7772,Brc1ccc2c(-c3cn(CC#Cc4cscn4)nn3)c[nH]c2c1,UWWUTEXDJMWPHR-UHFFFAOYSA-N
rxn:1:41920:31454,Cc1ccsc1C#CCn1cc(-c2cnc(Cl)nc2N)nn1,WNWJFJZEUQFZDS-UHFFFAOYSA-N
rxn:1:41924:39017,Clc1ccc(C#CCn2cc(-c3nccc4cn[nH]c34)nn2)s1,RUTGBIYWPJOJKT-UHFFFAOYSA-N
rxn:1:42018:2050,Cc1ccc(I)cc1-n1cc(-c2ccc([C@@H](C)N)cc2)nn1,QZZBCXSMOYXQDA-GFCCVEGCSA-N
rxn:1:43686:23539,Cc1cccc(Br)c1-n1cc(-c2oc3nccnc3c2N)nn1,WLXOZGBTIGAMAD-UHFFFAOYSA-N
rxn:1:46766:341,NCCC=Cc1cccc(-n2cc(Cc3ccsc3)nn2)c1,GRDPJJTWCAANJL-UHFFFAOYSA-N
rxn:1:51585:39024,Oc1ccc(-c2cn(CCC3CC3c3ccsc3Cl)nn2)cn1,JIGSMCZYKXNJKT-UHFFFAOYSA-N
rxn:1:52896:412,Cc1cc(C)c(-c2cn(Cc3ccc(C)s3)nn2)cn1,LVEDMONPYUDWAM-UHFFFAOYSA-N
rxn:1:53562:1332,Cc1ncc(-c2cn(Cc3ccc(Br)cc3I)nn2)cn1,XGZUQUBWERNJDW-UHFFFAOYSA-N
rxn:1:55948:16034,CCCc1nn(-c2ccc(-c3cn(CCI)nn3)cc2)cc1N,BHRSZWGVPZOMBU-UHFFFAOYSA-N
rxn:1:55948:23561,Cc1cc(C)c2c(N)c(-c3cn(CCI)nn3)oc2n1,KREBTDJEISCUCX-UHFFFAOYSA-N
rxn:1:57009:31580,Cc1cscc1CCCn1cc(-c2c(N)ncc(C#N)c2Cl)nn1,LJHWAMLETOATOR-UHFFFAOYSA-N
rxn:1:57011:28185,COc1ncc(-c2cn(CCCc3cscc3Br)nn2)nc1OC,OSYZDURDVRYRJK-UHFFFAOYSA-N
rxn:1:57014:38955,Nc1n[nH]c2ccc(-c3cn(CCCc4cc(Br)cs4)nn3)cc12,WJSWAWOMYNDASY-UHFFFAOYSA-N
rxn:1:59847:6378,CCc1cc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)ncn1,LQADNYPWZCFLME-IUODEOHRSA-N
rxn:1:59853:2763,C[C@@H]1CNC[C@@H]1n1cc(-c2cc(Cl)cc(Br)c2O)nn1,WTTPCESUTKBCLL-KRTXAFLBSA-N
rxn:1:59915:2134,CC1NCCCC1C(=O)c1cn(Cc2sc(Br)cc2Br)nn1,NQXHXPABXSTBTM-UHFFFAOYSA-N
rxn:1:59915:394,Cc1cc2nccn2cc1-c1cn(Cc2sc(Br)cc2Br)nn1,KKUNRHSPZCAEQZ-UHFFFAOYSA-N
rxn:1:59985:37233,Cc1nc(O)ccc1-c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1,MOANISNTVMGYPH-NVXWUHKLSA-N
rxn:1:61533:15643,FC(F)c1nn(C2CCSC2)cc1-c1cn(Cc2csc(Cl)n2)nn1,ZPNKAARSLHSWBG-UHFFFAOYSA-N
rxn:1:62588:38492,CC(C)Oc1ccc(-c2cn(C3CCCC3I)nn2)cn1,OIIDDTQHUJEASU-UHFFFAOYSA-N
rxn:1:62688:24176,FC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CNCCC12CCC2,ATOQFHILZAXTQY-UHFFFAOYSA-N
rxn:1:62688:28698,CO[C@H]1CN[C@H](c2cn(-c3cc(I)cc(I)c3I)nn2)C1,RAAZZNVVTVTFTH-SCZZXKLOSA-N
rxn:1:41718:28401,COC(CN)c1cn(-c2cc(Br)ccc2I)nn1,IRSYGHDADGWTDB-UHFFFAOYSA-N
rxn:1:41904:31566,COc1cc(CN)ccc1-c1cn(CC#Cc2ccsc2)nn1,ADJLFOXKSSJZRL-UHFFFAOYSA-N
rxn:1:41923:2051,C[C@H](N)c1ccc(-c2cn(CC#Cc3ccsc3Cl)nn2)cc1,OYBATKBFNYHEJK-LBPRGKRZSA-N
rxn:1:42307:8718,Cc1cc(-c2cn(CC#Cc3cnc(Cl)c(F)c3)nn2)cnc1N,UCDMZHLJSHCEMY-UHFFFAOYSA-N
rxn:1:43680:39328,CC=Cc1cn(CC#Cc2cc(Br)cnc2Cl)nn1,GIYUCBWZIUSFPB-UHFFFAOYSA-N
rxn:1:43719:28663,CC(C)(CCN)c1cn(-c2ccc(Cl)c(I)c2)nn1,LXTAJEVHTBNPKC-UHFFFAOYSA-N
rxn:1:43719:9270,OC(Cc1cn(-c2ccc(Cl)c(I)c2)nn1)C1CC1,FZTIBTZBDSVJEK-UHFFFAOYSA-N
rxn:1:43730:11736,NCC1(Cc2cn(-c3ccc(Br)cc3I)nn2)CCC1,ICLCQNZNDARFPE-UHFFFAOYSA-N
rxn:1:43730:23837,N[C@@H]1CC[C@H]1c1cn(-c2ccc(Br)cc2I)nn1,FSZSYXRGCFVZLA-PSASIEDQSA-N
rxn:1:43730:30291,Cc1nn(C)c(C)c1-c1cn(-c2ccc(Br)cc2I)nn1,MMNDNLGLFCUDJO-UHFFFAOYSA-N
rxn:1:44572:8348,CNc1cc(CC2CCCN(C(=O)c3cn(CCC#Cc4csc5ccccc45)nn3)C2)ncn1,KNGMSHQNLADRQK-UHFFFAOYSA-N
rxn:1:47710:24195,CC1(c2cn(-c3nccc4c(I)c[nH]c34)nn2)COCC1(F)F,WQANIEGJGMFXBR-UHFFFAOYSA-N
rxn:1:47710:2796,CCC1(c2cn(-c3nccc4c(I)c[nH]c34)nn2)CCC1,DESIRKPWNNCKDS-UHFFFAOYSA-N
rxn:1:54960:578,Cc1cnc(-c2cn(CC3CC3c3cscc3Br)nn2)c(N)c1,KQYPKSGHFWMSCJ-UHFFFAOYSA-N
rxn:1:54985:20555,Nc1c(-c2cn(CC3CC3c3cc(Br)c[nH]3)nn2)cnc(Cl)c1I,OQRKLZFDWDGPHT-UHFFFAOYSA-N
rxn:1:56080:31526,NCC1(Cn2cc(-c3cc(I)cc(I)c3)nn2)CC1,CDSJDTQELMRBBD-UHFFFAOYSA-N
rxn:1:57010:31054,Nc1ncnc2c1ncn2-c1cn(CCCc2ccsc2Cl)nn1,XXVXMWSNWDKIBH-UHFFFAOYSA-N
rxn:1:58687:27889,Oc1cc(-c2cn(CCCCc3cscc3Br)nn2)ncc1Cl,CGFDERIVSHCLAW-UHFFFAOYSA-N
rxn:1:59827:7772,Brc1ccc2c(-c3cn([C@H]4CCCNC4)nn3)c[nH]c2c1,GWEHDUPWIGYPIH-NSHDSACASA-N
rxn:1:59915:6258,C=CCNc1cc(-c2cn(Cc3sc(Br)cc3Br)nn2)ncn1,NROCQWZROCDXOC-UHFFFAOYSA-N
rxn:1:61887:3168,NC12CCC(n3cc(-c4cc(Br)cc(F)c4O)nn3)(CC1)C2,FWNUIXXQZBICPA-UHFFFAOYSA-N
rxn:1:62688:31467,NCc1cncc(-c2cn(-c3cc(I)cc(I)c3I)nn2)c1,PRBKRWBHRIIHRX-UHFFFAOYSA-N
rxn:1:62688:8608,CN(C)C1(c2cn(-c3cc(I)cc(I)c3I)nn2)CCOC1,HMRQOLJLSWACJL-UHFFFAOYSA-N
rxn:1:63670:582,Cc1cc2[nH]ccc2nc1-c1cn(Cc2ccc(Br)s2)nn1,JPGOIQVMDARPHW-UHFFFAOYSA-N
rxn:1:63670:5962,Brc1ccc(Cn2cc(-c3cncc(C4CCCN4)c3)nn2)s1,KUUKKHGGGAUKBP-UHFFFAOYSA-N
rxn:1:63757:1853,Nc1ncc(-c2cn(Cc3ccc(Cl)s3)nn2)cc1Br,BMHASAWTYOPCQI-UHFFFAOYSA-N
rxn:1:64596:20594,Nc1cc(Cl)ncc1-c1cn(Cc2ccccc2I)nn1,BYOGUUCJTBBAEL-UHFFFAOYSA-N
rxn:1:65013:23844,NC12C3C4C1C1C2C3C41c1cn(-c2cccc(I)c2)nn1,RKFLQHZOXWYSTA-UHFFFAOYSA-N
rxn:1:41711:31936,Cc1cc(C=O)ccc1-c1cn(-c2ccc(I)cc2Br)nn1,MVNPTDKAABQXAV-UHFFFAOYSA-N
rxn:1:41718:257,Cn1ncnc1Cc1cn(-c2cc(Br)ccc2I)nn1,ZOVVBBJAFYIIAD-UHFFFAOYSA-N
rxn:1:41723:11880,NC12CC(c3cn(-c4ccc(F)cc4I)nn3)(C1)C2,SAGCLFAEUDGPKN-UHFFFAOYSA-N
rxn:1:41767:37717,Cc1n[nH]c2ncc(-c3cn(CC=Cc4cccc(Br)n4)nn3)cc12,MCIHIKPWVBHEDH-UHFFFAOYSA-N
rxn:1:41785:23539,Cc1cc(C=CCn2cc(-c3oc4nccnc4c3N)nn2)sc1Br,OFWJURJPXKTZCP-UHFFFAOYSA-N
rxn:1:41791:8718,Cc1cc(-c2cn(CC=Cc3cc(Br)cs3)nn2)cnc1N,AYJGYSXTDBWSSK-UHFFFAOYSA-N
rxn:1:42029:1405,Cc1ccc(-n2cc(C3(O)CC(C)(C)CC3C)nn2)cc1I,TWUXMMGDPVWDDT-UHFFFAOYSA-N
rxn:1:43670:39921,Nc1ncc(Br)cc1C#CCn1cc(-c2ccc(I)nn2)nn1,NDBATAFWJRAZGR-UHFFFAOYSA-N
rxn:1:43741:340,Clc1nc(Cl)c2c(C#CCn3cc(Cc4cccs4)nn3)c[nH]c2n1,MQWXEGKKMZHXDG-UHFFFAOYSA-N
rxn:1:47710:1227,CC1(C)CCC(O)(c2cn(-c3nccc4c(I)c[nH]c34)nn2)C1,CHVVPGOAFKPBAQ-UHFFFAOYSA-N
rxn:1:47710:2511,CC1(c2cn(-c3nccc4c(I)c[nH]c34)nn2)CCCO1,NMHFZUQDTDMRTO-UHFFFAOYSA-N
rxn:1:47710:37767,CC1(C)[C@H]2CC=C(c3cn(-c4nccc5c(I)c[nH]c45)nn3)[C@@H]1C2,LQCGFXFRDGPRBB-GWCFXTLKSA-N
rxn:1:47710:710,CCC(C)Cc1cn(-c2nccc3c(I)c[nH]c23)nn1,PLKIMBSBTBIPAW-UHFFFAOYSA-N
rxn:1:52896:3947,Cc1ccc(Cn2cc(-c3c(C)nc(Cl)nc3N)nn2)s1,MDEASQWVMYQNBD-UHFFFAOYSA-N
rxn:1:53023:25309,COc1ccc(OC)c(N2CC(c3cn(CCC4CC4c4cc([N+](=O)[O-])c(C)cc4F)nn3)CC2=O)c1,JHZAMJRXQGGJJY-UHFFFAOYSA-N
rxn:1:54959:32091,N#Cc1ccc(N)c(-c2cn(CC3CC3c3ccsc3Cl)nn2)c1,GEIKOQYDYOKCSD-UHFFFAOYSA-N
rxn:1:56377:1853,Nc1ncc(-c2cn(CCCSc3cccs3)nn2)cc1Br,YBUHJYIGSBCGMJ-UHFFFAOYSA-N
rxn:1:57004:31110,Cc1sccc1CCCn1cc(-c2cnc(N)c(Cl)c2)nn1,XRIQETPPEZNKKC-UHFFFAOYSA-N
rxn:1:57011:1825,Cc1cc(N)ncc1-c1cn(CCCc2cscc2Br)nn1,JAWNJRRLAHEXQJ-UHFFFAOYSA-N
rxn:1:58687:31580,N#Cc1cnc(N)c(-c2cn(CCCCc3cscc3Br)nn2)c1Cl,IGHRYEHKWQEXFF-UHFFFAOYSA-N
rxn:1:58687:37751,COc1nccc(-c2cn(CCCCc3cscc3Br)nn2)n1,MIEDGROEDTVBAE-UHFFFAOYSA-N
rxn:1:59985:23518,Nc1c(-c2cn([C@@H]3CC[C@H]3I)nn2)oc2ncccc12,QGUYFNMTDSWZFK-PSASIEDQSA-N
rxn:1:59985:38529,Cc1c(Br)cncc1-c1cn([C@@H]2CC[C@H]2I)nn1,CUJZXDBWHKLVMM-ZYHUDNBSSA-N
rxn:1:61827:38424,CC(C)N(C)Cc1cn(-c2ccc(I)c(Br)c2)nn1,BODNRVKCIMBERE-UHFFFAOYSA-N
rxn:1:61827:6093,Cc1n[nH]c(C)c1-c1cn(-c2ccc(I)c(Br)c2)nn1,OOLFWHDURUBTLF-UHFFFAOYSA-N
rxn:1:61827:80,Nc1c(Cl)ncnc1NCc1cn(-c2ccc(I)c(Br)c2)nn1,BUPZEJBJAYMPKT-UHFFFAOYSA-N
rxn:1:62688:12172,NC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CCSC1,BKKCKSGJJUVPIC-UHFFFAOYSA-N
rxn:1:62688:28642,NC1CCc2cc(-c3cn(-c4cc(I)cc(I)c4I)nn3)ccc21,KPKPRDKFDXAQAN-UHFFFAOYSA-N
rxn:1:40439:1148,CSc1ncc(C=CCn2cc(-c3cc(Cl)cs3)nn2)c(Cl)n1,BAJJFDHIJGEWQE-UHFFFAOYSA-N
rxn:1:41326:20555,Cc1ccc(Cl)cc1-n1cc(-c2cnc(Cl)c(I)c2N)nn1,WXBHHITVEMBHFD-UHFFFAOYSA-N
rxn:1:41711:6187,OC1(c2cn(-c3ccc(I)cc3Br)nn2)CCSC1,NZMSSIUJFCRGKR-UHFFFAOYSA-N
rxn:1:41745:8833,NCc1ccccc1-c1cn(-c2ccc(Cl)c(Br)c2)nn1,NNNCXVYJZPAOHR-UHFFFAOYSA-N
rxn:1:41912:20555,Nc1c(-c2cn(CC#Cc3cscn3)nn2)cnc(Cl)c1I,MHTMOPBNLUAHHV-UHFFFAOYSA-N
rxn:1:41925:31937,Cc1cc(Cl)ncc1-c1cn(CC#Cc2cnc(N)s2)nn1,DGYQXFSDBVTWFO-UHFFFAOYSA-N
rxn:1:41937:31279,Cc1cnc(C#CCn2cc(-c3cnc(Cl)c(F)c3N)nn2)s1,LYTJOLUKXIQCSO-UHFFFAOYSA-N
rxn:1:42018:23539,Cc1ccc(I)cc1-n1cc(-c2oc3nccnc3c2N)nn1,RPJCAOGQZABDCB-UHFFFAOYSA-N
rxn:1:43719:11740,CC(CN)c1cn(-c2ccc(Cl)c(I)c2)nn1,LTLRZMYZHYRROQ-UHFFFAOYSA-N
rxn:1:43730:11723,Cn1cc(-c2cn(-c3ccc(Br)cc3I)nn2)c(CN)n1,ZWKCVKUNVDCBNB-UHFFFAOYSA-N
rxn:1:47710:2099,CC(c1cn(-c2nccc3c(I)c[nH]c23)nn1)C1CCC1,IFKLQDUPVFRDQD-UHFFFAOYSA-N
rxn:1:47710:3026,CSCC(C)c1cn(-c2nccc3c(I)c[nH]c23)nn1,RWZKZKOVQQPESN-UHFFFAOYSA-N
rxn:1:47710:3157,CC(F)(F)C(C)(C)c1cn(-c2nccc3c(I)c[nH]c23)nn1,IXRQMSYFQBPTII-UHFFFAOYSA-N
rxn:1:47710:6513,CC(C)(CC(F)F)c1cn(-c2nccc3c(I)c[nH]c23)nn1,MJCRTQSZRVDJCV-UHFFFAOYSA-N
rxn:1:47710:6547,CC(C)(CBr)Cc1cn(-c2nccc3c(I)c[nH]c23)nn1,XZTDFPUWTDLXAE-UHFFFAOYSA-N
rxn:1:47710:8627,COc1ccc(-c2cn(-c3nccc4c(I)c[nH]c34)nn2)c(C)n1,HJRVPCUXFDRSPQ-UHFFFAOYSA-N
rxn:1:47710:8665,CSC1(c2cn(-c3nccc4c(I)c[nH]c34)nn2)CCC1,QJQNDQBBEVSECG-UHFFFAOYSA-N
rxn:1:51586:31438,N#Cc1cnc(N)c(-c2cn(CCC3CC3c3cscc3Br)nn2)c1,XMGYUNSSXREXIG-UHFFFAOYSA-N
rxn:1:54892:31947,Oc1c(Cl)cc(-c2cn(CCC3CC3(F)F)nn2)cc1Cl,RSAUYMWXVUMRFJ-UHFFFAOYSA-N
rxn:1:54959:31836,Cc1cc(C#N)ncc1-c1cn(CC2CC2c2ccsc2Cl)nn1,HURLPSACDONFSY-UHFFFAOYSA-N
rxn:1:57017:28139,Nc1ncc(-c2cn(CCCc3sccc3Br)nn2)c(N)n1,BLKSWNSQIPUCLK-UHFFFAOYSA-N
rxn:1:61884:2955,C=C=CCCn1cc(-c2c[nH]c3cc(Cl)ccc23)nn1,HMCNESUQEOQNLP-UHFFFAOYSA-N
rxn:1:62688:1022,CCN(C)CCc1cn(-c2cc(I)cc(I)c2I)nn1,VGJJCXCQFGOVIV-UHFFFAOYSA-N
rxn:1:62688:7028,OCC(Cc1cn(-c2cc(I)cc(I)c2I)nn1)CC(F)(F)F,JVELIDBHQNGVCQ-UHFFFAOYSA-N
rxn:1:65661:38751,Nc1ccc(CO)cc1-c1cn(CC=Cc2ccsc2)nn1,QQGKOMWPVVFYSQ-UHFFFAOYSA-N
rxn:1:40499:39921,Cc1c(N)cc(F)cc1C=CCn1cc(-c2ccc(I)nn2)nn1,IVQPOIAIZUMCFW-UHFFFAOYSA-N
rxn:1:40750:39921,CC1CCCCC1(C)n1cc(-c2ccc(I)nn2)nn1,DPHMJEOWIPNLME-UHFFFAOYSA-N
rxn:1:41904:31811,CC(N)c1ccc(-c2cn(CC#Cc3ccsc3)nn2)cc1Cl,OEXKEXUTPBYMTD-UHFFFAOYSA-N
rxn:1:41923:2989,CC(N)c1ccc(-c2cn(CC#Cc3ccsc3Cl)nn2)cc1,OYBATKBFNYHEJK-UHFFFAOYSA-N
rxn:1:42389:20489,Fc1c(Cl)cc(C#CCn2cc(-c3ncc(Br)cn3)nn2)cc1Cl,AMSQTHFDTFYNRB-UHFFFAOYSA-N
rxn:1:43730:12136,FC1(c2cn(-c3ccc(Br)cc3I)nn2)CCCNC1,PYOYMVXCZBUEBT-UHFFFAOYSA-N
rxn:1:47710:38958,CCC1(c2cn(-c3nccc4c(I)c[nH]c34)nn2)COC1,KHHHQSGHCFPDNO-UHFFFAOYSA-N
rxn:1:47710:39534,CC(C)C1(c2cn(-c3nccc4c(I)c[nH]c34)nn2)CC1,IGHXCYWCRWMYEY-UHFFFAOYSA-N
rxn:1:49433:2046,C[C@H](N)c1cccc(-c2cn(C3(CI)CNC3)nn2)c1,SGDNVRZMEPMAIL-JTQLQIEISA-N
rxn:1:51586:38802,Nc1ccc(-c2cn(CCC3CC3c3cscc3Br)nn2)nc1,WQVPVYBWIIVYOH-UHFFFAOYSA-N
rxn:1:53562:1827,Oc1cncc(-c2cn(Cc3ccc(Br)cc3I)nn2)c1,BEKYZNKEXQTNTI-UHFFFAOYSA-N
rxn:1:57010:8718,Cc1cc(-c2cn(CCCc3ccsc3Cl)nn2)cnc1N,JUCCYNFHEYAJSF-UHFFFAOYSA-N
rxn:1:57011:31957,Nc1cc(F)ncc1-c1cn(CCCc2cscc2Br)nn1,KAAIPQJCBVHAAA-UHFFFAOYSA-N
rxn:1:57013:39278,CCC(N)c1cn(CCCc2ccc(Br)s2)nn1,GTMRGPVJZACARP-UHFFFAOYSA-N
rxn:1:57500:31438,N#Cc1cnc(N)c(-c2cn(CCCc3cc(Cl)ncc3Br)nn2)c1,FNRVOERMYVEKRH-UHFFFAOYSA-N
rxn:1:58720:3819,C[C@@H](N)c1cn(CCCCc2cc(Br)c(Br)s2)nn1,YHKGETSUKBARAW-MRVPVSSYSA-N
rxn:1:59163:31197,Oc1cnc(-c2cn(CCCCc3c(Br)cc(F)cc3Br)nn2)nc1,GABABAFTIHGYGF-UHFFFAOYSA-N
rxn:1:59856:3127,C[C@@H]1CNC[C@H]1n1cc(-c2ccc(OC(F)F)c(Cl)c2)nn1,PMRUUBFECPSACK-PRHODGIISA-N
rxn:1:59985:28271,CSc1nc2ccc(-c3cn([C@@H]4CC[C@H]4I)nn3)cc2s1,CZHNMOUOFRBTNA-BXKDBHETSA-N
rxn:1:60071:39327,Cc1cc(-n2cc(C3(O)CCC3)nn2)cc(C)c1I,VRFGUHUWCAOBEK-UHFFFAOYSA-N
rxn:1:61573:20555,Nc1c(-c2cn(CCCC(=O)c3cccs3)nn2)cnc(Cl)c1I,BDHXXSKZXIRIMR-UHFFFAOYSA-N
rxn:1:62034:32494,C[C@H](N)c1ccc(-c2cn(C3CCSC3)nn2)cc1Cl,RUBSKZHGGJQFHD-FTNKSUMCSA-N
rxn:1:62399:24238,N[C@H]1C[C@@H](n2cc(-c3cc(Br)ccc3I)nn2)C1,ZDRSKCRVDAVWBI-DTORHVGOSA-N
rxn:1:62688:23806,Ic1cc(I)c(I)c(-n2cc(C3(n4cncn4)CC3)nn2)c1,OWRHJICMLZCZIF-UHFFFAOYSA-N
rxn:3:41110:37772:73742,COc1ccc(C=CCn2cc(-c3ccc(C(C)(F)F)cc3)nn2)c(C(=O)NC(c2ccsc2)C2CCOCC2)c1,ZNAPHCQPIURPQG-UHFFFAOYSA-N
rxn:1:40235:35342,Nc1nc(Cl)ncc1C=CCn1cc(-c2ccc(Cl)s2)nn1,RQFJSLYUWDRPPZ-UHFFFAOYSA-N
rxn:1:41673:39921,CC1CC(C)CC(n2cc(-c3ccc(I)nn3)nn2)C1,NEYOMVANXQAXFT-UHFFFAOYSA-N
rxn:1:41711:39855,O=C(NC1CC1)c1cn(-c2ccc(I)cc2Br)nn1,BJHRWILMIVSLAE-UHFFFAOYSA-N
rxn:1:41711:665,NC1CCCCC1c1cn(-c2ccc(I)cc2Br)nn1,RWGSNBXBJAVPAJ-UHFFFAOYSA-N
rxn:1:41711:7282,CC(C)(C)[C@@H](N)c1cn(-c2ccc(I)cc2Br)nn1,VTPUJXIKMLFGNK-LBPRGKRZSA-N
rxn:1:41723:31930,Cc1cncc(-c2cn(-c3ccc(F)cc3I)nn2)c1N,RKTQDBUCZOHQBT-UHFFFAOYSA-N
rxn:1:41791:32044,Cc1cc(-c2cn(CC=Cc3cc(Br)cs3)nn2)ccc1CN,LENGGSINSOSGOH-UHFFFAOYSA-N
rxn:1:41876:2176,Cc1cc(-c2cn(-c3cccc(C=CCN)c3)nn2)c(C)s1,CFJUTOXKEZTLMB-UHFFFAOYSA-N
rxn:1:41917:2695,Cc1sccc1C#CCn1cc(-c2cc(Cl)nc(Cl)c2)nn1,VAOPMRKZDPBYHO-UHFFFAOYSA-N
rxn:1:41919:31957,Cc1ccc(C#CCn2cc(-c3cnc(F)cc3N)nn2)s1,TWDKPKDSRNZXRW-UHFFFAOYSA-N
rxn:1:42186:180,Nc1cc(Cl)ncc1C#CCn1cc(-c2ccc(C(F)(F)F)s2)nn1,KFYBZVWYYZHDRG-UHFFFAOYSA-N
rxn:1:42189:39921,Nc1ncc(F)cc1C#CCn1cc(-c2ccc(I)nn2)nn1,CPRIVECLMFPPQE-UHFFFAOYSA-N
rxn:1:43799:31821,N#Cc1ncc(-c2cn(CCC#Cc3ccsc3Cl)nn2)cc1Cl,QKWGYTZUMCNCJC-UHFFFAOYSA-N
rxn:1:45213:2983,CCCN1C(=O)C(Cl)=C(n2cc(Cc3ccc(Br)s3)nn2)C1O,CLTRVHANVJGHNI-UHFFFAOYSA-N
rxn:1:47710:879,CCC(CC)c1cn(-c2nccc3c(I)c[nH]c23)nn1,IJLZSOVGPGLONB-UHFFFAOYSA-N
rxn:1:49432:23537,Nc1c(-c2cn(C3(CI)CCNC3)nn2)oc2c(Cl)cncc12,AUULZXLDUYXINK-UHFFFAOYSA-N
rxn:1:49432:5861,Clc1ccnc2ccc(-c3cn(C4(CI)CCNC4)nn3)cc12,QVNAZAJCAYQGNW-UHFFFAOYSA-N
rxn:1:49432:793,Fc1c(-c2cn(C3(CI)CCNC3)nn2)ccc(Br)c1Cl,KBPIDYLSPFANKK-UHFFFAOYSA-N
rxn:1:54961:31438,N#Cc1cnc(N)c(-c2cn(CC3CC3c3ccc(Cl)s3)nn2)c1,WRNWHPIBBGNSJJ-UHFFFAOYSA-N
rxn:1:57363:7805,Nc1ncc(Br)cc1CCCn1cc(-c2csc(CF)n2)nn1,XDWRHZUNZLSHCV-UHFFFAOYSA-N
rxn:1:58687:31454,Nc1nc(Cl)ncc1-c1cn(CCCCc2cscc2Br)nn1,WBQNRVOUJKCZOG-UHFFFAOYSA-N
rxn:1:58687:3915,Oc1ncc(-c2cn(CCCCc3cscc3Br)nn2)cc1F,JOZXPGAVKKBPHZ-UHFFFAOYSA-N
rxn:1:58787:39921,Fc1ccc(CCCCn2cc(-c3ccc(I)nn3)nn2)nc1,PMYFTMDRQDLCMM-UHFFFAOYSA-N
rxn:1:62321:2180,CSCC(N)c1cn(-c2cnc(Cl)c(Br)c2)nn1,OCWMYGBQLQXVSY-UHFFFAOYSA-N
rxn:1:62588:20594,Nc1cc(Cl)ncc1-c1cn(C2CCCC2I)nn1,NYZBTCIVHTZWPV-UHFFFAOYSA-N
rxn:1:63670:31110,Nc1ncc(-c2cn(Cc3ccc(Br)s3)nn2)cc1Cl,YERPCDGXWIKQNP-UHFFFAOYSA-N
rxn:1:41718:8798,NCc1cccc(-c2cn(-c3cc(Br)ccc3I)nn2)c1,OUQCNMQAXHHJGZ-UHFFFAOYSA-N
rxn:1:41923:2050,C[C@@H](N)c1ccc(-c2cn(CC#Cc3ccsc3Cl)nn2)cc1,OYBATKBFNYHEJK-GFCCVEGCSA-N
rxn:1:41923:28185,COc1ncc(-c2cn(CC#Cc3ccsc3Cl)nn2)nc1OC,CFCIGPDCJXRGNS-UHFFFAOYSA-N
rxn:1:41924:370,Cn1ncc(-c2cn(CC#Cc3ccc(Cl)s3)nn2)c1N,FEGJAKNSCTZVQQ-UHFFFAOYSA-N
rxn:1:42196:39921,Nc1cc(F)cnc1C#CCn1cc(-c2ccc(I)nn2)nn1,OERIKRGZIXIBEY-UHFFFAOYSA-N
rxn:1:42845:565,Nc1ncnc2[nH]nc(C#CCn3cc(-c4csc(Cl)c4)nn3)c12,WOBFSUBTIPMCTI-UHFFFAOYSA-N
rxn:1:42846:2983,Clc1ncnc2c(C#CCn3cc(Cc4ccc(Br)s4)nn3)c[nH]c12,KOPSHMPWHLUWMP-UHFFFAOYSA-N
rxn:1:43719:2235,NC1(CC(=O)c2cn(-c3ccc(Cl)c(I)c3)nn2)CC1,WEGVIWYCDXWUPZ-UHFFFAOYSA-N
rxn:1:47710:14979,Ic1c[nH]c2c(-n3cc(C45CCC(CC4)C5)nn3)nccc12,ADKNJAXTTWRLEF-UHFFFAOYSA-N
rxn:1:47710:2121,CC(C)(c1cn(-c2nccc3c(I)c[nH]c23)nn1)C1CC1,IFQQZKUZJKICEA-UHFFFAOYSA-N
rxn:1:47710:2671,CCOC(C)c1cn(-c2nccc3c(I)c[nH]c23)nn1,REPGGHRDPWDFMK-UHFFFAOYSA-N
rxn:1:47710:7252,CC(C)[C@H](N)c1cn(-c2nccc3c(I)c[nH]c23)nn1,BRNDQWNUXHQPTD-NSHDSACASA-N
rxn:1:51755:39073,CN1CCc2cc(-n3cc(-c4ncc(Cl)cc4N)nn3)ccc2C1,LGHMZUDIVCMDJZ-UHFFFAOYSA-N
rxn:1:52753:37737,Clc1ccc2c(-c3cn(Cc4ccco4)nn3)c[nH]c2n1,LEBRPOWPBKKXBT-UHFFFAOYSA-N
rxn:1:53562:38722,Nc1cncc(-c2cn(Cc3ccc(Br)cc3I)nn2)c1,RNVFPVUQEOFYNR-UHFFFAOYSA-N
rxn:1:55399:2089,Cc1csc(-c2cn(CC3CC3c3ccc(Br)cc3N)nn2)c1,GSWNORCKXPEZFA-UHFFFAOYSA-N
rxn:1:55948:18170,CC(C)c1cnn(-c2ccc(-c3cn(CCI)nn3)cc2)c1,TWBUAJJOUHFQBV-UHFFFAOYSA-N
rxn:1:55948:18207,CC(C)c1cnn(-c2ccc(-c3cn(CCI)nn3)cc2)c1Br,RRTGONBPZQVJNQ-UHFFFAOYSA-N
rxn:1:56986:6187,OC1(c2cn(-c3cccc(CCCS)c3)nn2)CCSC1,NMNKLQZNRYSHQP-UHFFFAOYSA-N
rxn:1:57011:6373,Cc1cc(-c2cn(CCCc3cscc3Br)nn2)n2ncnc2n1,JUXHSGBWNNATRU-UHFFFAOYSA-N
rxn:1:57064:122,Cc1cc(CCCn2cc(-c3ncnc(Cl)c3N)nn2)sc1Br,LQAFWKOBXURUSF-UHFFFAOYSA-N
rxn:1:58687:38682,Brc1cscc1CCCCn1cc(-c2cnc3nc[nH]c3c2)nn1,ZCLQZXDNUQMLMI-UHFFFAOYSA-N
rxn:1:62588:37481,Cc1ccc(O)c(-c2ccc(-c3cn(C4CCCC4I)nn3)nc2)c1,AWLNQHVQYJTULH-UHFFFAOYSA-N
rxn:1:62688:31551,Cc1ccc(C=O)cc1-c1cn(-c2cc(I)cc(I)c2I)nn1,SUOQHEGPEYVSNL-UHFFFAOYSA-N
rxn:1:65677:39018,Cc1cscc1C=CCn1cc(-c2cc3cn[nH]c3cn2)nn1,HTGQBPZGXDNIKT-UHFFFAOYSA-N
rxn:1:41624:1825,Cc1cc(N)ncc1-c1cn(-c2ccc(Br)cc2Br)nn1,KSLARSCWEZALTH-UHFFFAOYSA-N
rxn:1:41711:11739,CC(CCN)c1cn(-c2ccc(I)cc2Br)nn1,KBSPDHYCNLFQAP-UHFFFAOYSA-N
rxn:1:41718:23085,Brc1ccc(I)c(-n2cc(C34CCC3CNC4)nn2)c1,HZGLVPLIPWNLPL-UHFFFAOYSA-N
rxn:1:41847:31452,Cc1cc(CO)ccc1-c1cn(CC=Cc2cscc2Br)nn1,QIOXVEUWZRXMEJ-UHFFFAOYSA-N
rxn:1:41847:31498,COc1cc(-c2cn(CC=Cc3cscc3Br)nn2)cnc1Cl,KWMSOMDMWBUHMU-UHFFFAOYSA-N
rxn:1:41916:12246,Cc1cc(C#CCn2cc(-c3nccc(C)c3N)nn2)cs1,KQGJNSDOAARGEP-UHFFFAOYSA-N
rxn:1:41923:27791,Cc1n[nH]c2nc(-c3cn(CC#Cc4ccsc4Cl)nn3)ncc12,DAZLVYANGQHZAM-UHFFFAOYSA-N
rxn:1:42015:20555,Cc1nc(C#CCn2cc(-c3cnc(Cl)c(I)c3N)nn2)sc1C,ISCNVNARAPTFPF-UHFFFAOYSA-N
rxn:1:42186:1674,Nc1cc(Cl)ncc1C#CCn1cc(-c2ccc(I)o2)nn1,FWWKAKUCQHKDHR-UHFFFAOYSA-N
rxn:1:42723:20489,COc1ccc(N)cc1C#CCn1cc(-c2ncc(Br)cn2)nn1,JUSGUSGPOCKPIZ-UHFFFAOYSA-N
rxn:1:43710:8557,Nc1ncnc2[nH]cc(C#CCn3cc(-c4csc(Br)c4)nn3)c12,MTKWQUAZYJYDSL-UHFFFAOYSA-N
rxn:1:47710:11752,Ic1c[nH]c2c(-n3cc(CC4CCOC4)nn3)nccc12,OJOAPHZKTVACGI-UHFFFAOYSA-N
rxn:1:47710:13955,CCCC(C)c1cn(-c2nccc3c(I)c[nH]c23)nn1,VIXVRHCNKQDADJ-UHFFFAOYSA-N
rxn:1:47710:3045,FC1(F)CC(CCc2cn(-c3nccc4c(I)c[nH]c34)nn2)C1,QPHJCWPLAOSECC-UHFFFAOYSA-N
rxn:1:47710:38940,Ic1c[nH]c2c(-n3cc(CC4CCCC4)nn3)nccc12,GDXTTYJKCLHDFQ-UHFFFAOYSA-N
rxn:1:49432:7771,Brc1cccc2c(-c3cn(C4(CI)CCNC4)nn3)c[nH]c12,RLDHTHIXDBCEBI-UHFFFAOYSA-N
rxn:1:54937:28139,Nc1ncc(-c2cn(CC3CC3c3ccsc3)nn2)c(N)n1,QMMRXPOBWSEJKH-UHFFFAOYSA-N
rxn:1:54992:31438,N#Cc1cnc(N)c(-c2cn(CC3CC3c3csc(Br)n3)nn2)c1,AOWYOVRUOGBNNX-UHFFFAOYSA-N
rxn:1:55948:24288,CC(C)COc1c(F)cc(-c2cn(CCI)nn2)cc1Br,ULGDEVSPAUPIHR-UHFFFAOYSA-N
rxn:1:57010:122,Nc1c(Cl)ncnc1-c1cn(CCCc2ccsc2Cl)nn1,FWEAHOXRSFYJPX-UHFFFAOYSA-N
rxn:1:57010:31611,COc1ncc(-c2cn(CCCc3ccsc3Cl)nn2)c(N)n1,MWDGHKAUXDCPEX-UHFFFAOYSA-N
rxn:1:58687:27778,Cc1nc(-c2cn(CCCCc3cscc3Br)nn2)nc(N)c1N,XEDXIBAYCDJRIP-UHFFFAOYSA-N
rxn:1:59879:2190,CNCC(C)c1cn(-c2c(C)cc(Cl)cc2Br)nn1,GIIGZFUTQFPKLT-UHFFFAOYSA-N
rxn:1:59985:28149,CC(C)(O)c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cn1,XUOPXZHDDLTHFL-ZYHUDNBSSA-N
rxn:1:65328:13461,Cc1cc(I)cnc1NC(=O)c1ccc(-c2cn(CCBr)nn2)cc1,STACUVPOWCQUMZ-UHFFFAOYSA-N
rxn:1:41907:8798,NCc1cccc(-c2cn(-c3ccc(I)cc3Cl)nn2)c1,XFRTVGQMKGAAGS-UHFFFAOYSA-N
rxn:1:42186:340,Nc1cc(Cl)ncc1C#CCn1cc(Cc2cccs2)nn1,DAHKBKAMRQUCND-UHFFFAOYSA-N
rxn:1:42749:31526,Ic1cc(I)cc(-c2cn(CC#Cc3ncnc4[nH]cnc34)nn2)c1,WAMHTVYSRCFOPA-UHFFFAOYSA-N
rxn:1:43719:28512,CC(C)(CN)c1cn(-c2ccc(Cl)c(I)c2)nn1,WUHPSLIAMSPAMZ-UHFFFAOYSA-N
rxn:1:47328:35342,Cc1cc(C(O)C(O)Cn2cc(-c3ccc(Cl)s3)nn2)cc(Cl)c1O,MGHOYLABRLNXPX-UHFFFAOYSA-N
rxn:1:47710:11733,OC(CCc1cn(-c2nccc3c(I)c[nH]c23)nn1)C(F)(F)F,BBCRDWDHBMBRIO-UHFFFAOYSA-N
rxn:1:47710:6011,FC(F)C1OCCC1c1cn(-c2nccc3c(I)c[nH]c23)nn1,AILMLUHODLSEEI-UHFFFAOYSA-N
rxn:1:47710:7253,CC(C)[C@@H](N)c1cn(-c2nccc3c(I)c[nH]c23)nn1,BRNDQWNUXHQPTD-LLVKDONJSA-N
rxn:1:49432:8718,Cc1cc(-c2cn(C3(CI)CCNC3)nn2)cnc1N,WOYOGUAMKIYRQH-UHFFFAOYSA-N
rxn:1:51586:2195,Cc1nc(-c2cn(CCC3CC3c3cscc3Br)nn2)c[nH]1,YGOGHPGMYPHIFV-UHFFFAOYSA-N
rxn:1:53562:1887,Brc1ccc(Cn2cc(-c3cncc4nccn34)nn2)c(I)c1,WYCZCGBFIQDTIW-UHFFFAOYSA-N
rxn:1:53562:2666,Cc1ncncc1-c1cn(Cc2ccc(Br)cc2I)nn1,FUIBRCUPYAROTE-UHFFFAOYSA-N
rxn:1:54962:28139,Nc1ncc(-c2cn(CC3CC3c3ccc(Br)s3)nn2)c(N)n1,MUKJWFWNQKLMAZ-UHFFFAOYSA-N
rxn:1:55461:28139,Nc1ncc(-c2cn(CC3CC3c3cc(Cl)ncc3Br)nn2)c(N)n1,XZHATKTXAAUSNP-UHFFFAOYSA-N
rxn:1:55948:27838,Cc1ccc2nc(-c3cn(CCI)nn3)ccc2c1C,YITSMIMMPWIIRE-UHFFFAOYSA-N
rxn:1:55948:7,CC(C)(C)Nc1ccc(-c2cn(CCI)nn2)nn1,CEGKCXWBDVVBTQ-UHFFFAOYSA-N
rxn:1:55958:2756,Cc1cc(Br)c(-c2cn(CC3CC3c3cccc4[nH]cnc34)nn2)s1,VRQZMAWLAUNSEJ-UHFFFAOYSA-N
rxn:1:58687:28754,C[C@H](N)c1cn(CCCCc2cscc2Br)nn1,JRRZJXJBDKYMFB-VIFPVBQESA-N
rxn:1:59847:31438,N#Cc1cnc(N)c(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)c1,CKRNKXCECQVKCV-TZMCWYRMSA-N
rxn:1:59985:18498,Cc1cn(C2CCSC2)nc1-c1cn([C@@H]2CC[C@H]2I)nn1,LODMHTIOGAOKTK-LIXJUXSLSA-N
rxn:1:61827:31935,NCc1cc(-c2cn(-c3ccc(I)c(Br)c3)nn2)ccc1Cl,FHZLHPFFJRCHGB-UHFFFAOYSA-N
rxn:1:62179:2180,CSCC(N)c1cn(-c2cncc(Br)c2)nn1,MDSJLONAAUIMRR-UHFFFAOYSA-N
rxn:1:62688:31251,CN1CC[C@@H](c2cn(-c3cc(I)cc(I)c3I)nn2)[C@]1(C)CO,GNHFDTMTWVMUFO-BONVTDFDSA-N
rxn:1:41495:31957,Cc1cc(Cl)ccc1-n1cc(-c2cnc(F)cc2N)nn1,QUFKOLCDLBGGEN-UHFFFAOYSA-N
rxn:1:42186:39921,Nc1cc(Cl)ncc1C#CCn1cc(-c2ccc(I)nn2)nn1,WTCCBXGQQOAYMJ-UHFFFAOYSA-N
rxn:1:43182:39921,CC1CC12COC(Cn1cc(-c3ccc(I)nn3)nn1)C2,UGBMCGXXHGPORR-UHFFFAOYSA-N
rxn:1:47710:3265,CNC(C)Cc1cn(-c2nccc3c(I)c[nH]c23)nn1,HNWUNYWTEXLQEV-UHFFFAOYSA-N
rxn:1:47710:4491,BrC1CCCC1Cc1cn(-c2nccc3c(I)c[nH]c23)nn1,VQNVXQHVFNMLTI-UHFFFAOYSA-N
rxn:1:47710:82,CC(F)(c1cn(-c2nccc3c(I)c[nH]c23)nn1)C1CCC1,LTWOKIXUEXSEHC-UHFFFAOYSA-N
rxn:1:47806:710,CCC(C)Cc1cn(-c2nccc3c(Br)c[nH]c23)nn1,KVFVVCYXYCYCEB-UHFFFAOYSA-N
rxn:1:52896:13922,CNc1ccc(-c2cn(Cc3ccc(C)s3)nn2)c(C)c1,ZPFUKEDRYSJXRS-UHFFFAOYSA-N
rxn:1:54960:32191,COc1cc(-c2cn(CC3CC3c3cscc3Br)nn2)ccc1C#N,ZMJWMOKGWWWBEA-UHFFFAOYSA-N
rxn:1:54963:37700,N[C@H]1C=C(c2cn(CC3CC3c3cc(Br)cs3)nn2)CC1,XYTJVBVULFBKTI-YXMLORGKSA-N
rxn:1:55322:7805,Nc1cc(C2CC2Cn2cc(-c3csc(CF)n3)nn2)cnc1Cl,DVSGINMQHFZRAI-UHFFFAOYSA-N
rxn:1:55948:18178,CCCc1cnn(-c2ccc(-c3cn(CCI)nn3)cc2)c1,GHZJDHDEZMHNHP-UHFFFAOYSA-N
rxn:1:55948:4598,Cc1cc(NC(=O)c2cn(CCI)nn2)ccc1Br,OLBAGGOEHKYXFF-UHFFFAOYSA-N
rxn:1:57008:31438,Cc1csc(CCCn2cc(-c3cc(C#N)cnc3N)nn2)c1,VTWHDAWMGYSURV-UHFFFAOYSA-N
rxn:1:57009:31285,Cc1cscc1CCCn1cc(-c2ccc(Cl)cc2N)nn1,SGNDIFWPSDZZLE-UHFFFAOYSA-N
rxn:1:58686:39029,Oc1ccc(-c2cn(CCCCc3ccsc3Cl)nn2)nc1,CNLUVZRHZGVOIN-UHFFFAOYSA-N
rxn:1:59460:31811,CC(N)c1ccc(-c2cn(CC(=O)c3ccsc3)nn2)cc1Cl,OLUWJTFXUFYAHN-UHFFFAOYSA-N
rxn:1:59985:2534,CCNc1cc(-c2cn([C@@H]3CC[C@H]3I)nn2)ccn1,SHOHROXRLLNKRG-ZYHUDNBSSA-N
rxn:1:61872:23538,C[Si](C)(C)Cn1cc(-c2oc3c(I)cncc3c2N)nn1,WMDDNZZKVVJRPQ-UHFFFAOYSA-N
rxn:1:62588:35074,Brc1ccc(-c2cn(C3CCCC3I)nn2)nc1,IJBSWTFPBNUFQY-UHFFFAOYSA-N
rxn:1:62688:11846,CCCNCc1cn(-c2cc(I)cc(I)c2I)nn1,MBVLSOYDGVCPEA-UHFFFAOYSA-N
rxn:1:41426:2912,NC1(c2ccc(-c3cn(-c4ccccc4I)nn3)cc2)CCC1,FIIVVEUFOOIKHZ-UHFFFAOYSA-N
rxn:1:41789:31054,Nc1ncnc2c1ncn2-c1cn(CC=Cc2ccc(Br)s2)nn1,SELULBQTABEXEN-UHFFFAOYSA-N
rxn:1:41847:31927,Nc1ncncc1-c1cn(CC=Cc2cscc2Br)nn1,AYKXFFODOWKSRB-UHFFFAOYSA-N
rxn:1:41865:31454,Nc1nc(Cl)ncc1-c1cn(CC=Cc2ccc(I)o2)nn1,HYCLSFKMEGHNCK-UHFFFAOYSA-N
rxn:1:41905:31937,Cc1cc(Cl)ncc1-c1cn(CC#Cc2cccs2)nn1,WNUHXTRWPHXNKF-UHFFFAOYSA-N
rxn:1:41972:20594,Nc1cc(Cl)ncc1-c1cn(CC#Cc2cnc(F)nc2)nn1,YVMGFXWEXZSSLA-UHFFFAOYSA-N
rxn:1:42036:20555,Nc1c(-c2cn(CC#Cc3csc(C=O)n3)nn2)cnc(Cl)c1I,ORPVUMIPTBJNKV-UHFFFAOYSA-N
rxn:1:42306:565,Fc1ncc(C#CCn2cc(-c3csc(Cl)c3)nn2)cc1Cl,DINRKWCUSWCGNA-UHFFFAOYSA-N
rxn:1:43683:39426,ClCOCc1cn(CC#Cc2cc(Cl)ncc2Br)nn1,JSGVZPPDSHJPQM-UHFFFAOYSA-N
rxn:1:43719:7282,CC(C)(C)[C@@H](N)c1cn(-c2ccc(Cl)c(I)c2)nn1,YUQUQOXPLAYIMC-LBPRGKRZSA-N
rxn:1:43794:28139,Cc1sccc1C#CCCn1cc(-c2cnc(N)nc2N)nn1,FXJHWHOGYSGYNB-UHFFFAOYSA-N
rxn:1:45334:31438,N#Cc1cnc(N)c(-c2cn(CCC=Cc3ccsc3)nn2)c1,PMJWZWVIFHZBAH-UHFFFAOYSA-N
rxn:1:52102:31699,CSc1c(Cl)ccc(Br)c1-c1cn(CC(C)(O)CBr)nn1,XTGDGYCIXKSHKL-UHFFFAOYSA-N
rxn:1:52906:14361,Cc1ccsc1Cn1cc(-c2cnc3cccnc3c2C)nn1,ZIPSDAXTGQRNEO-UHFFFAOYSA-N
rxn:1:54993:31438,N#Cc1cnc(N)c(-c2cn(CC3CC3c3nc(Br)cs3)nn2)c1,RYQNABRLPFOZGG-UHFFFAOYSA-N
rxn:1:56420:37717,Cc1n[nH]c2ncc(-c3cn(CCCSc4nccs4)nn3)cc12,DWEIUGBPVSUIAL-UHFFFAOYSA-N
rxn:1:56986:1394,OC1(c2cn(-c3cccc(CCCS)c3)nn2)CSC1,VEGQQHLYRSADFH-UHFFFAOYSA-N
rxn:1:57043:8666,Nc1ccc(-c2cn(CCCc3csc(Br)n3)nn2)cc1Br,UGSQEFAFIARBJV-UHFFFAOYSA-N
rxn:1:57408:20555,Nc1c(-c2cn(CCCc3ncc([N+](=O)[O-])s3)nn2)cnc(Cl)c1I,HDIFFTMEHODBML-UHFFFAOYSA-N
rxn:1:59915:16783,Cc1c(-c2cn(Cc3sc(Br)cc3Br)nn2)cnn1CC(F)F,WDSDVKYAXCNYJA-UHFFFAOYSA-N
rxn:1:59985:39014,I[C@@H]1CC[C@H]1n1cc(-c2cncc3cn[nH]c23)nn1,ALOJNWQRQNGQMH-MWLCHTKSSA-N
rxn:1:61506:32050,C[C@H](N)c1ccc(-c2cn(CCCC#CCBr)nn2)cc1O,ARSSKTXFGZYOPW-LBPRGKRZSA-N
rxn:1:61656:24238,C[C@@H](N)Cn1cc(-c2cc(Br)ccc2I)nn1,ACHBIWCPIHYKQJ-SSDOTTSWSA-N
rxn:1:64149:31957,Nc1cc(F)ncc1-c1cn(Cc2ccc(I)cc2)nn1,FJLQIOCILJLSFN-UHFFFAOYSA-N
rxn:3:58592:23158:110958,CCN1CCC(c2cn(CCCc3cccc4c(C(=O)N[C@@H]5C[C@@]56CCc5ccccc56)cccc34)nn2)C1,BUEKZZDAGICLPD-UBTNMHAHSA-N
rxn:1:41249:31195,ClC1(Cl)CC1CCn1cc(-c2ccc3c(c2)CNC3)nn1,IBJXQUNTFDEMEZ-UHFFFAOYSA-N
rxn:1:41711:39416,NC1CCCC(O)(c2cn(-c3ccc(I)cc3Br)nn2)C1,YTVWKJIGNJTJGA-UHFFFAOYSA-N
rxn:1:41718:11768,NC[C@H]1CC[C@@H](c2cn(-c3cc(Br)ccc3I)nn2)CC1,NBJVDRZWVJSXKT-PHIMTYICSA-N
rxn:1:41718:12277,O=Cc1cc(-c2cn(-c3cc(Br)ccc3I)nn2)c[nH]1,JFHFWEACFFHEGM-UHFFFAOYSA-N
rxn:1:41913:2955,Clc1ccc2c(-c3cn(CC#Cc4nccs4)nn3)c[nH]c2c1,AVDWONGPMPYZCW-UHFFFAOYSA-N
rxn:1:41976:20555,Cc1n[nH]c(C)c1C#CCn1cc(-c2cnc(Cl)c(I)c2N)nn1,MUYLBGDFKRBDOA-UHFFFAOYSA-N
rxn:1:43730:3699,Cc1c(N)cncc1-c1cn(-c2ccc(Br)cc2I)nn1,RJITWNPCZQYHBC-UHFFFAOYSA-N
rxn:1:47710:23898,NC1CC(Cc2cn(-c3nccc4c(I)c[nH]c34)nn2)C1,UYLJWEBPAZBOQA-UHFFFAOYSA-N
rxn:1:50513:31624,O=Cc1cc(Cl)cc(-c2cn(CCCCCI)nn2)c1,XAMXDISLMLQXIA-UHFFFAOYSA-N
rxn:1:53562:20594,Nc1cc(Cl)ncc1-c1cn(Cc2ccc(Br)cc2I)nn1,WWLAZDOCTLZYCE-UHFFFAOYSA-N
rxn:1:57012:31509,OCc1cncc(-c2cn(CCCc3ccc(Cl)s3)nn2)c1,IMYIXZGUHKXAED-UHFFFAOYSA-N
rxn:1:58744:1853,Nc1ncc(-c2cn(CCCCc3ncc(Cl)cn3)nn2)cc1Br,YSSCHDHFUVYXON-UHFFFAOYSA-N
rxn:1:59830:1853,Nc1ncc(-c2cn(Cc3ccc(Br)o3)nn2)cc1Br,AINYILWZKYSSQJ-UHFFFAOYSA-N
rxn:1:59847:413,Cc1cncc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)c1C,NGCCFVIPKPBLHO-GDBMZVCRSA-N
rxn:1:59985:7837,Nc1cc(Br)cc(F)c1-c1cn([C@@H]2CC[C@H]2I)nn1,XOJCTCLCTDBUKQ-LDYMZIIASA-N
rxn:1:61887:2756,Cc1cc(Br)c(-c2cn(C34CCC(N)(CC3)C4)nn2)s1,GEQOUJCYQSOINA-UHFFFAOYSA-N
rxn:1:62588:170,Cc1c(N)ccc(-c2cn(C3CCCC3I)nn2)c1C,PKAPWPGSNXFXPM-UHFFFAOYSA-N
rxn:1:62588:8627,COc1ccc(-c2cn(C3CCCC3I)nn2)c(C)n1,MZNGCYFPBSQDQX-UHFFFAOYSA-N
rxn:1:63670:23584,Nc1c(-c2cn(Cc3ccc(Br)s3)nn2)oc2ncc(Cl)cc12,XUDGVUQTBFVIKY-UHFFFAOYSA-N
rxn:3:45840:5970:109779,Cc1ccc(-c2cc(C)sc2NC(=O)c2cccc(C=CCCn3cc(-c4ccc(-c5cnn(C)c5)cc4)nn3)c2)cc1,HKPGTRXMTLNBOQ-UHFFFAOYSA-N
rxn:1:41711:7442,CC(CN)(CO)Cc1cn(-c2ccc(I)cc2Br)nn1,PACIHYGNGWWMSQ-UHFFFAOYSA-N
rxn:1:41718:1079,Cc1cnccc1-c1cn(-c2cc(Br)ccc2I)nn1,LFCONEFGYBSPEH-UHFFFAOYSA-N
rxn:1:41797:31438,N#Cc1cnc(N)c(-c2cn(CC=Cc3c(I)ccnc3F)nn2)c1,FYQCRYWCRZNQFA-UHFFFAOYSA-N
rxn:1:41918:2228,NC(c1cn(-c2ccc(Cl)cc2I)nn1)C1CCC1,ZDNMQCQKGKPQFX-UHFFFAOYSA-N
rxn:1:41921:39047,COc1ccc(-c2cn(CC#Cc3cscc3C)nn2)cc1N,OWXYEMVDDGPNLO-UHFFFAOYSA-N
rxn:1:42201:20555,Cc1cc(C#CCn2cc(-c3cnc(Cl)c(I)c3N)nn2)cnc1N,WHFVBMZCUOIPLY-UHFFFAOYSA-N
rxn:1:45334:31915,Nc1ncnc2[nH]nc(-c3cn(CCC=Cc4ccsc4)nn3)c12,DKDDGNNZCZNSHN-UHFFFAOYSA-N
rxn:1:47806:38940,Brc1c[nH]c2c(-n3cc(CC4CCCC4)nn3)nccc12,AUSBHZGSPPLUBC-UHFFFAOYSA-N
rxn:1:54457:24222,COc1cc(F)c(F)cc1C1C(CCn2cc(C3(O)CCC4(C)C5CCc6cc(O)ccc6C5CCC34)nn2)C1(F)F,UZDRIOPPMPGPHN-UHFFFAOYSA-N
rxn:1:54937:8718,Cc1cc(-c2cn(CC3CC3c3ccsc3)nn2)cnc1N,CAAOUSFGWMCKQM-UHFFFAOYSA-N
rxn:1:56986:1886,Cc1cc(N)nc(-c2cn(-c3cccc(CCCS)c3)nn2)c1,VFRNUSQPUWSIBV-UHFFFAOYSA-N
rxn:1:57009:3047,Cc1cscc1CCCn1cc(-c2ccc(O)c(Br)c2)nn1,CCBPBFMQIQEKCE-UHFFFAOYSA-N
rxn:1:57010:31957,Nc1cc(F)ncc1-c1cn(CCCc2ccsc2Cl)nn1,QNKUQFJTNWGEHG-UHFFFAOYSA-N
rxn:1:57971:122,Nc1c(Cl)ncnc1-c1cn(CCCc2ccc3ncsc3c2)nn1,OXVGJUBLWBAFEA-UHFFFAOYSA-N
rxn:1:58649:1394,OC1(c2cn(-c3cccc(CCCBr)c3)nn2)CSC1,ULYQOVQMRPDBOU-UHFFFAOYSA-N
rxn:1:59915:1954,CNc1ncc(-c2cn(Cc3sc(Br)cc3Br)nn2)cn1,BSSPLDTWYBYVDA-UHFFFAOYSA-N
rxn:1:61693:39921,CCCC(C)C(C)n1cc(-c2ccc(I)nn2)nn1,IOWZYBHHPRQZIZ-UHFFFAOYSA-N
rxn:1:61827:8787,NCCCc1cn(-c2ccc(I)c(Br)c2)nn1,PHAVOSYLCARCDP-UHFFFAOYSA-N
rxn:1:62390:23584,CCSC1CCC1n1cc(-c2oc3ncc(Cl)cc3c2N)nn1,KEBHCNVESCEJPY-UHFFFAOYSA-N
rxn:1:62588:23526,CCc1ccc2c(N)c(-c3cn(C4CCCC4I)nn3)oc2n1,BIBREVGYRDZONY-UHFFFAOYSA-N
rxn:1:62588:32727,CCCOc1ccc(-c2cn(C3CCCC3I)nn2)c(F)c1F,IZXDPFVYFXGXET-UHFFFAOYSA-N
rxn:1:40235:1148,Nc1nc(Cl)ncc1C=CCn1cc(-c2cc(Cl)cs2)nn1,IMUARYNRZWMNKB-UHFFFAOYSA-N
rxn:1:41495:38814,Cc1cc(Cl)ccc1-n1cc(-c2cncc(Br)c2N)nn1,NLKKPIGDRFCRML-UHFFFAOYSA-N
rxn:1:41564:31438,N#Cc1cnc(N)c(-c2cn(CC=Cc3cc(Cl)ncc3Br)nn2)c1,XIHGSAMXQOLYAD-UHFFFAOYSA-N
rxn:1:41613:31195,Brc1ccc(Br)c(-n2cc(-c3ccc4c(c3)CNC4)nn2)c1,VRKHBCAHDVUCIY-UHFFFAOYSA-N
rxn:1:41818:20555,Nc1c(-c2cn(CC=Cc3cc[nH]c3)nn2)cnc(Cl)c1I,HOVBKZALFAIZNH-UHFFFAOYSA-N
rxn:1:41868:4382,COc1cc(C=c2sc3nc4ccccc4n3c2=O)cc(I)c1OCc1cn(CC=Cc2ccc(C)o2)nn1,OMKMFTUGIGIBKO-UHFFFAOYSA-N
rxn:1:42154:31438,COCc1cc(C#CCn2cc(-c3cc(C#N)cnc3N)nn2)cs1,LFIKEXUYPQTPPS-UHFFFAOYSA-N
rxn:1:43683:39255,S=C=NCc1cn(CC#Cc2cc(Cl)ncc2Br)nn1,DGLWRWMQJKEWCS-UHFFFAOYSA-N
rxn:1:49433:38127,Nc1ncc(Br)cc1-c1cn(C2(CI)CNC2)nn1,WSINTWBWUNGSDX-UHFFFAOYSA-N
rxn:1:53562:380,OCc1n[nH]cc1-c1cn(Cc2ccc(Br)cc2I)nn1,UETNPPOQGCUSAE-UHFFFAOYSA-N
rxn:1:55320:7805,Nc1ncc(Br)cc1C1CC1Cn1cc(-c2csc(CF)n2)nn1,CJMPGAZEDPYQPH-UHFFFAOYSA-N
rxn:1:55948:12419,O=C(Nc1ccc(-c2cn(CCI)nn2)cc1)C1CC(F)(F)C1,RSRWNLTVPPCYJI-UHFFFAOYSA-N
rxn:1:55948:18723,Cc1cnc(-c2cn(CCI)nn2)cc1C1CC1,AOVGKXISRBFFCZ-UHFFFAOYSA-N
rxn:1:57166:20555,Nc1c(-c2cn(CCCc3csc(C=O)n3)nn2)cnc(Cl)c1I,ZJTIKALQCXBWKJ-UHFFFAOYSA-N
rxn:1:57429:2089,Cc1csc(-c2cn(CCCc3ccc(Cl)cc3N)nn2)c1,IIXMPMCPZGZXSR-UHFFFAOYSA-N
rxn:1:58689:28754,C[C@H](N)c1cn(CCCCc2ccc(Br)s2)nn1,ZFKNIEUNMMKKGX-VIFPVBQESA-N
rxn:1:59934:1060,NCCc1ccc(-n2cc(-c3cc(Br)cs3)nn2)cc1,LJMPPZGLPJEANF-UHFFFAOYSA-N
rxn:1:59985:27870,CC1(C)Cc2cc(-c3cn([C@@H]4CC[C@H]4I)nn3)ccc2C1=O,RKUGKRKKSODXJU-UKRRQHHQSA-N
rxn:1:60071:2140,Cc1cc(-n2cc(C(=O)C3(N)CC3)nn2)cc(C)c1I,ANNGROATHQILAA-UHFFFAOYSA-N
rxn:1:62688:24133,COC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CN(CC(F)F)C1,MKSGGBXMWNCSDP-UHFFFAOYSA-N
rxn:1:62688:28514,CNC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CCCC1,CTHRUIFGUSHDLE-UHFFFAOYSA-N
rxn:1:62688:31895,COc1cc(C)c(-c2cn(-c3cc(I)cc(I)c3I)nn2)cn1,YIYUVPIIFVYWEP-UHFFFAOYSA-N
rxn:1:41495:20594,Cc1cc(Cl)ccc1-n1cc(-c2cnc(Cl)cc2N)nn1,QIAMEFFUDUEKDD-UHFFFAOYSA-N
rxn:1:41865:31259,Oc1ccnc(-c2cn(CC=Cc3ccc(I)o3)nn2)c1,BLVGGKBDSUPUAR-UHFFFAOYSA-N
rxn:1:41937:20555,Cc1cnc(C#CCn2cc(-c3cnc(Cl)c(I)c3N)nn2)s1,JZKRPMMDLYXWOL-UHFFFAOYSA-N
rxn:1:42369:2955,Clc1ccc2c(-c3cn(CC4CCCN4)nn3)c[nH]c2c1,AIEKZUQOWIMLFH-UHFFFAOYSA-N
rxn:1:43730:2192,CCNC(C)Cc1cn(-c2ccc(Br)cc2I)nn1,NKTWCGOIVPJFRJ-UHFFFAOYSA-N
rxn:1:43762:23898,NC1CC(Cc2cn(-c3cccc(C#CCCl)c3)nn2)C1,UEPXPZCEUKWVFZ-UHFFFAOYSA-N
rxn:1:51722:2788,CC1(O)CCCC1n1cc(-c2cc(Br)cc(Br)c2O)nn1,UEBXYGUQMYGIMA-UHFFFAOYSA-N
rxn:1:52069:20555,Nc1c(-c2cn([C@H]3CC[C@H](N)CC3)nn2)cnc(Cl)c1I,DQZYQDYLOZYQIM-ZKCHVHJHSA-N
rxn:1:57013:37744,NCc1ccc(-c2cn(CCCc3ccc(Br)s3)nn2)s1,SHDSXNSNCSPMKI-UHFFFAOYSA-N
rxn:1:57044:3803,Cc1cc(-c2cn(CCCc3nc(Br)cs3)nn2)ccc1N,RIZUQDUABLHZRI-UHFFFAOYSA-N
rxn:1:58689:3819,C[C@@H](N)c1cn(CCCCc2ccc(Br)s2)nn1,ZFKNIEUNMMKKGX-SECBINFHSA-N
rxn:1:59847:31588,Cc1nc(C#N)ccc1-c1cn([C@@H]2CCCCC[C@H]2I)nn1,YMCCKWMMLHNEOG-GDBMZVCRSA-N
rxn:1:61827:13972,CNC1(c2cn(-c3ccc(I)c(Br)c3)nn2)CC1,PGYSFDFUHSAOAT-UHFFFAOYSA-N
rxn:1:61827:38413,CC(C)C(N)c1cn(-c2ccc(I)c(Br)c2)nn1,RNNBBYIPVARTOM-UHFFFAOYSA-N
rxn:1:65673:23539,Cc1sccc1C=CCn1cc(-c2oc3nccnc3c2N)nn1,IPAHIMVIDGUEJE-UHFFFAOYSA-N
rxn:1:65677:38748,COc1nc(-c2cn(CC=Cc3cscc3C)nn2)ncc1Cl,ZFNRNFNOGHTESH-UHFFFAOYSA-N
rxn:1:65760:31438,N#Cc1cnc(N)c(-c2cn(CC=Cc3cc(Cl)ccn3)nn2)c1,LMUCSFWILRSKMW-UHFFFAOYSA-N
rxn:1:40062:39921,Nc1cc(Cl)ncc1C=CCn1cc(-c2ccc(I)nn2)nn1,ALOIQUNBWIQEGB-UHFFFAOYSA-N
rxn:1:41745:38536,NC1(Cc2cn(-c3ccc(Cl)c(Br)c3)nn2)CCC1,GHTIZVWPIXKOSF-UHFFFAOYSA-N
rxn:1:42029:11739,Cc1ccc(-n2cc(C(C)CCN)nn2)cc1I,NTTLYQVCINBPFV-UHFFFAOYSA-N
rxn:1:42304:39292,CSCc1cn(CC#Cc2c(Cl)cncc2Cl)nn1,LWDLYJDAXORCER-UHFFFAOYSA-N
rxn:1:42321:20594,Nc1cc(Cl)ncc1-c1cn(CC#Cc2ccc([N+](=O)[O-])s2)nn1,GAGSOKUKMJTMJY-UHFFFAOYSA-N
rxn:1:43634:39011,Brc1ncccc1C#CCn1cc(-c2cnc3cn[nH]c3c2)nn1,HDCMTJUBMIRITR-UHFFFAOYSA-N
rxn:1:43730:11772,C[C@]1(c2cn(-c3ccc(Br)cc3I)nn2)CCCN1,JQNCKGSYIFWFGJ-CYBMUJFWSA-N
rxn:1:45083:31195,Brc1ccc2c(c1)CC(Cn1cc(-c3ccc4c(c3)CNC4)nn1)O2,TXAXXZLZWGBYPI-UHFFFAOYSA-N
rxn:1:49432:7697,Cc1csc2c(-c3cn(C4(CI)CCNC4)nn3)ncnc12,WUILMBXCIGNACG-UHFFFAOYSA-N
rxn:1:50513:31168,Cc1cnc(-c2cn(CCCCCI)nn2)cc1N,JUCVAWNSNUVGRE-UHFFFAOYSA-N
rxn:1:51722:23484,CC1(O)CCCC1n1cc(-c2sc3ncc(Br)cc3c2N)nn1,LIYGXGDTDCCKQV-UHFFFAOYSA-N
rxn:1:56986:23518,Nc1c(-c2cn(-c3cccc(CCCS)c3)nn2)oc2ncccc12,CTUDIQBRDPJWBW-UHFFFAOYSA-N
rxn:1:57010:32191,COc1cc(-c2cn(CCCc3ccsc3Cl)nn2)ccc1C#N,RLLAPZGOAXFJNF-UHFFFAOYSA-N
rxn:1:57013:39255,S=C=NCc1cn(CCCc2ccc(Br)s2)nn1,PTVWYYNNFCRMHE-UHFFFAOYSA-N
rxn:1:58975:1060,Nc1cc(Cl)ncc1CCCCn1cc(-c2cc(Br)cs2)nn1,NSUHAJMZFZSBQG-UHFFFAOYSA-N
rxn:1:59934:1057,NCCc1ccc(-n2cc(-c3ccc(SC(F)F)cc3)nn2)cc1,AKIYQSZIJUUKOQ-UHFFFAOYSA-N
rxn:1:59934:1148,NCCc1ccc(-n2cc(-c3cc(Cl)cs3)nn2)cc1,ZRIBMKFDMDFHQI-UHFFFAOYSA-N
rxn:1:59934:8557,NCCc1ccc(-n2cc(-c3csc(Br)c3)nn2)cc1,URQQSJWXOUYWKN-UHFFFAOYSA-N
rxn:1:59985:1346,CC(=O)c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1Cl,KMVYQRSUKHMIGQ-TZMCWYRMSA-N
rxn:1:59985:31641,CC(C)(CN)c1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1,WLKBPNNQCSRKKO-UKRRQHHQSA-N
rxn:1:61827:38152,CN(C)C1(c2cn(-c3ccc(I)c(Br)c3)nn2)CC1,OLUPKJSSODHULL-UHFFFAOYSA-N
rxn:1:62588:31986,Cc1cc(N)cc(C)c1-c1cn(C2CCCC2I)nn1,VYDDTUPYYKZAIO-UHFFFAOYSA-N
rxn:1:63670:28931,NCCCc1ccc(-c2cn(Cc3ccc(Br)s3)nn2)cc1,SDOZZTXPYKHURU-UHFFFAOYSA-N
rxn:1:41551:39921,Nc1ncc(Br)cc1C=CCn1cc(-c2ccc(I)nn2)nn1,AIZFUTXRTDJHFG-UHFFFAOYSA-N
rxn:1:41876:1429,Cc1sc(-c2cn(-c3cccc(C=CCN)c3)nn2)cc1Br,JMFTYEXJKITADU-UHFFFAOYSA-N
rxn:1:41886:1825,Cc1cc(N)ncc1-c1cn(-c2cccc(C=CCCl)c2)nn1,XVOMYUUJXBXNJI-UHFFFAOYSA-N
rxn:1:41917:39105,Cc1sccc1C#CCn1cc(-c2cnc3[nH]ccc3c2)nn1,OCQVDAJZTSETPO-UHFFFAOYSA-N
rxn:1:42029:12164,COC1(c2cn(-c3ccc(C)c(I)c3)nn2)CNC1,XFMXRUWBDFLWDN-UHFFFAOYSA-N
rxn:1:43671:341,Nc1ccnc(Cl)c1C#CCn1cc(Cc2ccsc2)nn1,LWGKBMQNCSCIML-UHFFFAOYSA-N
rxn:1:43753:357,Cc1ccc(-c2cn(-c3cccc(C#CCN)c3)nn2)s1,PYKUIGLQADPBKB-UHFFFAOYSA-N
rxn:1:47710:12005,ClCCCCCc1cn(-c2nccc3c(I)c[nH]c23)nn1,ZARFSUDTBVZZBH-UHFFFAOYSA-N
rxn:1:47710:4698,CC(O)(c1cn(-c2nccc3c(I)c[nH]c23)nn1)C1CC1,RFRSMVYYQIFBST-UHFFFAOYSA-N
rxn:1:47737:710,CCC(C)Cc1cn(-c2ncc(Cl)c3cc[nH]c23)nn1,SHHNODNMMVCAMK-UHFFFAOYSA-N
rxn:1:49432:31342,Nc1cc(F)c(C(F)(F)F)cc1-c1cn(C2(CI)CCNC2)nn1,VIWRSFXNQHBAOQ-UHFFFAOYSA-N
rxn:1:55948:205,ICCn1cc(-c2ccc(OCC3CCC3)nc2)nn1,WDFUUVALMAALED-UHFFFAOYSA-N
rxn:1:56986:1890,CSc1nccc(-c2cn(-c3cccc(CCCS)c3)nn2)n1,WKSOHDAPJZNTGX-UHFFFAOYSA-N
rxn:1:57010:39015,Clc1sccc1CCCn1cc(-c2cc3[nH]ncc3cn2)nn1,JNEFZSYNYAPHKU-UHFFFAOYSA-N
rxn:1:57011:20555,Nc1c(-c2cn(CCCc3cscc3Br)nn2)cnc(Cl)c1I,MSRFESSOMQVKCU-UHFFFAOYSA-N
rxn:1:57047:39278,CCC(N)c1cn(CCCc2cc(Br)c(Br)s2)nn1,JGQVYZVMKONKET-UHFFFAOYSA-N
rxn:1:57384:39089,Cc1cnc(N)c(CCCn2cc(-c3ccc(Br)s3)nn2)c1,DDQPSMJUXLNKSQ-UHFFFAOYSA-N
rxn:1:58720:7708,COc1cnc(-c2cn(CCCCc3cc(Br)c(Br)s3)nn2)nc1,WQIXMPADRXYQIR-UHFFFAOYSA-N
rxn:1:59934:6554,NCCc1ccc(-n2cc(CCCC(F)CBr)nn2)cc1,JYARLYQSDJTJSB-UHFFFAOYSA-N
rxn:1:61827:32152,Nc1cc(Cl)ccc1OCc1cn(-c2ccc(I)c(Br)c2)nn1,XZUJGJIIDQIFNK-UHFFFAOYSA-N
rxn:1:40473:39426,Cc1cc(N)c(F)cc1C=CCn1cc(COCCl)nn1,HGALQPQPEAUYQZ-UHFFFAOYSA-N
rxn:1:41904:31431,Oc1ccc2ncc(-c3cn(CC#Cc4ccsc4)nn3)cc2c1,PXKVZXKOMNXPTJ-UHFFFAOYSA-N
rxn:1:41904:39366,Nc1ccc(O)cc1-c1cn(CC#Cc2ccsc2)nn1,UMGUVKATABLTEG-UHFFFAOYSA-N
rxn:1:41918:31836,Cc1cc(C#N)ncc1-c1cn(-c2ccc(Cl)cc2I)nn1,ZWJIERFWJNPYFM-UHFFFAOYSA-N
rxn:1:45334:31219,Nc1cnc2[nH]c(-c3cn(CCC=Cc4ccsc4)nn3)cc2c1,CYIPOORGVYAPES-UHFFFAOYSA-N
rxn:1:49432:23538,Nc1c(-c2cn(C3(CI)CCNC3)nn2)oc2c(I)cncc12,YJWVCZJYBHKMNL-UHFFFAOYSA-N
rxn:1:49433:7773,Brc1cccc2[nH]cc(-c3cn(C4(CI)CNC4)nn3)c12,FZLRUHGXGOZJJM-UHFFFAOYSA-N
rxn:1:52141:1060,Nc1nc(Cl)ncc1C1CC1CCn1cc(-c2cc(Br)cs2)nn1,WUJYVHSGOSAJAJ-UHFFFAOYSA-N
rxn:1:53551:31372,CNCCc1ccc(-c2cn(-c3ccc(Br)cn3)nn2)cc1Cl,PCZGCXXRPVATIV-UHFFFAOYSA-N
rxn:1:54993:27779,Cc1nc(-c2cn(CC3CC3c3nc(Br)cs3)nn2)nc2[nH]cnc12,ASFRWECGWWJRBQ-UHFFFAOYSA-N
rxn:1:57019:39021,Brc1ccc(CCCn2cc(-c3cnc4[nH]ncc4c3)nn2)o1,XSXDPVALWJWEJC-UHFFFAOYSA-N
rxn:1:57047:39076,Brc1cc(CCCn2cc([C@H]3CCCN3)nn2)sc1Br,AXIGXRKZFLGOIZ-LLVKDONJSA-N
rxn:1:57047:7279,CC[C@H](N)c1cn(CCCc2cc(Br)c(Br)s2)nn1,JGQVYZVMKONKET-JTQLQIEISA-N
rxn:1:57363:38764,Cc1csc(-c2cn(CCCc3cc(Br)cnc3N)nn2)n1,STNFHPRQGFRYHV-UHFFFAOYSA-N
rxn:1:57385:1060,Cc1ncc(CCCn2cc(-c3cc(Br)cs3)nn2)cc1N,QCDXDUWAJYRVHO-UHFFFAOYSA-N
rxn:1:57866:7805,Nc1c(Br)cc(Br)cc1CCCn1cc(-c2csc(CF)n2)nn1,NJJWMLCEIHKZSM-UHFFFAOYSA-N
rxn:1:59985:31937,Cc1cc(Cl)ncc1-c1cn([C@@H]2CC[C@H]2I)nn1,HNGIPYFCIQDBNF-MWLCHTKSSA-N
rxn:1:62198:1060,CC(N)c1ccc(-n2cc(-c3cc(Br)cs3)nn2)cc1,DRGOYXYLRJQWHZ-UHFFFAOYSA-N
rxn:1:62588:32006,N#Cc1cc2ccnc(Cl)c2cc1-c1cn(C2CCCC2I)nn1,VGHJEMWWYYQPCU-UHFFFAOYSA-N
rxn:1:41904:39921,Ic1ccc(-c2cn(CC#Cc3ccsc3)nn2)nn1,JHRZWRSHIQNRTL-UHFFFAOYSA-N
rxn:1:42360:1429,Cc1sc(-c2cn(CC#Cc3cnc(Cl)nc3N)nn2)cc1Br,MFFSSYKMRXSSIK-UHFFFAOYSA-N
rxn:1:43666:39011,Fc1ccc(C#CCn2cc(-c3cnc4cn[nH]c4c3)nn2)cc1Br,OTPFCEOPJWLCBG-UHFFFAOYSA-N
rxn:1:43740:23539,Cc1cc(-n2cc(-c3oc4nccnc4c3N)nn2)ccc1Cl,HJNSNGDXFJBILK-UHFFFAOYSA-N
rxn:1:44436:39921,NCc1cc(F)ccc1C#CCCn1cc(-c2ccc(I)nn2)nn1,VXJASTVXWIFIDF-UHFFFAOYSA-N
rxn:1:45334:28139,Nc1ncc(-c2cn(CCC=Cc3ccsc3)nn2)c(N)n1,NEPPKYIZEGGJQJ-UHFFFAOYSA-N
rxn:1:47710:349,Oc1ccccc1Cc1cn(-c2nccc3c(I)c[nH]c23)nn1,BCEQELDDSISXIN-UHFFFAOYSA-N
rxn:1:49436:31526,NC12CC(n3cc(-c4cc(I)cc(I)c4)nn3)(C1)C2,OIYWTDJHDBIBQS-UHFFFAOYSA-N
rxn:1:54930:31957,Nc1cc(F)ncc1-c1cn(-c2cccc(C3CC3CS)c2)nn1,KFISDGLJEPEDBV-UHFFFAOYSA-N
rxn:1:57010:28139,Nc1ncc(-c2cn(CCCc3ccsc3Cl)nn2)c(N)n1,UKHCJKNZDKZEDK-UHFFFAOYSA-N
rxn:1:57011:31941,Nc1cc(Cl)c(F)cc1-c1cn(CCCc2cscc2Br)nn1,RGOSTUFAEPTYNV-UHFFFAOYSA-N
rxn:1:57013:27778,Cc1nc(-c2cn(CCCc3ccc(Br)s3)nn2)nc(N)c1N,UBTWJVNGJHBSGZ-UHFFFAOYSA-N
rxn:1:57014:32044,Cc1cc(-c2cn(CCCc3cc(Br)cs3)nn2)ccc1CN,AHMVPJPNZJSDGQ-UHFFFAOYSA-N
rxn:1:57047:31786,NC(CCO)c1cn(CCCc2cc(Br)c(Br)s2)nn1,RZMXYFUKPILXTG-UHFFFAOYSA-N
rxn:1:57047:39296,Cc1nn(C)c(N)c1-c1cn(CCCc2cc(Br)c(Br)s2)nn1,WVMFKBWRMSJUGD-UHFFFAOYSA-N
rxn:1:57514:2089,Cc1csc(-c2cn(CCCc3cc(Br)cnc3O)nn2)c1,YFNXOGJWWGZLLC-UHFFFAOYSA-N
rxn:1:59205:39921,Oc1cc(F)c(F)cc1CCCCn1cc(-c2ccc(I)nn2)nn1,JQBURNJBWXUFRM-UHFFFAOYSA-N
rxn:1:59934:2963,COc1ccc(-c2cn(-c3ccc(CCN)cc3)nn2)c(Br)c1,ADPKLQWYFKYMKZ-UHFFFAOYSA-N
rxn:1:62327:1881,CC(CBr)Cn1cc(-c2cnc3scnc3c2)nn1,DKXZVNAMXSZIAS-UHFFFAOYSA-N
rxn:1:62588:1985,COc1ccc(-c2cn(C3CCCC3I)nn2)cc1O,VKFHLBCAZPVNRR-UHFFFAOYSA-N
rxn:1:62588:23611,Cc1cc(Cl)c(-c2cn(C3CCCC3I)nn2)cn1,YCQVKXAERSSGFU-UHFFFAOYSA-N
rxn:1:62688:38537,NC1(Cc2cn(-c3cc(I)cc(I)c3I)nn2)CCOCC1,WWZHDLNQYJTIAT-UHFFFAOYSA-N
rxn:1:65677:39021,Cc1cscc1C=CCn1cc(-c2cnc3[nH]ncc3c2)nn1,MYGMAODIQIMLQL-UHFFFAOYSA-N
rxn:1:41495:578,Cc1cnc(-c2cn(-c3ccc(Cl)cc3C)nn2)c(N)c1,FQLBAMYDIORLRD-UHFFFAOYSA-N
rxn:1:41546:39011,Fc1ccc(C=CCn2cc(-c3cnc4cn[nH]c4c3)nn2)cc1Br,GJZDMNVDZBUKMM-UHFFFAOYSA-N
rxn:1:41662:12164,COC1(c2cn(-c3ccc(C)c(Br)c3)nn2)CNC1,NODDFFJSCWOHRT-UHFFFAOYSA-N
rxn:1:41711:39259,Brc1cc(I)ccc1-n1cc(CNCC2CC2)nn1,RQKHMXBRMJFDJZ-UHFFFAOYSA-N
rxn:1:41907:38536,NC1(Cc2cn(-c3ccc(I)cc3Cl)nn2)CCC1,ITAWASDALXPSBC-UHFFFAOYSA-N
rxn:1:41917:31195,Cc1sccc1C#CCn1cc(-c2ccc3c(c2)CNC3)nn1,HAYOUQGCBQWILL-UHFFFAOYSA-N
rxn:1:41976:39921,Cc1n[nH]c(C)c1C#CCn1cc(-c2ccc(I)nn2)nn1,NIYAXBODBZXLET-UHFFFAOYSA-N
rxn:1:42199:2983,Nc1cc(Cl)c(C#CCn2cc(Cc3ccc(Br)s3)nn2)cn1,ALHBAOKXOGVGHI-UHFFFAOYSA-N
rxn:1:42369:31526,Ic1cc(I)cc(-c2cn(CC3CCCN3)nn2)c1,USIQYSPLDILFHN-UHFFFAOYSA-N
rxn:1:43679:340,Fc1c(C#CCn2cc(Cc3cccs3)nn2)ccnc1Cl,GNZHTEAZUJJZBL-UHFFFAOYSA-N
rxn:1:45353:37717,Cc1n[nH]c2ncc(-c3cn(CCC=Cc4ccsc4Cl)nn3)cc12,JPRCDUPHCQXKHJ-UHFFFAOYSA-N
rxn:1:47710:39557,CCNC(C)c1cn(-c2nccc3c(I)c[nH]c23)nn1,NLYDOCHJMHLJKW-UHFFFAOYSA-N
rxn:1:47710:6563,NCC(F)CCc1cn(-c2nccc3c(I)c[nH]c23)nn1,XIIJUHUIABETIZ-UHFFFAOYSA-N
rxn:1:53562:24172,C[C@H]1CNC[C@@H]1c1cn(Cc2ccc(Br)cc2I)nn1,QYNDQOPPSIHHBU-CABZTGNLSA-N
rxn:1:55948:13518,Cc1ccc(Cl)cc1C(=O)Nc1ccc(-c2cn(CCI)nn2)cc1,LRVQDEWZYYZDPB-UHFFFAOYSA-N
rxn:1:57044:20555,Nc1c(-c2cn(CCCc3nc(Br)cs3)nn2)cnc(Cl)c1I,IOUMSDWLSVPFOK-UHFFFAOYSA-N
rxn:1:57047:2059,NC1(c2cn(CCCc3cc(Br)c(Br)s3)nn2)CCC1,UCTWMBVSHCEMCL-UHFFFAOYSA-N
rxn:1:59847:39921,Ic1ccc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)nn1,DQBCBIATUYGGRJ-BXKDBHETSA-N
rxn:1:62140:22914,FC(F)n1cc(-c2cncc(-n3nc(C4CNC4)c(Cl)c3Cl)c2)nn1,ZTASQAFIBFYBNH-UHFFFAOYSA-N
rxn:1:62322:1060,CNCCc1ccc(-n2cc(-c3cc(Br)cs3)nn2)cc1,HFLQFMLXTCNSAI-UHFFFAOYSA-N
rxn:1:65677:38195,Cc1cncc(-c2cn(CC=Cc3cscc3C)nn2)c1,VFESCUSFNKAPFZ-UHFFFAOYSA-N
rxn:1:41718:558,N[C@@H](CO)Cc1cn(-c2cc(Br)ccc2I)nn1,GXAWCPBSCARETB-MRVPVSSYSA-N
rxn:1:41904:31588,Cc1nc(C#N)ccc1-c1cn(CC#Cc2ccsc2)nn1,RIEITESROLHGPM-UHFFFAOYSA-N
rxn:1:42307:565,Fc1cc(C#CCn2cc(-c3csc(Cl)c3)nn2)cnc1Cl,DWJFJXMJMQFBLR-UHFFFAOYSA-N
rxn:1:42579:39550,N#Cc1cc(C#CCn2cc(-c3cc(Br)co3)nn2)cnc1O,UAFZWTWXIIDUEJ-UHFFFAOYSA-N
rxn:1:43719:38536,NC1(Cc2cn(-c3ccc(Cl)c(I)c3)nn2)CCC1,BUUCTAGMLSOXBJ-UHFFFAOYSA-N
rxn:1:45395:31438,N#Cc1cnc(N)c(-c2cn(CCC=Cc3cscc3C=O)nn2)c1,OPMKRZWWBHYAGB-UHFFFAOYSA-N
rxn:1:47806:4491,Brc1c[nH]c2c(-n3cc(CC4CCCC4Br)nn3)nccc12,ZQBCZWXUOHJRHW-UHFFFAOYSA-N
rxn:1:49432:23584,Nc1c(-c2cn(C3(CI)CCNC3)nn2)oc2ncc(Cl)cc12,DEBSATBCOLWLON-UHFFFAOYSA-N
rxn:1:49432:2686,Cc1cc(-c2cn(C3(CI)CCNC3)nn2)cnc1Cl,LWWJTXIGXQELGJ-UHFFFAOYSA-N
rxn:1:49432:875,Fc1ccc(Br)c(OCc2cn(C3(CI)CCNC3)nn2)c1,IXQJTPJGZWHEIY-UHFFFAOYSA-N
rxn:1:55672:2756,Cc1cc(Br)c(-c2cn(C3CCC(C)(C)NC3)nn2)s1,XCVVHCYAQQQVJU-UHFFFAOYSA-N
rxn:1:57011:123,Cc1nc(Cl)c(N)c(-c2cn(CCCc3cscc3Br)nn2)n1,CRIHCJKRGLZKJI-UHFFFAOYSA-N
rxn:1:57011:27898,Cn1cc(-c2cn(CCCc3cscc3Br)nn2)cc(N)c1=O,HVPLUGMGXMCBNR-UHFFFAOYSA-N
rxn:1:57047:2513,Cc1nn(C)c(-c2cn(CCCc3cc(Br)c(Br)s3)nn2)c1N,OHUAOFQGXBXCDE-UHFFFAOYSA-N
rxn:1:57047:39367,CNC(C)c1cn(CCCc2cc(Br)c(Br)s2)nn1,CMZZVHYGDBYHCL-UHFFFAOYSA-N
rxn:1:57939:1060,COc1nc(CCCn2cc(-c3cc(Br)cs3)nn2)cnc1N,BOXVMCRRIULHFP-UHFFFAOYSA-N
rxn:1:59934:477,NCCc1ccc(-n2cc(-c3ccc(OC(F)F)cc3)nn2)cc1,BDOFGXAGTIZLHO-UHFFFAOYSA-N
rxn:1:61518:31947,Oc1c(Cl)cc(-c2cn(CC3(F)CCCC3)nn2)cc1Cl,VIJODPSWIYFBNI-UHFFFAOYSA-N
rxn:1:62588:37736,Clc1ccnc2[nH]cc(-c3cn(C4CCCC4I)nn3)c12,QIMZHSFBPIXSAI-UHFFFAOYSA-N
rxn:1:62688:10961,Nc1ncnc2c1ncn2Cc1cn(-c2cc(I)cc(I)c2I)nn1,MRHFBDTZDUOONB-UHFFFAOYSA-N
rxn:1:62688:15215,O=c1cc(-c2cn(-c3cc(I)cc(I)c3I)nn2)n(C2CC2)[nH]1,WCHSTJTUAPIJJR-UHFFFAOYSA-N
rxn:1:65438:8803,C=CCCc1cn(Cc2ccc(I)c(Cl)c2)nn1,IVEHUNUZLYNPJQ-UHFFFAOYSA-N
rxn:1:65677:39923,Cc1cscc1C=CCn1cc(-c2ccc(N)nn2)nn1,YVCXLVFFPHOQAK-UHFFFAOYSA-N
rxn:1:40062:180,Nc1cc(Cl)ncc1C=CCn1cc(-c2ccc(C(F)(F)F)s2)nn1,XUIYCHTYPVINOK-UHFFFAOYSA-N
rxn:1:41419:1881,CCc1cccc(-n2cc(-c3cnc4scnc4c3)nn2)c1,DHWFMPQAOUDDDY-UHFFFAOYSA-N
rxn:1:41789:31930,Cc1cncc(-c2cn(CC=Cc3ccc(Br)s3)nn2)c1N,XFUZBEMBQLTHSV-UHFFFAOYSA-N
rxn:1:41904:662,Clc1ccnc(-c2cn(CC#Cc3ccsc3)nn2)c1,BOKHLSWYDOYCNT-UHFFFAOYSA-N
rxn:1:41923:38390,Nc1nccnc1-c1cn(CC#Cc2ccsc2Cl)nn1,MWXJZHGTNPVHFJ-UHFFFAOYSA-N
rxn:1:41977:1062,Nc1ccncc1C#CCn1cc(-c2ccc(Cl)c(Br)c2)nn1,DDSXNEGDHNUWKS-UHFFFAOYSA-N
rxn:1:42202:8557,N#Cc1cncc(C#CCn2cc(-c3csc(Br)c3)nn2)c1,LLEQHJBMSSRHJS-UHFFFAOYSA-N
rxn:1:42412:31376,CNCCc1ccc(-c2cn(CCCCBr)nn2)c(Cl)c1,CXGZGAQPSLHPAF-UHFFFAOYSA-N
rxn:1:42554:8557,Cc1cc(N)nc(C)c1C#CCn1cc(-c2csc(Br)c2)nn1,YYGMMHNOULTQTL-UHFFFAOYSA-N
rxn:1:43753:2983,NCC#Cc1cccc(-n2cc(Cc3ccc(Br)s3)nn2)c1,JJBJUEASZKBQSO-UHFFFAOYSA-N
rxn:1:43782:31227,NCc1ccc(-c2cn(CCC#Cc3cccs3)nn2)cc1Cl,OHEJBLQBHCRSIB-UHFFFAOYSA-N
rxn:1:49433:7770,Brc1ccc2[nH]cc(-c3cn(C4(CI)CNC4)nn3)c2c1,INJHJYCPOWEMBC-UHFFFAOYSA-N
rxn:1:54959:31054,Nc1ncnc2c1ncn2-c1cn(CC2CC2c2ccsc2Cl)nn1,JQIXQLGWQPZGLN-UHFFFAOYSA-N
rxn:1:54959:32044,Cc1cc(-c2cn(CC3CC3c3ccsc3Cl)nn2)ccc1CN,OPHOEFZSHOTWRU-UHFFFAOYSA-N
rxn:1:57011:11984,NCCc1ccc(-c2cn(CCCc3cscc3Br)nn2)cc1,MDNULNLSGWSQCV-UHFFFAOYSA-N
rxn:1:57012:31520,Nc1c(Cl)cncc1-c1cn(CCCc2ccc(Cl)s2)nn1,YYPCPXADDOUUOZ-UHFFFAOYSA-N
rxn:1:57013:2059,NC1(c2cn(CCCc3ccc(Br)s3)nn2)CCC1,FHUOXQYULWUMES-UHFFFAOYSA-N
rxn:1:57013:37864,NCc1cc(-c2cn(CCCc3ccc(Br)s3)nn2)ccc1F,FWFGFURCLDIQRV-UHFFFAOYSA-N
rxn:1:57047:31469,Cc1ncc(-c2cn(CCCc3cc(Br)c(Br)s3)nn2)cc1N,RQIULNVOHYVFLX-UHFFFAOYSA-N
rxn:1:57298:22090,Oc1ccc(O)c(CCCn2cc(-c3cc(C4CCCC4)nn3Cc3c(O)cccc3F)nn2)c1,BYKOQFZCEBKRAE-UHFFFAOYSA-N
rxn:1:58651:1394,OC1(c2cn(-c3cccc(CCCCl)c3)nn2)CSC1,KYIRGOHRJYSETO-UHFFFAOYSA-N
rxn:1:59847:24083,O=Cc1ccc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)cc1O,MJNCAPXLTOXPEE-UKRRQHHQSA-N
rxn:1:62588:1858,IC1CCCC1n1cc(-c2cnc3cccnc3c2)nn1,MLRMQXBPVJFUJS-UHFFFAOYSA-N
rxn:1:62588:2527,COC(=N)c1ccc(-c2cn(C3CCCC3I)nn2)cn1,FNRISPMAJWUJAL-UHFFFAOYSA-N
rxn:1:41711:2180,CSCC(N)c1cn(-c2ccc(I)cc2Br)nn1,ANMORFWDNMSQSG-UHFFFAOYSA-N
rxn:1:41876:31181,NCC=Cc1cccc(-n2cc(-c3ccc(F)cc3O)nn2)c1,WIGJSDFEZDJCBI-UHFFFAOYSA-N
rxn:1:41977:1421,Nc1ccncc1C#CCn1cc(-c2ccc(F)c(Br)c2)nn1,LLASTPQCUIQBBS-UHFFFAOYSA-N
rxn:1:43650:31520,Nc1c(Cl)cncc1-c1cn(CC#Cc2ccc(Br)cc2Cl)nn1,JDKZDINULNMYIZ-UHFFFAOYSA-N
rxn:1:43683:31438,N#Cc1cnc(N)c(-c2cn(CC#Cc3cc(Cl)ncc3Br)nn2)c1,ACSDHAWGGXXLRN-UHFFFAOYSA-N
rxn:1:43719:10890,Nc1cc(Br)cnc1OCc1cn(-c2ccc(Cl)c(I)c2)nn1,ZZXAXKVTJQKYIB-UHFFFAOYSA-N
rxn:1:43719:38958,CCC1(c2cn(-c3ccc(Cl)c(I)c3)nn2)COC1,DHRMZCBIHDNGFZ-UHFFFAOYSA-N
rxn:1:43730:23834,N[C@@H]1CC[C@@H]1c1cn(-c2ccc(Br)cc2I)nn1,FSZSYXRGCFVZLA-WCBMZHEXSA-N
rxn:1:54962:37717,Cc1n[nH]c2ncc(-c3cn(CC4CC4c4ccc(Br)s4)nn3)cc12,CDKXRUKKKHXVOK-UHFFFAOYSA-N
rxn:1:57047:0,CC(C)(N)c1cn(CCCc2cc(Br)c(Br)s2)nn1,NWCVOJCHQFIYHY-UHFFFAOYSA-N
rxn:1:57767:1060,N#Cc1ccc(N)c(CCCn2cc(-c3cc(Br)cs3)nn2)c1,QEUICLUOVADXBK-UHFFFAOYSA-N
rxn:1:57939:1148,COc1nc(CCCn2cc(-c3cc(Cl)cs3)nn2)cnc1N,KXAVTIBGBIDIHB-UHFFFAOYSA-N
rxn:1:58687:28370,Cn1nc(-c2cn(CCCCc3cscc3Br)nn2)cc1N,FKVXJHDUNYCKHA-UHFFFAOYSA-N
rxn:1:58688:31197,Oc1cnc(-c2cn(CCCCc3ccc(Cl)s3)nn2)nc1,PVZFSDDIMCHPMM-UHFFFAOYSA-N
rxn:1:59830:7776,Clc1cccc2c(-c3cn(Cc4ccc(Br)o4)nn3)c[nH]c12,QEASSWHOIGEBDU-UHFFFAOYSA-N
rxn:1:59879:31957,Cc1cc(Cl)cc(Br)c1-n1cc(-c2cnc(F)cc2N)nn1,YDYLLVQVLCINJF-UHFFFAOYSA-N
rxn:1:59934:4564,NCCc1ccc(-n2cc(COc3ccc(Cl)cc3Br)nn2)cc1,SQCUYHHZBTWVRK-UHFFFAOYSA-N
rxn:1:59985:195,CCCOc1ccc(-c2cn([C@@H]3CC[C@H]3I)nn2)cn1,SKVDZENZZMDRMI-DGCLKSJQSA-N
rxn:1:61506:31518,Cc1ncc(O)cc1-c1cn(CCCC#CCBr)nn1,HLJJVJUNJQIJRH-UHFFFAOYSA-N
rxn:1:61827:28754,C[C@H](N)c1cn(-c2ccc(I)c(Br)c2)nn1,WTNWHSSXYOQFFC-LURJTMIESA-N
rxn:1:62588:38477,COc1ncc(-c2cn(C3CCCC3I)nn2)cc1C,PXTIERRGXJIQNU-UHFFFAOYSA-N
rxn:1:41723:31425,Cc1cc(N)c(-c2cn(-c3ccc(F)cc3I)nn2)cn1,FVLFKICHYAVYRW-UHFFFAOYSA-N
rxn:1:41777:31957,Nc1cc(F)ncc1-c1cn(CC=Cc2csc(Br)n2)nn1,NNJCKMZCCIGZEN-UHFFFAOYSA-N
rxn:1:41917:38363,Cc1sccc1C#CCn1cc(-c2ccc(C#N)nc2)nn1,FKWZIBIBLMQAMI-UHFFFAOYSA-N
rxn:1:41923:430,Clc1sccc1C#CCn1cc(-c2ncnc3cnccc23)nn1,XBHGVKBETXMIIK-UHFFFAOYSA-N
rxn:1:43671:39921,Nc1ccnc(Cl)c1C#CCn1cc(-c2ccc(I)nn2)nn1,UHTACJZBLPHJLS-UHFFFAOYSA-N
rxn:1:49433:3000,Cc1cc(-c2cn(C3(CI)CNC3)nn2)cc(C)c1Br,WDMXWOICEOZPCO-UHFFFAOYSA-N
rxn:1:51586:1997,Brc1ncc(-c2cn(CCC3CC3c3cscc3Br)nn2)cn1,CAZWDVUHROMUIR-UHFFFAOYSA-N
rxn:1:54992:38682,Brc1nc(C2CC2Cn2cc(-c3cnc4nc[nH]c4c3)nn2)cs1,ULCFFQZMROHLRR-UHFFFAOYSA-N
rxn:1:57011:2513,Cc1nn(C)c(-c2cn(CCCc3cscc3Br)nn2)c1N,HZXNWGDWWHAFHB-UHFFFAOYSA-N
rxn:1:57012:39278,CCC(N)c1cn(CCCc2ccc(Cl)s2)nn1,SXULYKKMQPNLNL-UHFFFAOYSA-N
rxn:1:57014:37700,N[C@H]1C=C(c2cn(CCCc3cc(Br)cs3)nn2)CC1,DCHLZLDGTAGFCA-GFCCVEGCSA-N
rxn:1:57270:3819,C[C@@H](N)c1cn(CCCc2cc(Br)ccc2Br)nn1,YKBZCGWCSXUIKF-SECBINFHSA-N
rxn:1:57363:37892,COc1csc(-c2cn(CCCc3cc(Br)cnc3N)nn2)c1,AOCXXCDDRLQMPX-UHFFFAOYSA-N
rxn:1:59856:4564,C[C@@H]1CNC[C@H]1n1cc(COc2ccc(Cl)cc2Br)nn1,YASGQFOFTSPOSA-NOZJJQNGSA-N
rxn:1:59879:31895,COc1cc(C)c(-c2cn(-c3c(C)cc(Cl)cc3Br)nn2)cn1,SZZZRTOLYAMNIE-UHFFFAOYSA-N
rxn:1:59985:4586,Fc1ccc(OCc2cn([C@@H]3CC[C@H]3I)nn2)c(Br)c1,DTWWGGHTIZSTOK-VXGBXAGGSA-N
rxn:1:60063:2963,COc1ccc(-c2cn(-c3cccc(CCN)c3)nn2)c(Br)c1,GRVQFJBRXWYVLO-UHFFFAOYSA-N
rxn:1:61827:32177,O[C@@H]1CNC[C@H]1c1cn(-c2ccc(I)c(Br)c2)nn1,ORRCEXCDTWBHPH-QPUJVOFHSA-N
rxn:1:61827:39259,Brc1cc(-n2cc(CNCC3CC3)nn2)ccc1I,DTXISYJXGKHNKY-UHFFFAOYSA-N
rxn:1:62327:23519,Cc1ccc2c(N)c(-c3cn(CC(C)CBr)nn3)oc2n1,OLMJZYDRYFBMCV-UHFFFAOYSA-N
rxn:1:65661:39297,Cc1noc(N)c1-c1cn(CC=Cc2ccsc2)nn1,GFZLMXTZNVCODA-UHFFFAOYSA-N
rxn:1:40421:20555,Nc1c(-c2cn(CC3CCCC3(F)F)nn2)cnc(Cl)c1I,ILFMEWJFPYUBIA-UHFFFAOYSA-N
rxn:1:40717:2756,Cc1cc(Br)c(-c2cn(CC=Cc3n[nH]c4ncnc(N)c34)nn2)s1,DQSJOMOHXFIOOI-UHFFFAOYSA-N
rxn:1:41904:37803,Fc1nccc(-c2cn(CC#Cc3ccsc3)nn2)c1Cl,IGZOHZJPWSEFIH-UHFFFAOYSA-N
rxn:1:41919:122,Cc1ccc(C#CCn2cc(-c3ncnc(Cl)c3N)nn2)s1,UQGOZJDQTMSJDV-UHFFFAOYSA-N
rxn:1:41923:39022,Clc1sccc1C#CCn1cc(-c2ccnc3[nH]ncc23)nn1,OTYXPWPNOADYFJ-UHFFFAOYSA-N
rxn:1:41924:1858,Clc1ccc(C#CCn2cc(-c3cnc4cccnc4c3)nn2)s1,QLVPJLBMAZSRFP-UHFFFAOYSA-N
rxn:1:42846:8557,Clc1ncnc2c(C#CCn3cc(-c4csc(Br)c4)nn3)c[nH]c12,XVLKJNSXIADVSS-UHFFFAOYSA-N
rxn:1:43719:2025,CN1CCC(c2cn(-c3ccc(Cl)c(I)c3)nn2)C1,AALUNZLEHJFJGL-UHFFFAOYSA-N
rxn:1:43730:7442,CC(CN)(CO)Cc1cn(-c2ccc(Br)cc2I)nn1,CKMZTNOIWNPVJA-UHFFFAOYSA-N
rxn:1:43782:3803,Cc1cc(-c2cn(CCC#Cc3cccs3)nn2)ccc1N,DLABGVADPIVJNS-UHFFFAOYSA-N
rxn:1:45670:8557,Nc1ncc(C=CCCn2cc(-c3csc(Br)c3)nn2)cc1O,KBZBSLYCVXLADS-UHFFFAOYSA-N
rxn:1:45736:39921,Fc1cc(Cl)cnc1C=CCCn1cc(-c2ccc(I)nn2)nn1,AIZVMMVWWMZRBD-UHFFFAOYSA-N
rxn:1:47710:31108,CC(O)C1(c2cn(-c3nccc4c(I)c[nH]c34)nn2)CC1,UHGRGIOLDCJVQY-UHFFFAOYSA-N
rxn:1:47747:710,CCC(C)Cc1cn(-c2ncc(Br)c3cc[nH]c23)nn1,CYFJFQNYIBKBQI-UHFFFAOYSA-N
rxn:1:49433:37827,Cc1cc(Cl)cc(C)c1-c1cn(C2(CI)CNC2)nn1,DOQHWWDJWJCZFF-UHFFFAOYSA-N
rxn:1:54996:39278,CCC(N)c1cn(CC2CC2c2cc(Br)c(Br)s2)nn1,MPXFLZALXRKNGV-UHFFFAOYSA-N
rxn:1:55948:207,CC1CCC1COc1ccc(-c2cn(CCI)nn2)cn1,BUPGNTLGJZQYOF-UHFFFAOYSA-N
rxn:1:57047:10808,CCNCc1cn(CCCc2cc(Br)c(Br)s2)nn1,YDWUPXXRJLKEFN-UHFFFAOYSA-N
rxn:1:57047:11984,NCCc1ccc(-c2cn(CCCc3cc(Br)c(Br)s3)nn2)cc1,YHSRGVXJQPRYIM-UHFFFAOYSA-N
rxn:1:59853:2788,C[C@@H]1CNC[C@@H]1n1cc(-c2cc(Br)cc(Br)c2O)nn1,UTCPQPRFBRRKGS-KRTXAFLBSA-N
rxn:1:59871:2912,NC1(c2ccc(-c3cn(-c4c(F)cc(I)cc4F)nn3)cc2)CCC1,CGWBRVBVUAGZDG-UHFFFAOYSA-N
rxn:1:59934:1067,CCc1ccc(-c2cn(-c3ccc(CCN)cc3)nn2)s1,ADCWOEPTPKTCSK-UHFFFAOYSA-N
rxn:1:59934:2765,COc1cccc(-c2cn(-c3ccc(CCN)cc3)nn2)c1Br,CRCJVIZYRGZJCT-UHFFFAOYSA-N
rxn:1:60071:6381,Cc1cc(-n2cc(-c3cc(C4CC4)ncn3)nn2)cc(C)c1I,IUAJNRSOJBTKJR-UHFFFAOYSA-N
rxn:1:61827:23281,C[C@@H](N)Cc1cn(-c2ccc(I)c(Br)c2)nn1,NQFSFOWGSSOOGR-SSDOTTSWSA-N
rxn:1:61827:7442,CC(CN)(CO)Cc1cn(-c2ccc(I)c(Br)c2)nn1,VQUDOJCKFOITIK-UHFFFAOYSA-N
rxn:1:62688:32050,C[C@H](N)c1ccc(-c2cn(-c3cc(I)cc(I)c3I)nn2)cc1O,GEHFQOLOQFHNCI-QMMMGPOBSA-N
rxn:1:41886:27889,Oc1cc(-c2cn(-c3cccc(C=CCCl)c3)nn2)ncc1Cl,YKPTWQBAPORKCA-UHFFFAOYSA-N
rxn:1:41919:20594,Cc1ccc(C#CCn2cc(-c3cnc(Cl)cc3N)nn2)s1,GYCRQASHKLAEHE-UHFFFAOYSA-N
rxn:1:41921:1997,Cc1cscc1C#CCn1cc(-c2cnc(Br)nc2)nn1,YCBAPCKFUARBBK-UHFFFAOYSA-N
rxn:1:41923:31500,C[C@@H](N)c1ccc(-c2cn(CC#Cc3ccsc3Cl)nn2)cc1Cl,GXIPQKVKZOAGSX-LLVKDONJSA-N
rxn:1:41924:3796,O=c1[nH]cc(-c2cn(CC#Cc3ccc(Cl)s3)nn2)cc1Cl,SOXDNFIEVDDPDS-UHFFFAOYSA-N
rxn:1:42230:2983,N#Cc1cc(C#CCn2cc(Cc3ccc(Br)s3)nn2)ccn1,NRLOFEIZYWQODN-UHFFFAOYSA-N
rxn:1:49481:39921,CC(C)(C(F)F)C(C)(C)n1cc(-c2ccc(I)nn2)nn1,HQFYUFRJZZJHMZ-UHFFFAOYSA-N
rxn:1:57270:39052,C[C@H](N)c1cn(CCCc2cc(Br)ccc2Br)nn1,YKBZCGWCSXUIKF-VIFPVBQESA-N
rxn:1:57816:1060,NCc1ccc(F)c(CCCn2cc(-c3cc(Br)cs3)nn2)c1,QUISMGXZNIJWTR-UHFFFAOYSA-N
rxn:1:59126:1060,Nc1nc(Cl)ncc1CCCCn1cc(-c2cc(Br)cs2)nn1,FDNQLPCKICULGE-UHFFFAOYSA-N
rxn:1:59207:39921,Oc1c(Cl)cc(F)cc1CCCCn1cc(-c2ccc(I)nn2)nn1,JKERRKAGJQTAQT-UHFFFAOYSA-N
rxn:1:59985:582,Cc1cc2[nH]ccc2nc1-c1cn([C@@H]2CC[C@H]2I)nn1,ZPAIFYYMUQQXIK-NOZJJQNGSA-N
rxn:1:61342:1060,C=CCN1CC(n2cc(-c3cc(Br)cs3)nn2)C1,VFUYYZKNQOXQOW-UHFFFAOYSA-N
rxn:1:61827:28401,COC(CN)c1cn(-c2ccc(I)c(Br)c2)nn1,KJLSWVGLLIKEFL-UHFFFAOYSA-N
rxn:1:62179:7770,Brc1cncc(-n2cc(-c3c[nH]c4ccc(Br)cc34)nn2)c1,FASYNPHHKAFWOC-UHFFFAOYSA-N
rxn:1:62198:2963,COc1ccc(-c2cn(-c3ccc(C(C)N)cc3)nn2)c(Br)c1,BIURBKIDLUBTPE-UHFFFAOYSA-N
rxn:1:62588:13924,CCCOc1ccc(-c2cn(C3CCCC3I)nn2)cc1Br,QNWFRPHYRKIQIN-UHFFFAOYSA-N
rxn:1:62588:17736,CCCc1cc(-c2cn(C3CCCC3I)nn2)[nH]n1,ZMTGVDIQQRAFKM-UHFFFAOYSA-N
rxn:1:62688:31743,COC[C@@H](N)c1ccc(-c2cn(-c3cc(I)cc(I)c3I)nn2)cc1,VYVJZCXZGSXRSQ-CQSZACIVSA-N
rxn:1:62688:39293,OCc1ccc(-c2cn(-c3cc(I)cc(I)c3I)nn2)cn1,BYKSFLOVYMDHPZ-UHFFFAOYSA-N
rxn:1:64791:31372,CNCCc1ccc(-c2cn(-c3cc(Br)ccc3O)nn2)cc1Cl,ZNXARMOXVNFESC-UHFFFAOYSA-N
rxn:1:65675:23539,Cc1ccc(C=CCn2cc(-c3oc4nccnc4c3N)nn2)s1,COQHDOZAXZNNEM-UHFFFAOYSA-N
rxn:1:65677:23584,Cc1cscc1C=CCn1cc(-c2oc3ncc(Cl)cc3c2N)nn1,OVSBFVNQYQYBBI-UHFFFAOYSA-N
rxn:1:40108:2983,Cc1cc(N)ncc1C=CCn1cc(Cc2ccc(Br)s2)nn1,LYTBPGTUZNEMPW-UHFFFAOYSA-N
rxn:1:40851:2983,N#CSc1ccc(N)c(C=CCn2cc(Cc3ccc(Br)s3)nn2)c1,VQMSHFJGPGHNAH-UHFFFAOYSA-N
rxn:1:41029:39921,Ic1ccc(-c2cn(CC34CCCCC3C4)nn2)nn1,GUNYHYHESORLQV-UHFFFAOYSA-N
rxn:1:41085:7772,Brc1ccc2c(-c3cn(C4CCCNC4)nn3)c[nH]c2c1,GWEHDUPWIGYPIH-UHFFFAOYSA-N
rxn:1:41711:28143,CN(C)[C@H]1CC[C@@H](c2cn(-c3ccc(I)cc3Br)nn2)CC1,HZPJPXCGLKJVIJ-BJHJDKERSA-N
rxn:1:41711:38608,Nc1ccc(-c2cn(-c3ccc(I)cc3Br)nn2)cn1,PYVKSAVNBBNTLY-UHFFFAOYSA-N
rxn:1:41904:2682,Clc1cc(Cl)c(-c2cn(CC#Cc3ccsc3)nn2)cn1,FHPKEOSDFDHXQF-UHFFFAOYSA-N
rxn:1:42311:38682,Clc1cnc(Cl)c(C#CCn2cc(-c3cnc4nc[nH]c4c3)nn2)c1,QSLNVLIESQCFPY-UHFFFAOYSA-N
rxn:1:42553:2983,N#Cc1ccc(N)c(C#CCn2cc(Cc3ccc(Br)s3)nn2)c1,KRMARMZDMJBWLL-UHFFFAOYSA-N
rxn:1:43719:2058,NC1(c2cn(-c3ccc(Cl)c(I)c3)nn2)CCOC1,TZWWQNVKWWANHH-UHFFFAOYSA-N
rxn:1:49433:28746,FC1(F)C(CS)C1c1cccc(-c2cn(C3(CI)CNC3)nn2)c1,YLGADPLBTCZMGS-UHFFFAOYSA-N
rxn:1:51617:31454,Nc1nc(Cl)ncc1-c1cn(CCC2CC2c2csc(Br)n2)nn1,RLKRQKGZEGCKKF-UHFFFAOYSA-N
rxn:1:53562:1956,O=CCOCc1cn(Cc2ccc(Br)cc2I)nn1,UNJGGGWZHJHOCQ-UHFFFAOYSA-N
rxn:1:54937:1731,Nc1nnc(Cl)cc1-c1cn(CC2CC2c2ccsc2)nn1,HQLXUUDUXMSVBC-UHFFFAOYSA-N
rxn:1:55320:357,Cc1ccc(-c2cn(CC3CC3c3cc(Br)cnc3N)nn2)s1,FFCOFGQUBXWFMD-UHFFFAOYSA-N
rxn:1:55938:1060,COc1nc(C2CC2Cn2cc(-c3cc(Br)cs3)nn2)cnc1N,IHCCNLREOPFTJR-UHFFFAOYSA-N
rxn:1:57004:31580,Cc1sccc1CCCn1cc(-c2c(N)ncc(C#N)c2Cl)nn1,JUIGXHGHCDSGBZ-UHFFFAOYSA-N
rxn:1:57132:20555,Nc1c(-c2cn(CCCc3ccc(F)cn3)nn2)cnc(Cl)c1I,GGIGSAXWTKCDJC-UHFFFAOYSA-N
rxn:1:57549:2089,Cc1csc(-c2cn(CCCc3cc(Cl)nnc3N)nn2)c1,VYGUTVMEFSPNIJ-UHFFFAOYSA-N
rxn:1:59714:3947,CSc1cccc(-n2cc(-c3c(C)nc(Cl)nc3N)nn2)c1,OXEVOPJCBALPQE-UHFFFAOYSA-N
rxn:1:59847:23520,Cc1ccnc2oc(-c3cn([C@@H]4CCCCC[C@H]4I)nn3)c(N)c12,AOWXPZGXDDOPTQ-DGCLKSJQSA-N
rxn:1:59915:2955,Clc1ccc2c(-c3cn(Cc4sc(Br)cc4Br)nn3)c[nH]c2c1,ZLHJUNBSDWVOKT-UHFFFAOYSA-N
rxn:1:59985:6162,CC(C)(O)c1cc(-c2cn([C@@H]3CC[C@H]3I)nn2)ccn1,CIOYONIJILALEO-ZYHUDNBSSA-N
rxn:1:61827:2180,CSCC(N)c1cn(-c2ccc(I)c(Br)c2)nn1,CBYMZFRPNCRGCC-UHFFFAOYSA-N
rxn:1:62588:2051,C[C@H](N)c1ccc(-c2cn(C3CCCC3I)nn2)cc1,KYTWEAQJEUFYKM-KKJMOOEGSA-N
rxn:1:62688:27898,Cn1cc(-c2cn(-c3cc(I)cc(I)c3I)nn2)cc(N)c1=O,XHPAQVWGOZEEEO-UHFFFAOYSA-N
rxn:1:65675:31930,Cc1ccc(C=CCn2cc(-c3cncc(C)c3N)nn2)s1,FYLOSELJXGVXEZ-UHFFFAOYSA-N
rxn:1:40429:5405,COc1ccccc1C1=NCCc2c1ccn2Cc1cn(CC=Cc2c(C)cc(N)nc2C)nn1,PRVPCLMUFTXHOA-UHFFFAOYSA-N
rxn:1:41711:31054,Nc1ncnc2c1ncn2-c1cn(-c2ccc(I)cc2Br)nn1,GIUCDYBKQPOVTI-UHFFFAOYSA-N
rxn:1:41785:31279,Cc1cc(C=CCn2cc(-c3cnc(Cl)c(F)c3N)nn2)sc1Br,AIUNMLGJUIAPAO-UHFFFAOYSA-N
rxn:1:41865:20594,Nc1cc(Cl)ncc1-c1cn(CC=Cc2ccc(I)o2)nn1,LTJWMKIMXFENBW-UHFFFAOYSA-N
rxn:1:41876:2456,NCC=Cc1cccc(-n2cc(C(=O)OCCBr)nn2)c1,HXARDOWNECYYAQ-UHFFFAOYSA-N
rxn:1:41904:28185,COc1ncc(-c2cn(CC#Cc3ccsc3)nn2)nc1OC,VJCAWIKCJFFJIH-UHFFFAOYSA-N
rxn:1:41921:31438,Cc1cscc1C#CCn1cc(-c2cc(C#N)cnc2N)nn1,XGLJHSAEPIBWJO-UHFFFAOYSA-N
rxn:1:41923:31185,Fc1nccc(-c2cn(CC#Cc3ccsc3Cl)nn2)c1F,FJCDWYPYIWQHPO-UHFFFAOYSA-N
rxn:1:42200:1429,Cc1sc(-c2cn(CC#Cc3cc(N)cnc3Cl)nn2)cc1Br,PCXJAIKRKQNEKO-UHFFFAOYSA-N
rxn:1:42307:1148,Fc1cc(C#CCn2cc(-c3cc(Cl)cs3)nn2)cnc1Cl,CYMDTPVFLRBYDH-UHFFFAOYSA-N
rxn:1:42315:340,Clc1ccnc(Cl)c1C#CCn1cc(Cc2cccs2)nn1,FVQGNEOCBYPYCD-UHFFFAOYSA-N
rxn:1:47710:37863,COc1c(F)ccc(F)c1-c1cn(-c2nccc3c(I)c[nH]c23)nn1,MNQKBACPVFEJIV-UHFFFAOYSA-N
rxn:1:49065:3947,Cc1nc(Cl)nc(N)c1-c1cn(CC(=O)c2ccc(Cl)s2)nn1,FBGOXXIUWYABMW-UHFFFAOYSA-N
rxn:1:49433:6422,ICC1(n2cc(-c3ccc(-c4cccs4)s3)nn2)CNC1,LUDSFKULXGPKOF-UHFFFAOYSA-N
rxn:1:51384:39921,CCC(C)C(C)n1cc(-c2ccc(I)nn2)nn1,FFOFBRZGNOKDFN-UHFFFAOYSA-N
rxn:1:55345:1060,Cc1ncc(C2CC2Cn2cc(-c3cc(Br)cs3)nn2)cc1N,GMAGMPSUFCDJSD-UHFFFAOYSA-N
rxn:1:56986:170,Cc1c(N)ccc(-c2cn(-c3cccc(CCCS)c3)nn2)c1C,PKWSKPUCXNGPQC-UHFFFAOYSA-N
rxn:1:57009:39024,Cc1cscc1CCCn1cc(-c2ccc(O)nc2)nn1,DKGYQTSLVLGOFO-UHFFFAOYSA-N
rxn:1:57009:39921,Cc1cscc1CCCn1cc(-c2ccc(I)nn2)nn1,LUUSLGNMVXKQIR-UHFFFAOYSA-N
rxn:1:57044:31438,N#Cc1cnc(N)c(-c2cn(CCCc3nc(Br)cs3)nn2)c1,SQUWSWRRXHFJRU-UHFFFAOYSA-N
rxn:1:57291:28370,Cn1nc(-c2cn(CCCc3cc(Br)cc(Br)c3)nn2)cc1N,AWOMIFYKWAQKDT-UHFFFAOYSA-N
rxn:1:57361:2983,Nc1ncc(Cl)cc1CCCn1cc(Cc2ccc(Br)s2)nn1,SWPQFZFJXALYDB-UHFFFAOYSA-N
rxn:1:58688:20594,Nc1cc(Cl)ncc1-c1cn(CCCCc2ccc(Cl)s2)nn1,RDOTYAHEXYFBPO-UHFFFAOYSA-N
rxn:1:58984:1060,Nc1cc(Cl)cnc1CCCCn1cc(-c2cc(Br)cs2)nn1,YMQPBCMVMWAHSF-UHFFFAOYSA-N
rxn:1:59847:30981,Cc1nn(C)c(Br)c1-c1cn([C@@H]2CCCCC[C@H]2I)nn1,NOFSVDAUYMPURW-ZYHUDNBSSA-N
rxn:1:61827:16990,CCCc1n[nH]cc1-c1cn(-c2ccc(I)c(Br)c2)nn1,KQCVLYGWVBXQPR-UHFFFAOYSA-N
rxn:1:61827:5553,CC(N)c1cn(-c2ccc(I)c(Br)c2)nn1,WTNWHSSXYOQFFC-UHFFFAOYSA-N
rxn:1:61827:8634,CN(C)C1(c2cn(-c3ccc(I)c(Br)c3)nn2)CCC1,LVVZQDOTNNSKOQ-UHFFFAOYSA-N
rxn:1:62322:6564,CNCCc1ccc(-n2cc(CCC(F)CBr)nn2)cc1,VAVYCOIBKUAMMM-UHFFFAOYSA-N
rxn:1:65661:3808,COc1nc(-c2cn(CC=Cc3ccsc3)nn2)ncc1C,ZQEHYTHTLVDHPV-UHFFFAOYSA-N
rxn:1:40607:39089,Cc1c(C=CCn2cc(-c3ccc(Br)s3)nn2)cnc(N)c1N,NVIKJGITSNVQGF-UHFFFAOYSA-N
rxn:1:41711:31986,Cc1cc(N)cc(C)c1-c1cn(-c2ccc(I)cc2Br)nn1,JVKSAWVJOKLTGI-UHFFFAOYSA-N
rxn:1:41792:3803,Cc1cc(-c2cn(CC=Cc3sccc3Cl)nn2)ccc1N,DGLVZWDEILHNFU-UHFFFAOYSA-N
rxn:1:41881:341,CNCC=Cc1cccc(-n2cc(Cc3ccsc3)nn2)c1,PHEZWFAIJASDOX-UHFFFAOYSA-N
rxn:1:41904:31454,Nc1nc(Cl)ncc1-c1cn(CC#Cc2ccsc2)nn1,TWIANEPLUXSJEH-UHFFFAOYSA-N
rxn:1:41917:6373,Cc1cc(-c2cn(CC#Cc3ccsc3C)nn2)n2ncnc2n1,SUMYLKQRKCTQDQ-UHFFFAOYSA-N
rxn:1:41923:2762,Clc1cc(-c2cn(CC#Cc3ccsc3Cl)nn2)c(Br)cn1,GBRPJMJPCLOJQB-UHFFFAOYSA-N
rxn:1:42586:2983,COc1ncc(N)cc1C#CCn1cc(Cc2ccc(Br)s2)nn1,BFGRLYHXQQZQSB-UHFFFAOYSA-N
rxn:1:47806:3265,CNC(C)Cc1cn(-c2nccc3c(Br)c[nH]c23)nn1,VHYKMIQAPKQFQV-UHFFFAOYSA-N
rxn:1:51711:37233,Cc1nc(O)ccc1-c1ccc(-c2cn(CCCF)nn2)cc1,UHWIYLFZIATWBP-UHFFFAOYSA-N
rxn:1:53329:39921,FC1(F)C(CCn2cc(-c3ccc(I)nn3)nn2)C1c1cscn1,WSWCEEPOLZMFMG-UHFFFAOYSA-N
rxn:1:55039:39921,Brc1cnc(C2CC2Cn2cc(-c3ccc(I)nn3)nn2)nc1,HBJZXOOFTCRJCX-UHFFFAOYSA-N
rxn:1:55326:39921,Nc1cc(Cl)cnc1C1CC1Cn1cc(-c2ccc(I)nn2)nn1,RMKOWHZSRNBODJ-UHFFFAOYSA-N
rxn:1:56997:20555,Nc1c(-c2cn(CCCc3cscn3)nn2)cnc(Cl)c1I,WHEBWQBIYWTYQA-UHFFFAOYSA-N
rxn:1:57037:2695,Cc1cnc(CCCn2cc(-c3cc(Cl)nc(Cl)c3)nn2)s1,LEYGXRBFUTZJKS-UHFFFAOYSA-N
rxn:1:57064:2783,Cc1cc(-c2cn(CCCc3cc(C)c(Br)s3)nn2)n[nH]1,SFIXBBORTRMJLI-UHFFFAOYSA-N
rxn:1:57270:5553,CC(N)c1cn(CCCc2cc(Br)ccc2Br)nn1,YKBZCGWCSXUIKF-UHFFFAOYSA-N
rxn:1:57359:357,Cc1ccc(-c2cn(CCCc3cnc(Cl)cc3N)nn2)s1,JWJNLBAOQITRBQ-UHFFFAOYSA-N
rxn:1:58661:31197,Oc1cnc(-c2cn(-c3cccc(CCCCS)c3)nn2)nc1,ZSAKNICMRDJVPO-UHFFFAOYSA-N
rxn:1:58687:6388,Brc1cscc1CCCCn1cc(-c2ccc3nccn3n2)nn1,OYXHEQMHRGDIJP-UHFFFAOYSA-N
rxn:1:59853:4564,C[C@@H]1CNC[C@@H]1n1cc(COc2ccc(Cl)cc2Br)nn1,YASGQFOFTSPOSA-RNCFNFMXSA-N
rxn:1:62688:12209,CCO[C@@H]1CNC[C@H]1c1cn(-c2cc(I)cc(I)c2I)nn1,JYUKNBOKWKYNTN-TVQRCGJNSA-N
rxn:1:62688:28401,COC(CN)c1cn(-c2cc(I)cc(I)c2I)nn1,WEGJZJYGEDSFID-UHFFFAOYSA-N
rxn:1:65673:6355,Cc1cc(-c2cn(CC=Cc3ccsc3C)nn2)ncc1F,UQPKTFHMYPMBKH-UHFFFAOYSA-N
rxn:1:65680:20555,Nc1ncc(C=CCn2cc(-c3cnc(Cl)c(I)c3N)nn2)s1,CKGDORYESJRLFP-UHFFFAOYSA-N
rxn:1:65703:39021,Sc1cccc(C=CCn2cc(-c3cnc4[nH]ncc4c3)nn2)c1,QWGOCJROGODTQM-UHFFFAOYSA-N
rxn:1:41613:31836,Cc1cc(C#N)ncc1-c1cn(-c2cc(Br)ccc2Br)nn1,FOZAJKGMFMFCPC-UHFFFAOYSA-N
rxn:1:41711:2204,Cn1ncc(C(=O)c2cn(-c3ccc(I)cc3Br)nn2)c1N,QURPDZQVDOQCEV-UHFFFAOYSA-N
rxn:1:41847:1731,Nc1nnc(Cl)cc1-c1cn(CC=Cc2cscc2Br)nn1,DLMAMUPAHBKHSR-UHFFFAOYSA-N
rxn:1:41904:23564,CNc1sc(-c2cn(CC#Cc3ccsc3)nn2)c(N)c1C#N,WJHBVTAYICFJSF-UHFFFAOYSA-N
rxn:1:41912:7807,Brc1cnc(-c2cn(CC#Cc3cscn3)nn2)cn1,QCPVHZKYRVSMQJ-UHFFFAOYSA-N
rxn:1:41973:2756,Cc1cc(Br)c(-c2cn(CC#Cc3cncnc3Cl)nn2)s1,VKVHIHMZGDWWQW-UHFFFAOYSA-N
rxn:1:43247:39089,Nc1c(F)cc([N+](=O)[O-])cc1C#CCn1cc(-c2ccc(Br)s2)nn1,NCRJACMELFJYEA-UHFFFAOYSA-N
rxn:1:43390:8557,O=c1[nH]cnc2cc(C#CCn3cc(-c4csc(Br)c4)nn3)ccc12,OMQRTUNIDLRIOA-UHFFFAOYSA-N
rxn:1:47710:12181,CCC(C)(c1cn(-c2nccc3c(I)c[nH]c23)nn1)C(F)F,FDVQLOMWXGFHKO-UHFFFAOYSA-N
rxn:1:49432:23536,Nc1c(-c2cn(C3(CI)CCNC3)nn2)oc2c(Br)cncc12,WQOGZNHAOJBLOX-UHFFFAOYSA-N
rxn:1:52071:39921,Fc1c(C2CC2CCn2cc(-c3ccc(I)nn3)nn2)ccnc1Cl,VUKCWGCTBVKKLO-UHFFFAOYSA-N
rxn:1:54959:31336,COc1cc(-c2cn(CC3CC3c3ccsc3Cl)nn2)ccc1N,MXNURZJQIQELNO-UHFFFAOYSA-N
rxn:1:55316:357,Cc1ccc(-c2cn(CC3CC3c3cnc(Cl)cc3N)nn2)s1,YOAKUBILHTVHFM-UHFFFAOYSA-N
rxn:1:55319:2983,Nc1ncc(F)cc1C1CC1Cn1cc(Cc2ccc(Br)s2)nn1,KVKWSKFCXVSWIK-UHFFFAOYSA-N
rxn:1:55326:357,Cc1ccc(-c2cn(CC3CC3c3ncc(Cl)cc3N)nn2)s1,UQBVZGDAKBRKJP-UHFFFAOYSA-N
rxn:1:55334:1060,Cc1cc(C2CC2Cn2cc(-c3cc(Br)cs3)nn2)cnc1N,ZRDHKYFNNAAGAV-UHFFFAOYSA-N
rxn:1:55938:1148,COc1nc(C2CC2Cn2cc(-c3cc(Cl)cs3)nn2)cnc1N,GHFFBNJAZWEDNT-UHFFFAOYSA-N
rxn:1:55948:32133,C[Si](C)(C)Oc1cc(Br)cc(-c2cn(CCI)nn2)c1,VKAIGJKFVSQZJA-UHFFFAOYSA-N
rxn:1:56971:1394,OC1(c2cn(-c3cccc(C4CC4CBr)c3)nn2)CSC1,CWMLPXQJCCPRDS-UHFFFAOYSA-N
rxn:1:57004:31409,Cc1sccc1CCCn1cc(-c2ccc(Br)c(O)c2)nn1,IEPQGECHQZVPSG-UHFFFAOYSA-N
rxn:1:57012:31837,N#Cc1ncc(-c2cn(CCCc3ccc(Cl)s3)nn2)cc1F,JTGAAYFAMSVLSM-UHFFFAOYSA-N
rxn:1:57014:7279,CC[C@H](N)c1cn(CCCc2cc(Br)cs2)nn1,MPPCINBJVGPERN-NSHDSACASA-N
rxn:1:57359:39921,Nc1cc(Cl)ncc1CCCn1cc(-c2ccc(I)nn2)nn1,UGCXCGJZZUFJMT-UHFFFAOYSA-N
rxn:1:58687:39020,Brc1cscc1CCCCn1cc(-c2ccc3cn[nH]c3n2)nn1,WYXSCMBCIDNXCD-UHFFFAOYSA-N
rxn:1:58687:39021,Brc1cscc1CCCCn1cc(-c2cnc3[nH]ncc3c2)nn1,KYQVBSBYNSRIMY-UHFFFAOYSA-N
rxn:1:59985:18180,CCc1cnn(-c2ccc(-c3cn([C@@H]4CC[C@H]4I)nn3)cc2)c1O,OIIVQWBRAXBWKB-GDBMZVCRSA-N
rxn:1:61827:11880,NC12CC(c3cn(-c4ccc(I)c(Br)c4)nn3)(C1)C2,FGAKGBPEBKBCPF-UHFFFAOYSA-N
rxn:1:61827:28642,NC1CCc2cc(-c3cn(-c4ccc(I)c(Br)c4)nn3)ccc21,AILOTGUPYZRAJY-UHFFFAOYSA-N
rxn:1:61827:572,OC1(c2cn(-c3ccc(I)c(Br)c3)nn2)CNC1,PRYDFEQTJSKVBZ-UHFFFAOYSA-N
rxn:1:62307:20555,Nc1c(-c2cn(-c3cncc(Cl)c3)nn2)cnc(Cl)c1I,MWMQCIRAIGUQPD-UHFFFAOYSA-N
rxn:1:62688:31969,CN1CC[C@H](c2cn(-c3cc(I)cc(I)c3I)nn2)[C@]1(C)CO,GNHFDTMTWVMUFO-BMIGLBTASA-N
rxn:1:65673:39019,Cc1sccc1C=CCn1cc(-c2cncc3[nH]ncc23)nn1,LAYQFYRPTOSDOM-UHFFFAOYSA-N
rxn:1:41458:31743,COC[C@@H](N)c1ccc(-c2cn(-c3ccc(F)cc3Br)nn2)cc1,VKADRICQFGXCBY-OAHLLOKOSA-N
rxn:1:41624:31195,Brc1ccc(-n2cc(-c3ccc4c(c3)CNC4)nn2)c(Br)c1,FGDBCIBEIHWXIC-UHFFFAOYSA-N
rxn:1:41711:38459,OC1(c2cn(-c3ccc(I)cc3Br)nn2)CC2CCC1C2,WIQOMZYPXWOTMA-UHFFFAOYSA-N
rxn:1:41847:122,Nc1c(Cl)ncnc1-c1cn(CC=Cc2cscc2Br)nn1,PBTOUYCJVUTLLC-UHFFFAOYSA-N
rxn:1:41847:2050,C[C@@H](N)c1ccc(-c2cn(CC=Cc3cscc3Br)nn2)cc1,OSVCCWZLRMJERQ-GFCCVEGCSA-N
rxn:1:41847:3191,NCC(=O)c1ccc(-c2cn(CC=Cc3cscc3Br)nn2)cc1,RDASKOSFRGXWIC-UHFFFAOYSA-N
rxn:1:41886:8718,Cc1cc(-c2cn(-c3cccc(C=CCCl)c3)nn2)cnc1N,ARQLIOWLXJRWSB-UHFFFAOYSA-N
rxn:1:41917:31611,COc1ncc(-c2cn(CC#Cc3ccsc3C)nn2)c(N)n1,AJYUBLMQEXHWCJ-UHFFFAOYSA-N
rxn:1:41923:31330,O=c1[nH]nc(Cl)cc1-c1cn(CC#Cc2ccsc2Cl)nn1,SQMWEXGUXJSORR-UHFFFAOYSA-N
rxn:1:41973:20555,Nc1c(-c2cn(CC#Cc3cncnc3Cl)nn2)cnc(Cl)c1I,TZWOTXGOEKIFDT-UHFFFAOYSA-N
rxn:1:42110:8718,Cc1cc(-c2cn(CC#Cc3cccc(F)c3Cl)nn2)cnc1N,AHYDHXUBUCFUSS-UHFFFAOYSA-N
rxn:1:42186:351,COc1ccc(-c2cn(CC#Cc3cnc(Cl)cc3N)nn2)s1,FGBOHBXBHFUATC-UHFFFAOYSA-N
rxn:1:42304:5997,Clc1cncc(Cl)c1C#CCn1cc(Cn2ccc(I)n2)nn1,HUCOBYCXTOLNBH-UHFFFAOYSA-N
rxn:1:43406:20555,Cc1cccc(CCn2cc(-c3cnc(Cl)c(I)c3N)nn2)n1,REOYGMSTFWDGSM-UHFFFAOYSA-N
rxn:1:43628:38814,Nc1c(Br)cncc1-c1cn(CC#Cc2ncc(Br)cn2)nn1,JTYKXLQXNOJRFU-UHFFFAOYSA-N
rxn:1:43719:7253,CC(C)[C@@H](N)c1cn(-c2ccc(Cl)c(I)c2)nn1,OMVWJHCNNVYXPB-GFCCVEGCSA-N
rxn:1:43730:37700,N[C@H]1C=C(c2cn(-c3ccc(Br)cc3I)nn2)CC1,SVEGVPSDVWUIMN-SNVBAGLBSA-N
rxn:1:44567:1060,COc1nc(C#CCCn2cc(-c3cc(Br)cs3)nn2)cnc1N,JUGYFHHTNGTCEZ-UHFFFAOYSA-N
rxn:1:45656:8557,Cc1ccc(N)nc1C=CCCn1cc(-c2csc(Br)c2)nn1,JOHJWJACZOWOPZ-UHFFFAOYSA-N
rxn:1:52145:1060,Nc1nc(Cl)cnc1C1CC1CCn1cc(-c2cc(Br)cs2)nn1,GVDYVXWCZQEQEW-UHFFFAOYSA-N
rxn:1:53562:2946,CCn1cncc1-c1cn(Cc2ccc(Br)cc2I)nn1,ZVIWGCCFJTVIAW-UHFFFAOYSA-N
rxn:1:55038:39921,Clc1cnc(C2CC2Cn2cc(-c3ccc(I)nn3)nn2)nc1,MNZBPKWUYFIHOA-UHFFFAOYSA-N
rxn:1:55900:39921,Nc1cc(Cl)cc(C2CC2Cn2cc(-c3ccc(I)nn3)nn2)c1O,VHGCSKLSZNHAMD-UHFFFAOYSA-N
rxn:1:57013:31054,Nc1ncnc2c1ncn2-c1cn(CCCc2ccc(Br)s2)nn1,IZIZQIHUJJKHMT-UHFFFAOYSA-N
rxn:1:57047:2180,CSCC(N)c1cn(CCCc2cc(Br)c(Br)s2)nn1,LDSLCAWBFSCKIX-UHFFFAOYSA-N
rxn:1:57047:3315,BrCCNCc1cn(CCCc2cc(Br)c(Br)s2)nn1,PQKRICJLERALEC-UHFFFAOYSA-N
rxn:1:57050:39921,Cc1cc(CCCn2cc(-c3ccc(I)nn3)nn2)c(C)s1,IGLMVBIPWJIAMZ-UHFFFAOYSA-N
rxn:1:57369:357,Cc1ccc(-c2cn(CCCc3ncc(F)cc3N)nn2)s1,TTZSEMLEPGOXFS-UHFFFAOYSA-N
rxn:1:57548:357,Cc1ccc(-c2cn(CCCc3cnc(Cl)nc3N)nn2)s1,OJTYRYKGIAIOOZ-UHFFFAOYSA-N
rxn:1:61887:2754,NC12CCC(n3cc(-c4cc(Br)ccc4O)nn3)(CC1)C2,HVAFLHTZBQNHFD-UHFFFAOYSA-N
rxn:1:62096:31947,Oc1c(Cl)cc(-c2cn(CCCCCBr)nn2)cc1Cl,MAZBEDSAHBUAQH-UHFFFAOYSA-N
rxn:1:62688:23093,NC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CC2(CCC2)C1,XLHNAAQZSQWLPN-UHFFFAOYSA-N
rxn:1:40062:1059,Nc1cc(Cl)ncc1C=CCn1cc(-c2sccc2Br)nn1,BNZBZXKVQLYVCX-UHFFFAOYSA-N
rxn:1:41487:2047,Cc1ccc(-n2cc(-c3ccc([C@H](N)CO)cc3)nn2)c(Br)c1,FDNWKGAKEWHDTB-OAHLLOKOSA-N
rxn:1:41711:24161,CN(C)C1CCC(c2cn(-c3ccc(I)cc3Br)nn2)CC1,HZPJPXCGLKJVIJ-UHFFFAOYSA-N
rxn:1:41718:31436,O=Cc1cc(-c2cn(-c3cc(Br)ccc3I)nn2)ccn1,FENNHAIQGRNITP-UHFFFAOYSA-N
rxn:1:41977:1461,Nc1ccncc1C#CCn1cc(-c2cc(Cl)c(Cl)c(Cl)c2)nn1,ZDGLBDPUHGDYDE-UHFFFAOYSA-N
rxn:1:42322:1674,Oc1cc(C#CCn2cc(-c3ccc(I)o3)nn2)cnc1O,PTMDCVZHVGXEMV-UHFFFAOYSA-N
rxn:1:42845:1148,Nc1ncnc2[nH]nc(C#CCn3cc(-c4cc(Cl)cs4)nn3)c12,QNHFBSROBMJRFE-UHFFFAOYSA-N
rxn:1:43710:1148,Nc1ncnc2[nH]cc(C#CCn3cc(-c4cc(Cl)cs4)nn3)c12,OUXUCYGORKDLIN-UHFFFAOYSA-N
rxn:1:43730:12152,NC[C@@H]1C[C@H]1c1cn(-c2ccc(Br)cc2I)nn1,BTTVHTMMOQZVLJ-IONNQARKSA-N
rxn:1:44423:1060,COc1cc(C#CCCn2cc(-c3cc(Br)cs3)nn2)cnc1N,RDKUWMSENXROLF-UHFFFAOYSA-N
rxn:1:44606:1060,Brc1csc(-c2cn(CCC#Cc3cnc4nc[nH]c4c3)nn2)c1,CEWYPWDYTHYUNT-UHFFFAOYSA-N
rxn:1:49068:13922,CNc1ccc(-c2cn(C[C@@H](O)c3csc(Cl)c3)nn2)c(C)c1,KYIRAGZEKGLQRR-OAHLLOKOSA-N
rxn:1:49433:18615,Cc1nn(C(C)C)cc1-c1cn(C2(CI)CNC2)nn1,SQBQVQDKQDFXMO-UHFFFAOYSA-N
rxn:1:53095:35963,Cc1cc(F)ccc1-c1ccc(-c2cn(CCCBr)nn2)nc1,NGXDZYIKOZJBOD-UHFFFAOYSA-N
rxn:1:54965:38682,Brc1ccsc1C1CC1Cn1cc(-c2cnc3nc[nH]c3c2)nn1,CLIMUZCEYAWIPX-UHFFFAOYSA-N
rxn:1:55316:1060,Nc1cc(Cl)ncc1C1CC1Cn1cc(-c2cc(Br)cs2)nn1,OEXBBOVSTQIMFJ-UHFFFAOYSA-N
rxn:1:56377:31110,Nc1ncc(-c2cn(CCCSc3cccs3)nn2)cc1Cl,NKSXAHBFXZVJHQ-UHFFFAOYSA-N
rxn:1:57004:31957,Cc1sccc1CCCn1cc(-c2cnc(F)cc2N)nn1,UCOZJNLKWYBEDO-UHFFFAOYSA-N
rxn:1:57015:39278,CCC(N)c1cn(CCCc2sccc2Cl)nn1,SBBOUKNQNKYGNO-UHFFFAOYSA-N
rxn:1:57047:13972,CNC1(c2cn(CCCc3cc(Br)c(Br)s3)nn2)CC1,SZVGUMFQEMYROK-UHFFFAOYSA-N
rxn:1:57047:31915,Nc1ncnc2[nH]nc(-c3cn(CCCc4cc(Br)c(Br)s4)nn3)c12,VSIJGMXKTYKBEV-UHFFFAOYSA-N
rxn:1:57047:31930,Cc1cncc(-c2cn(CCCc3cc(Br)c(Br)s3)nn2)c1N,BKRWMOQLLPVZPV-UHFFFAOYSA-N
rxn:1:57369:39921,Nc1cc(F)cnc1CCCn1cc(-c2ccc(I)nn2)nn1,GIWQVBZJHLRUGR-UHFFFAOYSA-N
rxn:1:57801:39921,NCc1cc(F)ccc1CCCn1cc(-c2ccc(I)nn2)nn1,CGZUWIQROILOAN-UHFFFAOYSA-N
rxn:1:59997:23537,CS[C@@H]1CCC[C@@H]1n1cc(-c2oc3c(Cl)cncc3c2N)nn1,SNFWRZDRHLWTBE-NWDGAFQWSA-N
rxn:1:59999:20555,Nc1c(-c2cn(C[C@@H]3C[C@H]4CC[C@@H]3O4)nn2)cnc(Cl)c1I,QESHJZFCLMLSMS-RNSXUZJQSA-N
rxn:1:60052:7772,Brc1ccc2c(-c3cn(Cc4cnn5cc[nH]c45)nn3)c[nH]c2c1,MLVNORSTRONZJQ-UHFFFAOYSA-N
rxn:1:62322:7112,CNCCc1ccc(-n2cc(C(C)CCBr)nn2)cc1,PEDLTBVDUIAVHC-UHFFFAOYSA-N
rxn:1:62389:7772,CSC1CCC1n1cc(-c2c[nH]c3cc(Br)ccc23)nn1,GAYUXZMLTYLBKA-UHFFFAOYSA-N
rxn:1:64629:20555,Nc1c(-c2cn(CC3CCCC3)nn2)cnc(Cl)c1I,XIWANLZCIHYWDJ-UHFFFAOYSA-N
rxn:1:41624:11723,Cn1cc(-c2cn(-c3ccc(Br)cc3Br)nn2)c(CN)n1,SYMLZMALJCHSSK-UHFFFAOYSA-N
rxn:1:41624:8718,Cc1cc(-c2cn(-c3ccc(Br)cc3Br)nn2)cnc1N,RRTCFAITSYIMJU-UHFFFAOYSA-N
rxn:1:41711:39828,NC(c1cccnc1)c1cn(-c2ccc(I)cc2Br)nn1,RDJQKIWTILLXCV-UHFFFAOYSA-N
rxn:1:41847:3674,Nc1ncnc2[nH]cc(-c3cn(CC=Cc4cscc4Br)nn3)c12,JAJBJCQXICXKNN-UHFFFAOYSA-N
rxn:1:42029:8721,Cc1ccc(-n2cc(-c3c(C)nsc3C)nn2)cc1I,XPDVGIHMEIQOJB-UHFFFAOYSA-N
rxn:1:42029:9269,Cc1ccc(-n2cc(CC(O)C(C)C)nn2)cc1I,JSOVZLKILJQZPC-UHFFFAOYSA-N
rxn:1:42536:3803,Cc1cc(-c2cn(CC#Cc3cc(Cl)c(O)cc3Cl)nn2)ccc1N,KJPQFZUGJFGNPS-UHFFFAOYSA-N
rxn:1:42543:2983,N#Cc1cc(C#CCn2cc(Cc3ccc(Br)s3)nn2)cnc1Cl,JXKPJTFOAHYUJE-UHFFFAOYSA-N
rxn:1:43680:38619,Clc1ccc(-c2cn(CC#Cc3cc(Br)cnc3Cl)nn2)cn1,NYJDTXNGBYENRF-UHFFFAOYSA-N
rxn:1:43719:24200,CC(c1cn(-c2ccc(Cl)c(I)c2)nn1)N1CCC1,BEJAGOCWMBASQE-UHFFFAOYSA-N
rxn:1:45310:2927,CSCCc1cn(-c2cccc(C#CCCN)c2)nn1,OQRWJFQILWANHI-UHFFFAOYSA-N
rxn:1:51585:28139,Nc1ncc(-c2cn(CCC3CC3c3ccsc3Cl)nn2)c(N)n1,WLTRVYKWMXKCHF-UHFFFAOYSA-N
rxn:1:53017:23656,c1ncc2c(-c3cn(CCCc4ccsc4)nn3)c[nH]c2n1,XIXGTCZNUQWNFE-UHFFFAOYSA-N
rxn:1:53562:39076,Brc1ccc(Cn2cc([C@H]3CCCN3)nn2)c(I)c1,QINZNLZJTKFFOA-GFCCVEGCSA-N
rxn:1:55948:23562,Cc1cc2c(N)c(-c3cn(CCI)nn3)oc2nc1C,KHSNWPOBTWBECS-UHFFFAOYSA-N
rxn:1:56973:1394,OC1(c2cn(-c3cccc(C4CC4CCl)c3)nn2)CSC1,HDWBFCANDDTWEE-UHFFFAOYSA-N
rxn:1:57004:31438,Cc1sccc1CCCn1cc(-c2cc(C#N)cnc2N)nn1,XNARFYGWGMGIDN-UHFFFAOYSA-N
rxn:1:57047:38682,Brc1cc(CCCn2cc(-c3cnc4nc[nH]c4c3)nn2)sc1Br,KHWRBPKWGMGNPF-UHFFFAOYSA-N
rxn:1:57047:6997,Brc1cc(CCCn2cc(-c3ncnc4[nH]cnc34)nn2)sc1Br,CUIKFJUGNNJRIZ-UHFFFAOYSA-N
rxn:1:57363:7707,Cc1cnc(-c2cn(CCCc3cc(Br)cnc3N)nn2)s1,WUWNTWWEWMCTRD-UHFFFAOYSA-N
rxn:1:58716:31438,N#Cc1cnc(N)c(-c2cn(CCCCc3csc(Br)n3)nn2)c1,RNVOUYMEWOUSBF-UHFFFAOYSA-N
rxn:1:59426:20555,CC(Cn1cc(-c2cnc(Cl)c(I)c2N)nn1)C1CCC1,XEMNWZPADSJQCI-UHFFFAOYSA-N
rxn:1:59985:3114,COc1cc(Cl)cc(-c2cn([C@@H]3CC[C@H]3I)nn2)c1O,MYDZGNNXCFNHAD-MWLCHTKSSA-N
rxn:1:61827:3733,Cc1ncc(N)cc1-c1cn(-c2ccc(I)c(Br)c2)nn1,DVIKUKLGSCDURI-UHFFFAOYSA-N
rxn:1:61827:39124,CNCc1cn(-c2ccc(I)c(Br)c2)nn1,LIYYKEWYAVSRGX-UHFFFAOYSA-N
rxn:1:61827:8535,C[C@H](N)Cc1cn(-c2ccc(I)c(Br)c2)nn1,NQFSFOWGSSOOGR-ZETCQYMHSA-N
rxn:1:62688:32728,F[C@]12CCC[C@]1(c1cn(-c3cc(I)cc(I)c3I)nn1)CNC2,JLJILGWTNYDUBZ-CABCVRRESA-N
rxn:1:65673:31454,Cc1sccc1C=CCn1cc(-c2cnc(Cl)nc2N)nn1,SNAAEKXYYYXXLH-UHFFFAOYSA-N
rxn:1:41777:31524,Nc1c(F)cncc1-c1cn(CC=Cc2csc(Br)n2)nn1,OCGUWTPQDGNAAP-UHFFFAOYSA-N
rxn:1:41788:23539,Cc1csc(C=CCn2cc(-c3oc4nccnc4c3N)nn2)c1,VHBWGDFVOZTMTN-UHFFFAOYSA-N
rxn:1:41788:31279,Cc1csc(C=CCn2cc(-c3cnc(Cl)c(F)c3N)nn2)c1,IDHICOXMXRYORV-UHFFFAOYSA-N
rxn:1:41917:31149,Cc1sccc1C#CCn1cc(-c2cc(Br)n3ncnc(N)c23)nn1,HWIYMBAEZYNVPO-UHFFFAOYSA-N
rxn:1:41921:2989,Cc1cscc1C#CCn1cc(-c2ccc(C(C)N)cc2)nn1,HABNZMDRCLYFIT-UHFFFAOYSA-N
rxn:1:41923:2962,Clc1cc(-c2cn(CC#Cc3ccsc3Cl)nn2)c(Cl)nn1,GXKDBYPOUPLZQK-UHFFFAOYSA-N
rxn:1:42215:1881,CC(c1ccc(F)c(Br)c1)n1cc(-c2cnc3scnc3c2)nn1,HBKPMQQLKYIVCD-UHFFFAOYSA-N
rxn:1:43794:20594,Cc1sccc1C#CCCn1cc(-c2cnc(Cl)cc2N)nn1,QBUOSXSPMSRFLA-UHFFFAOYSA-N
rxn:1:44567:1148,COc1nc(C#CCCn2cc(-c3cc(Cl)cs3)nn2)cnc1N,FMCNKTUCIQBGAQ-UHFFFAOYSA-N
rxn:1:47440:1060,Cc1cc(C(O)C(O)Cn2cc(-c3cc(Br)cs3)nn2)cc(Cl)c1N,PYUTWXRICTXPQL-UHFFFAOYSA-N
rxn:1:51563:31438,N#Cc1cnc(N)c(-c2cn(CCC3CC3c3ccsc3)nn2)c1,CVGLNZGYZTZQFZ-UHFFFAOYSA-N
rxn:1:55327:39921,Nc1cc(F)cnc1C1CC1Cn1cc(-c2ccc(I)nn2)nn1,LPORWAGEJDNYIT-UHFFFAOYSA-N
rxn:1:55948:7125,ICCn1cc(-c2ccc(OC3CCC3)nc2)nn1,FCRDDEZVZITBIS-UHFFFAOYSA-N
rxn:1:57007:39921,Cc1ccsc1CCCn1cc(-c2ccc(I)nn2)nn1,MDESWAQNENPFLE-UHFFFAOYSA-N
rxn:1:57017:2059,NC1(c2cn(CCCc3sccc3Br)nn2)CCC1,NSASANXKRIBXOX-UHFFFAOYSA-N
rxn:1:57047:27779,Cc1nc(-c2cn(CCCc3cc(Br)c(Br)s3)nn2)nc2[nH]cnc12,QVZNUWBMWWQHJW-UHFFFAOYSA-N
rxn:1:57368:357,Cc1ccc(-c2cn(CCCc3ncc(Cl)cc3N)nn2)s1,NQMQAAIFKSPWME-UHFFFAOYSA-N
rxn:1:57369:1429,Cc1sc(-c2cn(CCCc3ncc(F)cc3N)nn2)cc1Br,ZNIRSKFFMKLPJX-UHFFFAOYSA-N
rxn:1:57833:39921,Cc1c(N)cc(F)cc1CCCn1cc(-c2ccc(I)nn2)nn1,NNUHNGRYUREAJN-UHFFFAOYSA-N
rxn:1:59915:470,CC1CN(C)CC(C)C1(O)c1cn(Cc2sc(Br)cc2Br)nn1,JIGXNGZPJQZXOX-UHFFFAOYSA-N
rxn:1:59974:2980,CN[C@@H](C)Cn1cc(-c2ccc(Br)c(Br)c2)nn1,JFUSFVCKWIZIGJ-QMMMGPOBSA-N
rxn:1:61587:39921,BrCC(C1CCCC1)n1cc(-c2ccc(I)nn2)nn1,FXCGIDQRCBJTMQ-UHFFFAOYSA-N
rxn:1:61895:2983,O=C/C=C/c1ccc(-n2cc(Cc3ccc(Br)s3)nn2)cc1,UMGWOTGRDPTSRF-OWOJBTEDSA-N
rxn:1:62389:2955,CSC1CCC1n1cc(-c2c[nH]c3cc(Cl)ccc23)nn1,HVRFYCFMOOUOOE-UHFFFAOYSA-N
rxn:1:62688:1123,Clc1nc(Cl)nc(OCc2cn(-c3cc(I)cc(I)c3I)nn2)n1,YHIYEOXZAHLQPD-UHFFFAOYSA-N
rxn:1:62688:2361,O=Cc1cccc(-c2cn(-c3cc(I)cc(I)c3I)nn2)n1,GSXLVHHYRRRROS-UHFFFAOYSA-N
rxn:1:62688:32710,Oc1cnc(-c2cn(-c3cc(I)cc(I)c3I)nn2)c(F)c1,ZVCLMGQUWXBWAW-UHFFFAOYSA-N
rxn:1:63757:7779,COc1ccc2c(-c3cn(Cc4ccc(Cl)s4)nn3)c[nH]c2c1,NRNSTBYTYCIOBL-UHFFFAOYSA-N
rxn:1:39939:7772,Brc1ccc2c(-c3cn(Cc4ccncc4)nn3)c[nH]c2c1,BOCPGBQCRSGXQP-UHFFFAOYSA-N
rxn:1:40062:34501,Nc1cc(Cl)ncc1C=CCn1cc(-c2ccc(F)s2)nn1,QLNSJUBGVJBRHZ-UHFFFAOYSA-N
rxn:1:40165:8557,Cc1cccc(N)c1C=CCn1cc(-c2csc(Br)c2)nn1,GXOIUWAFHIJOHO-UHFFFAOYSA-N
rxn:1:40750:3047,CC1CCCCC1(C)n1cc(-c2ccc(O)c(Br)c2)nn1,CHLNNZWSNAQWNT-UHFFFAOYSA-N
rxn:1:41613:31743,COC[C@@H](N)c1ccc(-c2cn(-c3cc(Br)ccc3Br)nn2)cc1,JKHHPTNMILQDPZ-OAHLLOKOSA-N
rxn:1:41718:2498,OC1CNCC1c1cn(-c2cc(Br)ccc2I)nn1,YDHMLAGDPCPYON-UHFFFAOYSA-N
rxn:1:41745:28663,CC(C)(CCN)c1cn(-c2ccc(Cl)c(Br)c2)nn1,CHBGNNQIVLAQRZ-UHFFFAOYSA-N
rxn:1:41847:23232,COc1cc(-c2cn(CC=Cc3cscc3Br)nn2)nc(C)n1,MPSFMSWXFZFLRJ-UHFFFAOYSA-N
rxn:1:42029:3949,Cc1ccc(-n2cc([C@H]3CC[C@H](N)CC3)nn2)cc1I,LGNIZJDIYRLQIL-HAQNSBGRSA-N
rxn:1:42189:39372,Cc1cc(-c2cn(CC#Cc3cc(F)cnc3N)nn2)sc1C,XWGNGPSWXAVQMS-UHFFFAOYSA-N
rxn:1:42234:1068,CCc1nc(-c2cn(CC#Cc3cnc(Cl)nc3Cl)nn2)cs1,AXDQULBVOPPEAO-UHFFFAOYSA-N
rxn:1:43683:2050,C[C@@H](N)c1ccc(-c2cn(CC#Cc3cc(Cl)ncc3Br)nn2)cc1,KJOUIDSTWBVVJH-GFCCVEGCSA-N
rxn:1:43758:340,CNCC#Cc1cccc(-n2cc(Cc3cccs3)nn2)c1,YXJCPRBHXIHSBC-UHFFFAOYSA-N
rxn:1:47710:5199,CC(Cc1cccs1)c1cn(-c2nccc3c(I)c[nH]c23)nn1,INDJLOAIXIQOTM-UHFFFAOYSA-N
rxn:1:50513:31947,Oc1c(Cl)cc(-c2cn(CCCCCI)nn2)cc1Cl,WXSZCAWFVOGEMT-UHFFFAOYSA-N
rxn:1:55316:39921,Nc1cc(Cl)ncc1C1CC1Cn1cc(-c2ccc(I)nn2)nn1,SBRCXBWZVZIAHL-UHFFFAOYSA-N
rxn:1:55508:2756,Cc1cc(Br)c(-c2cn(CC3CC3c3cnc(Cl)nc3N)nn2)s1,IUFYWMWEAWYDDF-UHFFFAOYSA-N
rxn:1:57043:32373,Clc1nc(Cl)c2ncc(-c3cn(CCCc4csc(Br)n4)nn3)n2n1,QTNRQKUOETYFDP-UHFFFAOYSA-N
rxn:1:57359:1429,Cc1sc(-c2cn(CCCc3cnc(Cl)cc3N)nn2)cc1Br,YENGNRSHIJQEKV-UHFFFAOYSA-N
rxn:1:57369:35342,Nc1cc(F)cnc1CCCn1cc(-c2ccc(Cl)s2)nn1,QYEDLZFOYPSBGX-UHFFFAOYSA-N
rxn:1:58686:31197,Oc1cnc(-c2cn(CCCCc3ccsc3Cl)nn2)nc1,YTTCSZBRUIAZQT-UHFFFAOYSA-N
rxn:1:58985:1060,Nc1cc(F)cnc1CCCCn1cc(-c2cc(Br)cs2)nn1,MHBMAEJKMIZLIG-UHFFFAOYSA-N
rxn:1:59879:2180,CSCC(N)c1cn(-c2c(C)cc(Cl)cc2Br)nn1,MDVMHWRVLWRTKW-UHFFFAOYSA-N
rxn:1:59997:7772,CS[C@@H]1CCC[C@@H]1n1cc(-c2c[nH]c3cc(Br)ccc23)nn1,ICMNNXPYTFRYCX-JKSUJKDBSA-N
rxn:1:60013:11765,CN[C@H](C)Cn1cc(-c2cc(Br)cc(Br)c2)nn1,KZVWREINJIEGFA-MRVPVSSYSA-N
rxn:1:60612:20555,Nc1c(-c2cn(Cc3c[nH]nc3C3CC3)nn2)cnc(Cl)c1I,IZQDCOFTIGXGAL-UHFFFAOYSA-N
rxn:1:61592:7772,O[C@H](CCl)[C@H](CCl)n1cc(-c2c[nH]c3cc(Br)ccc23)nn1,OYXQGFLMDZTLLC-UONOGXRCSA-N
rxn:1:61827:23873,CN1CCC[C@H]1c1cncc(-c2cn(-c3ccc(I)c(Br)c3)nn2)c1,NECTXILKZIDBMP-SFHVURJKSA-N
rxn:1:65672:37717,Cc1cc(C=CCn2cc(-c3cnc4[nH]nc(C)c4c3)nn2)cs1,YVFRPZYJRBTPPL-UHFFFAOYSA-N
rxn:1:41624:30483,CCn1cc(-c2cn(-c3ccc(Br)cc3Br)nn2)c(C)n1,KWQTUCNHHDSUQK-UHFFFAOYSA-N
rxn:1:41711:8701,CC1(C)CNC1c1cn(-c2ccc(I)cc2Br)nn1,QGZUWKGIZCBJAL-UHFFFAOYSA-N
rxn:1:41789:23539,Nc1c(-c2cn(CC=Cc3ccc(Br)s3)nn2)oc2nccnc12,AVAHUPAMHAGPOB-UHFFFAOYSA-N
rxn:1:41917:31224,Cc1nc(-c2cn(CC#Cc3ccsc3C)nn2)ccc1N,QYMKROCNVRVABL-UHFFFAOYSA-N
rxn:1:41918:2190,CNCC(C)c1cn(-c2ccc(Cl)cc2I)nn1,KKFGZPDIVVQTJQ-UHFFFAOYSA-N
rxn:1:42306:8557,Fc1ncc(C#CCn2cc(-c3csc(Br)c3)nn2)cc1Cl,CQQIHLUHRSXSEA-UHFFFAOYSA-N
rxn:1:42553:565,N#Cc1ccc(N)c(C#CCn2cc(-c3csc(Cl)c3)nn2)c1,JEWQQFRKBKSVFG-UHFFFAOYSA-N
rxn:1:43710:3249,Nc1ncnc2[nH]cc(C#CCn3cc(-c4ncc(Br)s4)nn3)c12,VZQTYYRXDSHPIF-UHFFFAOYSA-N
rxn:1:47710:12177,CC1(C(F)F)CC(c2cn(-c3nccc4c(I)c[nH]c34)nn2)C1,IPJBOSDHVWFPDH-UHFFFAOYSA-N
rxn:1:51617:31438,N#Cc1cnc(N)c(-c2cn(CCC3CC3c3csc(Br)n3)nn2)c1,WISVYDWOZMHEKY-UHFFFAOYSA-N
rxn:1:52906:2989,Cc1ccsc1Cn1cc(-c2ccc(C(C)N)cc2)nn1,PHKPSBVONQAVMG-UHFFFAOYSA-N
rxn:1:54953:20594,Cc1sccc1C1CC1Cn1cc(-c2cnc(Cl)cc2N)nn1,ITRBAUGZKQSYJP-UHFFFAOYSA-N
rxn:1:55316:1429,Cc1sc(-c2cn(CC3CC3c3cnc(Cl)cc3N)nn2)cc1Br,FEQVPUXAWNYXON-UHFFFAOYSA-N
rxn:1:55334:1148,Cc1cc(C2CC2Cn2cc(-c3cc(Cl)cs3)nn2)cnc1N,PPSOVCVPMALTET-UHFFFAOYSA-N
rxn:1:55345:1595,Cc1ncc(C2CC2Cn2cc(-c3csc(Br)n3)nn2)cc1N,CBKMXKMJGFPZSG-UHFFFAOYSA-N
rxn:1:55948:28566,ICCn1cc(-c2ccc(NC3CC3)nc2)nn1,FVCVKRWRKAGYLY-UHFFFAOYSA-N
rxn:1:57047:31454,Nc1nc(Cl)ncc1-c1cn(CCCc2cc(Br)c(Br)s2)nn1,IWPKRQANNPMWGY-UHFFFAOYSA-N
rxn:1:57064:39024,Cc1cc(CCCn2cc(-c3ccc(O)nc3)nn2)sc1Br,DVUPDSKQROTBRJ-UHFFFAOYSA-N
rxn:1:57369:1421,Nc1cc(F)cnc1CCCn1cc(-c2ccc(F)c(Br)c2)nn1,AVMWHHCZYOIXRA-UHFFFAOYSA-N
rxn:1:57552:1429,Cc1sc(-c2cn(CCCc3ncc(Cl)nc3N)nn2)cc1Br,SVFPEYQMLUCRJD-UHFFFAOYSA-N
rxn:1:62096:32091,N#Cc1ccc(N)c(-c2cn(CCCCCBr)nn2)c1,OQSAPQDNRPSCJG-UHFFFAOYSA-N
rxn:1:62402:31947,CC(=O)[C@H]1C[C@@H](n2cc(-c3cc(Cl)c(O)c(Cl)c3)nn2)C1,ZSGPDMPKFSUYIL-WAAGHKOSSA-N
rxn:1:62688:13971,CCC(CN)c1cn(-c2cc(I)cc(I)c2I)nn1,KSOJYXYYTNOJGM-UHFFFAOYSA-N
rxn:1:62688:39276,OC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CCNC1,FTWDKZQQRJJBPJ-UHFFFAOYSA-N
rxn:1:63757:7777,Fc1ccc2c(-c3cn(Cc4ccc(Cl)s4)nn3)c[nH]c2c1,MHDUDXWSJFCMBT-UHFFFAOYSA-N
rxn:1:41624:2140,NC1(C(=O)c2cn(-c3ccc(Br)cc3Br)nn2)CC1,UETLKUSESVKUAO-UHFFFAOYSA-N
rxn:1:41711:787,CN1CCC(c2cn(-c3ccc(I)cc3Br)nn2)CC1,FQYVUYHMNZVMHB-UHFFFAOYSA-N
rxn:1:41711:9270,OC(Cc1cn(-c2ccc(I)cc2Br)nn1)C1CC1,XEFNIBSFXLISKO-UHFFFAOYSA-N
rxn:1:41718:3949,N[C@H]1CC[C@H](c2cn(-c3cc(Br)ccc3I)nn2)CC1,SOPYMDFCGGVGGN-HOMQSWHASA-N
rxn:1:41847:31469,Cc1ncc(-c2cn(CC=Cc3cscc3Br)nn2)cc1N,SLLXUDATRIKKMY-UHFFFAOYSA-N
rxn:1:41977:287,Nc1ccncc1C#CCn1cc(-c2ccc(SC(F)(F)F)s2)nn1,LWBLYHKKXMUQAN-UHFFFAOYSA-N
rxn:1:42381:8718,Cc1cc(-c2cn(CC#Cc3cc(Cl)cc(F)c3Cl)nn2)cnc1N,DCBYZDXLMMJTCY-UHFFFAOYSA-N
rxn:1:47710:8779,CCCCCCc1cn(-c2nccc3c(I)c[nH]c23)nn1,YEHKPNICBOIMBO-UHFFFAOYSA-N
rxn:1:51586:28139,Nc1ncc(-c2cn(CCC3CC3c3cscc3Br)nn2)c(N)n1,AKIDXAJESKGDHT-UHFFFAOYSA-N
rxn:1:52218:23539,Nc1c(-c2cn(C3CCCC=C3Br)nn2)oc2nccnc12,UFMBBKCYSDNJQD-UHFFFAOYSA-N
rxn:1:54962:3803,Cc1cc(-c2cn(CC3CC3c3ccc(Br)s3)nn2)ccc1N,QCBAGSCZNMRNKA-UHFFFAOYSA-N
rxn:1:55316:2089,Cc1csc(-c2cn(CC3CC3c3cnc(Cl)cc3N)nn2)c1,LKHWKVLHAZLBDS-UHFFFAOYSA-N
rxn:1:55345:39089,Cc1ncc(C2CC2Cn2cc(-c3ccc(Br)s3)nn2)cc1N,DSHMXJDOTJPHDO-UHFFFAOYSA-N
rxn:1:55948:12883,Cc1cncc(Br)c1NC(=O)c1ccc(-c2cn(CCI)nn2)cc1,GEHQSOCOWREWNS-UHFFFAOYSA-N
rxn:1:55948:31331,COc1ccc(-c2cn(CCI)nn2)cc1CN,IJYPZYZUPYNMEO-UHFFFAOYSA-N
rxn:1:55968:39921,Ic1ccc(-c2cn(CC3CC3c3ccnc4[nH]ccc34)nn2)nn1,BAYQQLKQPBOQKO-UHFFFAOYSA-N
rxn:1:57004:39921,Cc1sccc1CCCn1cc(-c2ccc(I)nn2)nn1,KIVOYZSRQUAZEK-UHFFFAOYSA-N
rxn:1:57014:2059,NC1(c2cn(CCCc3cc(Br)cs3)nn2)CCC1,UNKXOALEBLWGDQ-UHFFFAOYSA-N
rxn:1:57017:3313,N#Cc1cc(-c2cn(CCCc3sccc3Br)nn2)c(N)cc1F,BRQHIYADKWXNDS-UHFFFAOYSA-N
rxn:1:57047:11740,CC(CN)c1cn(CCCc2cc(Br)c(Br)s2)nn1,LZMCPQKTSNENCO-UHFFFAOYSA-N
rxn:1:57399:1060,Cc1cnc(CCCn2cc(-c3cc(Br)cs3)nn2)c(N)c1,GIRWJNVDSOXUIH-UHFFFAOYSA-N
rxn:1:59847:31279,Nc1c(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)cnc(Cl)c1F,KCZOWTGSRPXBTM-MWLCHTKSSA-N
rxn:1:59974:11765,CN[C@@H](C)Cn1cc(-c2cc(Br)cc(Br)c2)nn1,KZVWREINJIEGFA-QMMMGPOBSA-N
rxn:1:62389:20555,CSC1CCC1n1cc(-c2cnc(Cl)c(I)c2N)nn1,UHWDKYKOPHFKFA-UHFFFAOYSA-N
rxn:1:62588:5865,Sc1ccnc2ccc(-c3cn(C4CCCC4I)nn3)cc12,URTHDULPFNSPIE-UHFFFAOYSA-N
rxn:1:62688:2229,NC(Cc1cn(-c2cc(I)cc(I)c2I)nn1)C1CC1,CAWGZFOAQRNHNQ-UHFFFAOYSA-N
rxn:1:62688:32362,NC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CC(F)C1,LHQXMZWWNIGSEB-UHFFFAOYSA-N
rxn:1:39985:39021,Fc1cccc(C=CCn2cc(-c3cnc4[nH]ncc4c3)nn2)c1Cl,AEJORHPYTGLROV-UHFFFAOYSA-N
rxn:1:41487:3262,Cc1ccc(-n2cc(-c3c(C)nn(C)c3Cl)nn2)c(Br)c1,GSKHNMMYQMQJGS-UHFFFAOYSA-N
rxn:1:41711:379,Cn1cc(-c2cn(-c3ccc(I)cc3Br)nn2)c(CO)n1,KKQXFTVFYPSJCW-UHFFFAOYSA-N
rxn:1:41745:3949,N[C@H]1CC[C@H](c2cn(-c3ccc(Cl)c(Br)c3)nn2)CC1,HAODIXIIYHKOJL-MGCOHNPYSA-N
rxn:1:41847:2646,NC1(c2ccc(-c3cn(CC=Cc4cscc4Br)nn3)cc2)CC1,JYDUSNZDAODWNJ-UHFFFAOYSA-N
rxn:1:42018:6093,Cc1ccc(I)cc1-n1cc(-c2c(C)n[nH]c2C)nn1,DYGBQBGRLKWCPE-UHFFFAOYSA-N
rxn:1:42311:31463,Fc1cc(-c2cn(CC#Cc3cc(Cl)cnc3Cl)nn2)cnc1Cl,OBXOOEAGWDIVBM-UHFFFAOYSA-N
rxn:1:42846:1060,Clc1ncnc2c(C#CCn3cc(-c4cc(Br)cs4)nn3)c[nH]c12,YJXCFFUBERSJDW-UHFFFAOYSA-N
rxn:1:43710:5448,Nc1ncnc2[nH]cc(C#CCn3cc(-c4nc(Br)cs4)nn3)c12,CYNWBUAZNQEEJM-UHFFFAOYSA-N
rxn:1:43719:30291,Cc1nn(C)c(C)c1-c1cn(-c2ccc(Cl)c(I)c2)nn1,YJRVAWJLBPCADG-UHFFFAOYSA-N
rxn:1:45310:2456,NCCC#Cc1cccc(-n2cc(C(=O)OCCBr)nn2)c1,SGUAVGAFAXVPKB-UHFFFAOYSA-N
rxn:1:45310:351,COc1ccc(-c2cn(-c3cccc(C#CCCN)c3)nn2)s1,SYTZEOLKGAICQC-UHFFFAOYSA-N
rxn:1:45481:1060,Cn1ncc(C=CCCn2cc(-c3cc(Br)cs3)nn2)c1N,ZFURGNBNMLPBLN-UHFFFAOYSA-N
rxn:1:51589:122,Nc1c(Cl)ncnc1-c1cn(CCC2CC2c2cc(Br)cs2)nn1,QADTUKIAYDQWJC-UHFFFAOYSA-N
rxn:1:54952:39921,Cc1cc(C2CC2Cn2cc(-c3ccc(I)nn3)nn2)cs1,RYCRJPYAVXQAKD-UHFFFAOYSA-N
rxn:1:57011:39018,Brc1cscc1CCCn1cc(-c2cc3cn[nH]c3cn2)nn1,MCGYLTLRCSWHLH-UHFFFAOYSA-N
rxn:1:57017:32362,NC1(c2cn(CCCc3sccc3Br)nn2)CC(F)C1,SPXWMTHLZQHGTB-UHFFFAOYSA-N
rxn:1:57047:1582,NC(c1cn(CCCc2cc(Br)c(Br)s2)nn1)C1CC1,QSODXKPVUPNLOT-UHFFFAOYSA-N
rxn:1:58975:35342,Nc1cc(Cl)ncc1CCCCn1cc(-c2ccc(Cl)s2)nn1,SXACLZNPDYDMKN-UHFFFAOYSA-N
rxn:1:59985:2646,NC1(c2ccc(-c3cn([C@@H]4CC[C@H]4I)nn3)cc2)CC1,LHNXRMRNXZSFQD-TZMCWYRMSA-N
rxn:1:61827:23888,FC[C@H]1CNC[C@H]1c1cn(-c2ccc(I)c(Br)c2)nn1,RFRAOHSQQQBELH-WCBMZHEXSA-N
rxn:1:62322:12262,CNCCc1ccc(-n2cc(-c3cc(O)cc(Br)c3)nn2)cc1,BDSOKUABWZEWJT-UHFFFAOYSA-N
rxn:1:62688:12201,CN1C[C@@H](O)[C@@H](c2cn(-c3cc(I)cc(I)c3I)nn2)C1,SRUYLIYNIOBHOL-PRHODGIISA-N
rxn:1:62688:1582,NC(c1cn(-c2cc(I)cc(I)c2I)nn1)C1CC1,ATYICONKMZOJJQ-UHFFFAOYSA-N
rxn:1:65526:17123,COc1cc(-c2cn(CC3CC(=O)N(c4nccc(-c5ccco5)n4)C3)nn2)ccc1-n1nc(O)cc1CC1CCC1,YGSMLTDHKHOGKI-UHFFFAOYSA-N
rxn:1:65673:1693,COc1nc(-c2cn(CC=Cc3ccsc3C)nn2)ncc1F,LTJIQXWNUCHQKG-UHFFFAOYSA-N
rxn:1:65673:38711,Cc1sccc1C=CCn1cc(-c2ncccc2N)nn1,KIGDZCIMRNXEEU-UHFFFAOYSA-N
rxn:1:65729:2983,Cc1n[nH]c(C)c1C=CCn1cc(Cc2ccc(Br)s2)nn1,REALJJGMSLPKAU-UHFFFAOYSA-N
rxn:1:40930:1062,CC(C)(CN)Cn1cc(-c2ccc(Cl)c(Br)c2)nn1,JKMNKOZWCOQNBA-UHFFFAOYSA-N
rxn:1:41718:38722,Nc1cncc(-c2cn(-c3cc(Br)ccc3I)nn2)c1,WVSLKLSHKGNMEX-UHFFFAOYSA-N
rxn:1:41745:3659,CC1(c2cn(-c3ccc(Cl)c(Br)c3)nn2)CCNC1,FSOHCDNNRXDPDU-UHFFFAOYSA-N
rxn:1:41921:8808,Cc1cscc1C#CCn1cc(-c2ccc(CN)cc2)nn1,ARJUMQIYTOVLQG-UHFFFAOYSA-N
rxn:1:42312:23539,Nc1c(-c2cn(CC#Cc3ccc(Cl)nc3Cl)nn2)oc2nccnc12,RTQBVVMVUJZJGT-UHFFFAOYSA-N
rxn:1:42845:1060,Nc1ncnc2[nH]nc(C#CCn3cc(-c4cc(Br)cs4)nn3)c12,IGYREKVUYWLNPI-UHFFFAOYSA-N
rxn:1:49432:1750,Clc1cccc(SCc2cn(C3(CI)CCNC3)nn2)c1Cl,ZSUDQXBXPCESBC-UHFFFAOYSA-N
rxn:1:55320:2089,Cc1csc(-c2cn(CC3CC3c3cc(Br)cnc3N)nn2)c1,FQBISZLQQNLGRD-UHFFFAOYSA-N
rxn:1:55472:1853,Nc1ncc(-c2cn(CC3CC3c3ccc(O)c(Cl)n3)nn2)cc1Br,WGICVVLZDHHQIQ-UHFFFAOYSA-N
rxn:1:55948:27945,SCC=Cc1cccc(-c2cn(CCI)nn2)c1,BVCGZTQGXMRWOD-UHFFFAOYSA-N
rxn:1:57017:31438,N#Cc1cnc(N)c(-c2cn(CCCc3sccc3Br)nn2)c1,KQQQPEKDQZKSAQ-UHFFFAOYSA-N
rxn:1:57043:32047,NCc1ccc(-c2cn(CCCc3csc(Br)n3)nn2)cc1O,QPUXTFKRSXIOFW-UHFFFAOYSA-N
rxn:1:57939:8557,COc1nc(CCCn2cc(-c3csc(Br)c3)nn2)cnc1N,JZPBYUFQMPHUFW-UHFFFAOYSA-N
rxn:1:58069:1429,Cc1sc(-c2cn(CCCc3n[nH]c4ncnc(N)c34)nn2)cc1Br,MQOXAWMQXFFGBJ-UHFFFAOYSA-N
rxn:1:58649:1369,O=c1cnc(-c2cn(-c3cccc(CCCBr)c3)nn2)c[nH]1,FTXGOGXCZQXSBA-UHFFFAOYSA-N
rxn:1:59279:1595,Nc1cc(Cl)cc(CCCCn2cc(-c3csc(Br)n3)nn2)c1O,KKYLLSQPYHWYPL-UHFFFAOYSA-N
rxn:1:59325:35342,Clc1ccc(-c2cn(CCCCc3cnc4nc[nH]c4c3)nn2)s1,QIMRUAHXBBQDRZ-UHFFFAOYSA-N
rxn:1:59915:31895,COc1cc(C)c(-c2cn(Cc3sc(Br)cc3Br)nn2)cn1,YUBDFLMDEGKPCJ-UHFFFAOYSA-N
rxn:1:61827:39706,CC(CO)(CO)Cc1cn(-c2ccc(I)c(Br)c2)nn1,MSRRUEPARLUCKB-UHFFFAOYSA-N
rxn:1:62588:3915,Oc1ncc(-c2cn(C3CCCC3I)nn2)cc1F,HHVSXNOUGHORFT-UHFFFAOYSA-N
rxn:1:62688:12256,NCC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CCCC1,BQHNIEWLABEJGJ-UHFFFAOYSA-N
rxn:1:62688:18918,NCCCCc1cn(-c2cc(I)cc(I)c2I)nn1,JBKFLIZMIORHAY-UHFFFAOYSA-N
rxn:1:64029:31372,CNCCc1ccc(-c2cn(Cc3cscn3)nn2)cc1Cl,PPGQVKDCNOBGNU-UHFFFAOYSA-N
rxn:1:65678:39067,Cc1cc(-c2cn(CC=Cc3ccsc3Cl)nn2)cc(C)n1,CQVFENQQBABZDK-UHFFFAOYSA-N
rxn:3:51425:19661:105750,Cc1cc(-c2cn(CC3C(c4cc(C(F)(F)F)ccc4C(=O)Nc4cc(C56CC7CC(CC(C7)C5)C6)ccc4C)C3(F)F)nn2)n(Cc2ccccc2)n1,QDBKRCMCGLXQQC-UHFFFAOYSA-N
rxn:1:39929:1060,Cc1n[nH]c(N)c1C=CCn1cc(-c2cc(Br)cs2)nn1,SMFSVKQQWKEWHX-UHFFFAOYSA-N
rxn:1:40466:39921,NCc1cc(F)ccc1C=CCn1cc(-c2ccc(I)nn2)nn1,UZGLLLOGILMNOZ-UHFFFAOYSA-N
rxn:1:41487:2049,Cc1ccc(-n2cc(-c3ccc([C@@H](N)CO)cc3)nn2)c(Br)c1,FDNWKGAKEWHDTB-HNNXBMFYSA-N
rxn:1:41662:7755,Cc1ccc(-n2cc(C3(C)CCCN3)nn2)cc1Br,GFFANRFUMIZXGC-UHFFFAOYSA-N
rxn:1:41711:31452,Cc1cc(CO)ccc1-c1cn(-c2ccc(I)cc2Br)nn1,CDSPETFETVLAEU-UHFFFAOYSA-N
rxn:1:41711:32016,NCc1ccc(-c2cn(-c3ccc(I)cc3Br)nn2)c(Cl)c1,MLWXBJGBQNGQTD-UHFFFAOYSA-N
rxn:1:41711:32047,NCc1ccc(-c2cn(-c3ccc(I)cc3Br)nn2)cc1O,JONUEDGOJPTVMY-UHFFFAOYSA-N
rxn:1:41711:32048,N[C@H](CO)c1ccc(-c2cn(-c3ccc(I)cc3Br)nn2)cn1,RHHXNAXISVOOLJ-GFCCVEGCSA-N
rxn:1:41847:31445,Cc1cc(N)cc(-c2cn(CC=Cc3cscc3Br)nn2)c1,LQUUNSCISLSQTL-UHFFFAOYSA-N
rxn:1:41899:8798,NCc1cccc(-c2cn(-c3cccc(C#CCS)c3)nn2)c1,GVHCHODWEVNBDU-UHFFFAOYSA-N
rxn:1:41977:20489,Nc1ccncc1C#CCn1cc(-c2ncc(Br)cn2)nn1,ZUCNTVFOLGQXSH-UHFFFAOYSA-N
rxn:1:47710:23881,CCC(C)(C)Cc1cn(-c2nccc3c(I)c[nH]c23)nn1,JKHFYYJCKGUJNZ-UHFFFAOYSA-N
rxn:1:49388:12172,Cc1cc(C)c(-n2cc(C3(N)CCSC3)nn2)c(Br)c1,UDUFYLXHTKDJLA-UHFFFAOYSA-N
rxn:1:55820:39921,Cc1c(N)cc(F)cc1C1CC1Cn1cc(-c2ccc(I)nn2)nn1,SVQDDJMAKRJPFL-UHFFFAOYSA-N
rxn:1:55948:23913,CCCn1nc(C)c(-c2cn(CCI)nn2)c1C,PRXDFJHKOSZEOJ-UHFFFAOYSA-N
rxn:1:57007:31957,Cc1ccsc1CCCn1cc(-c2cnc(F)cc2N)nn1,YBVZMBBZKDIDLE-UHFFFAOYSA-N
rxn:1:57011:23650,CC(=O)c1ccnc(-c2cn(CCCc3cscc3Br)nn2)c1,OBRGDEJBZWJBRJ-UHFFFAOYSA-N
rxn:1:57014:32362,NC1(c2cn(CCCc3cc(Br)cs3)nn2)CC(F)C1,AVVWKEKDQCMSPN-UHFFFAOYSA-N
rxn:1:57037:39921,Cc1cnc(CCCn2cc(-c3ccc(I)nn3)nn2)s1,VZAPUKBYINXWLF-UHFFFAOYSA-N
rxn:1:57399:8557,Cc1cnc(CCCn2cc(-c3csc(Br)c3)nn2)c(N)c1,PHAJPDPEHPQQAO-UHFFFAOYSA-N
rxn:1:57801:1595,NCc1cc(F)ccc1CCCn1cc(-c2csc(Br)n2)nn1,VEVUPFFJQDTLOJ-UHFFFAOYSA-N
rxn:1:59847:6355,Cc1cc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)ncc1F,MIOPDRVBXPOPQF-IUODEOHRSA-N
rxn:1:61827:39557,CCNC(C)c1cn(-c2ccc(I)c(Br)c2)nn1,KRPAIHSDKCHOOH-UHFFFAOYSA-N
rxn:1:62178:39089,Brc1ccc(-c2cn(-c3ccc4c(c3)CNCC4)nn2)s1,YNLCCWLWXLNACW-UHFFFAOYSA-N
rxn:1:62327:2912,CC(CBr)Cn1cc(-c2ccc(C3(N)CCC3)cc2)nn1,PLTOPLQLDUTLTQ-UHFFFAOYSA-N
rxn:1:62688:13972,CNC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CC1,KTXWDOGNKGFHHT-UHFFFAOYSA-N
rxn:1:62688:28236,O=CCC1(CCc2cn(-c3cc(I)cc(I)c3I)nn2)N=N1,UTTPCJPTIFZNFS-UHFFFAOYSA-N
rxn:1:63510:31195,Fc1cc(Cl)ccc1-n1cc(-c2ccc3c(c2)CNC3)nn1,OWOBZIBKOZQECN-UHFFFAOYSA-N
rxn:1:64168:3262,Cc1cc(Br)ccc1-n1cc(-c2c(C)nn(C)c2Cl)nn1,HIAVMJYSYVPGCC-UHFFFAOYSA-N
rxn:1:65677:39709,Cc1cscc1C=CCn1cc(-c2cc(F)c(F)cc2N)nn1,VBQXOAHBDXPEPM-UHFFFAOYSA-N
rxn:1:41711:23199,NCCC(c1cn(-c2ccc(I)cc2Br)nn1)C1CC1,STVXJVIZDKQMMW-UHFFFAOYSA-N
rxn:1:41718:31509,OCc1cncc(-c2cn(-c3cc(Br)ccc3I)nn2)c1,CHMMGYDBAJVFDX-UHFFFAOYSA-N
rxn:1:41782:31927,Nc1ncncc1-c1cn(CC=Cc2cc(Br)c(Br)s2)nn1,QFJJSXVHNFPCPS-UHFFFAOYSA-N
rxn:1:41847:6998,CCc1ncnc(-c2cn(CC=Cc3cscc3Br)nn2)c1F,WCALEWPWQHMUSZ-UHFFFAOYSA-N
rxn:1:41916:37737,Cc1cc(C#CCn2cc(-c3c[nH]c4nc(Cl)ccc34)nn2)cs1,YMLRCOKDJNLIGN-UHFFFAOYSA-N
rxn:1:41918:23623,CC(c1cn(-c2ccc(Cl)cc2I)nn1)n1ccnc1,FKIYQFQPMPLYPF-UHFFFAOYSA-N
rxn:1:41919:31195,Cc1ccc(C#CCn2cc(-c3ccc4c(c3)CNC4)nn2)s1,NAEBFHRLUJNQFD-UHFFFAOYSA-N
rxn:1:41923:32686,Clc1ccc(Cl)c(-c2cn(CC#Cc3ccsc3Cl)nn2)n1,HEZZALBHMCOPAI-UHFFFAOYSA-N
rxn:1:41923:38195,Cc1cncc(-c2cn(CC#Cc3ccsc3Cl)nn2)c1,IHCAIOVROIGMJW-UHFFFAOYSA-N
rxn:1:42053:1060,Cc1n[nH]c(N)c1C#CCn1cc(-c2cc(Br)cs2)nn1,ZXQAZGYSANTLFW-UHFFFAOYSA-N
rxn:1:42187:1429,Cc1nc(Cl)ncc1C#CCn1cc(-c2cc(Br)c(C)s2)nn1,FMEAUVICHQNNBC-UHFFFAOYSA-N
rxn:1:43247:1148,Nc1c(F)cc([N+](=O)[O-])cc1C#CCn1cc(-c2cc(Cl)cs2)nn1,HLOSRAIDWIBFMG-UHFFFAOYSA-N
rxn:1:43671:7807,Nc1ccnc(Cl)c1C#CCn1cc(-c2cnc(Br)cn2)nn1,IKLRJVHYWMQVNH-UHFFFAOYSA-N
rxn:1:43799:3191,NCC(=O)c1ccc(-c2cn(CCC#Cc3ccsc3Cl)nn2)cc1,QKPSTUNUXJICAG-UHFFFAOYSA-N
rxn:1:49055:38547,CCC12CCC3C4CCC(=NO)C=C4CCC3C1CCC2(O)c1cn(Cc2nc(C(C)(C)N)no2)nn1,NPITYQZAKZXKMQ-UHFFFAOYSA-N
rxn:1:49433:14738,COc1cc(C)c(-c2cn(C3(CI)CNC3)nn2)cc1Cl,IBXPBPYSEICBQI-UHFFFAOYSA-N
rxn:1:51586:31384,Nc1n[nH]cc1-c1cn(CCC2CC2c2cscc2Br)nn1,JXUWVNIFJSMHKQ-UHFFFAOYSA-N
rxn:1:52141:39089,Nc1nc(Cl)ncc1C1CC1CCn1cc(-c2ccc(Br)s2)nn1,MQMHPMMCVPVNGU-UHFFFAOYSA-N
rxn:1:52588:39089,Brc1ccc(-c2cn(CCC3CC3c3cnc4nc[nH]c4c3)nn2)s1,JIPDQWLQPZRUKX-UHFFFAOYSA-N
rxn:1:55932:39089,N#Cc1cc(C2CC2Cn2cc(-c3ccc(Br)s3)nn2)cnc1N,SAXIOKSTXFQLMV-UHFFFAOYSA-N
rxn:1:55948:31433,CC(C)c1ccc(N)c(-c2cn(CCI)nn2)c1,UVROLZPCTLWPRA-UHFFFAOYSA-N
rxn:1:56360:1595,COc1cc(C2CC2Cn2cc(-c3csc(Br)n3)nn2)c(Cl)cc1N,GYNAAZFKCDUGMB-UHFFFAOYSA-N
rxn:1:57012:39018,Clc1ccc(CCCn2cc(-c3cc4cn[nH]c4cn3)nn2)s1,MGASEURSJDESER-UHFFFAOYSA-N
rxn:1:57017:38646,Nc1ccnc(-c2cn(CCCc3sccc3Br)nn2)c1,TZPZZFZXVNOJEV-UHFFFAOYSA-N
rxn:1:57939:565,COc1nc(CCCn2cc(-c3csc(Cl)c3)nn2)cnc1N,LFJSEOWAMVBSJA-UHFFFAOYSA-N
rxn:1:62688:2055,CC(C)(C)[C@H](N)c1cn(-c2cc(I)cc(I)c2I)nn1,HAJAGGAZRDUZCB-GFCCVEGCSA-N
rxn:1:62688:23234,Cn1nc(-c2cn(-c3cc(I)cc(I)c3I)nn2)c2c(N)ncnc21,FIZSSNOTUIBCMR-UHFFFAOYSA-N
rxn:1:64168:1853,Cc1cc(Br)ccc1-n1cc(-c2cnc(N)c(Br)c2)nn1,NKGKPYAROIVWLE-UHFFFAOYSA-N
rxn:1:65673:122,Cc1sccc1C=CCn1cc(-c2ncnc(Cl)c2N)nn1,ZPNDSNKTIIARED-UHFFFAOYSA-N
rxn:1:65678:122,Nc1c(Cl)ncnc1-c1cn(CC=Cc2ccsc2Cl)nn1,DYZDQMWCQHKOJV-UHFFFAOYSA-N
rxn:1:40750:2686,Cc1cc(-c2cn(C3(C)CCCCC3C)nn2)cnc1Cl,LUVHRWVRZBRPIN-UHFFFAOYSA-N
rxn:1:41745:2042,C[C@]1(c2cn(-c3ccc(Cl)c(Br)c3)nn2)CCCN1,NLXKVKWSAVQDRD-CYBMUJFWSA-N
rxn:1:41791:3191,NCC(=O)c1ccc(-c2cn(CC=Cc3cc(Br)cs3)nn2)cc1,JNSWQLCRMDBKKE-UHFFFAOYSA-N
rxn:1:41869:31195,Fc1ccc(-n2cc(-c3ccc4c(c3)CNC4)nn2)cc1Br,FHQHKBHVQVUQAY-UHFFFAOYSA-N
rxn:1:41923:31811,CC(N)c1ccc(-c2cn(CC#Cc3ccsc3Cl)nn2)cc1Cl,GXIPQKVKZOAGSX-UHFFFAOYSA-N
rxn:1:42029:380,Cc1ccc(-n2cc(-c3c[nH]nc3CO)nn2)cc1I,MGFAEPFHYNUHMA-UHFFFAOYSA-N
rxn:1:42307:340,Fc1cc(C#CCn2cc(Cc3cccs3)nn2)cnc1Cl,NDJJZVNMNNHEHV-UHFFFAOYSA-N
rxn:1:44567:8557,COc1nc(C#CCCn2cc(-c3csc(Br)c3)nn2)cnc1N,NJFIXWZSGZREMR-UHFFFAOYSA-N
rxn:1:45310:1890,CSc1nccc(-c2cn(-c3cccc(C#CCCN)c3)nn2)n1,LSBGTRGMZAKMJE-UHFFFAOYSA-N
rxn:1:45631:1060,Cc1cc(C=CCCn2cc(-c3cc(Br)cs3)nn2)cnc1N,IPLBZBVSGOZYHS-UHFFFAOYSA-N
rxn:1:46041:39292,CSCc1cn(CCC=Cc2c(N)cc(F)cc2F)nn1,MMTGPDNDUOXXDH-UHFFFAOYSA-N
rxn:1:54965:13972,CNC1(c2cn(CC3CC3c3sccc3Br)nn2)CC1,XIPORHAJXFTMJE-UHFFFAOYSA-N
rxn:1:55016:31454,Cc1cc(C2CC2Cn2cc(-c3cnc(Cl)nc3N)nn2)sc1Br,SASCDUDLVSXGIM-UHFFFAOYSA-N
rxn:1:55334:8557,Cc1cc(C2CC2Cn2cc(-c3csc(Br)c3)nn2)cnc1N,ANCNPDRFOVWKOF-UHFFFAOYSA-N
rxn:1:55521:8557,Nc1cc(C2CC2Cn2cc(-c3csc(Br)c3)nn2)cnc1N,RFBXCNWFTRKYBV-UHFFFAOYSA-N
rxn:1:57047:31580,N#Cc1cnc(N)c(-c2cn(CCCc3cc(Br)c(Br)s3)nn2)c1Cl,XOPZBRPXVWYTPN-UHFFFAOYSA-N
rxn:1:57548:1429,Cc1sc(-c2cn(CCCc3cnc(Cl)nc3N)nn2)cc1Br,VOGZXKZZVOGHAT-UHFFFAOYSA-N
rxn:1:57939:1155,COc1nc(CCCn2cc(-c3cc(Br)c(Br)s3)nn2)cnc1N,IADDBMBIKNGQJC-UHFFFAOYSA-N
rxn:1:58690:28139,Nc1ncc(-c2cn(CCCCc3cc(Br)cs3)nn2)c(N)n1,DNISHMANRYLVFK-UHFFFAOYSA-N
rxn:1:58717:31454,Nc1nc(Cl)ncc1-c1cn(CCCCc2nc(Br)cs2)nn1,YTQUQMKFEOHOHM-UHFFFAOYSA-N
rxn:1:59856:31663,C[C@@H]1CNC[C@H]1n1cc(COc2c(I)cc(I)cc2C=O)nn1,KMVUVDMDMHZWDL-YMTOWFKASA-N
rxn:1:59985:28359,COc1ncc(-c2cn([C@@H]3CC[C@H]3I)nn2)cc1Br,BSRBQPZOCDYNDJ-MWLCHTKSSA-N
rxn:1:61827:39373,CC(N)Cc1cn(-c2ccc(I)c(Br)c2)nn1,NQFSFOWGSSOOGR-UHFFFAOYSA-N
rxn:1:62688:1853,Nc1ncc(-c2cn(-c3cc(I)cc(I)c3I)nn2)cc1Br,KIRGUNGXWMCGEY-UHFFFAOYSA-N
rxn:1:62688:39454,Ic1cc(I)c(I)c(-n2cc(CC3CCNC3)nn2)c1,WDKAXKAWYPJSAE-UHFFFAOYSA-N
rxn:1:64168:3915,Cc1cc(Br)ccc1-n1cc(-c2cnc(O)c(F)c2)nn1,AQEZTFURXHEVEO-UHFFFAOYSA-N
rxn:1:64802:23538,C=CCC(CC)n1cc(-c2oc3c(I)cncc3c2N)nn1,WZIAXRXGSLDVNJ-UHFFFAOYSA-N
rxn:1:65223:23539,Nc1c(-c2cn(Cc3ccc(Cl)c(Cl)c3)nn2)oc2nccnc12,ZTQFXLGFYWIWTJ-UHFFFAOYSA-N
rxn:3:41072:31345:128458,Cc1ccc(-c2cn(CC=Cc3c(F)cc(C(=O)N[C@H]4CC[C@@H](C)OC4)cc3F)nn2)nc1F,ZUUUWKSNVPEKRS-WBVHZDCISA-N
rxn:1:39929:31526,Cc1n[nH]c(N)c1C=CCn1cc(-c2cc(I)cc(I)c2)nn1,LZIZOGBUHSASEP-UHFFFAOYSA-N
rxn:1:40062:39089,Nc1cc(Cl)ncc1C=CCn1cc(-c2ccc(Br)s2)nn1,BWFJUICZMNPXCC-UHFFFAOYSA-N
rxn:1:41711:28393,NCC(CC1CC1)c1cn(-c2ccc(I)cc2Br)nn1,HMSZHZIAHPLMPW-UHFFFAOYSA-N
rxn:1:41788:20555,Cc1csc(C=CCn2cc(-c3cnc(Cl)c(I)c3N)nn2)c1,BFFCXRGLKDOTED-UHFFFAOYSA-N
rxn:1:42029:11848,Cc1ccc(-n2cc(C3CCC(N)CC3)nn2)cc1I,LGNIZJDIYRLQIL-UHFFFAOYSA-N
rxn:1:42149:31489,CC(N)Cn1cc(-c2cc(Cl)ccc2I)nn1,VJYROPBFZRWWGX-UHFFFAOYSA-N
rxn:1:43683:28139,Nc1ncc(-c2cn(CC#Cc3cc(Cl)ncc3Br)nn2)c(N)n1,USZJCXGZXRAHRV-UHFFFAOYSA-N
rxn:1:43730:30483,CCn1cc(-c2cn(-c3ccc(Br)cc3I)nn2)c(C)n1,OXMLZRRWJOMLDT-UHFFFAOYSA-N
rxn:1:43730:578,Cc1cnc(-c2cn(-c3ccc(Br)cc3I)nn2)c(N)c1,DBSDCQXUCWYLDT-UHFFFAOYSA-N
rxn:1:50619:39921,CC[Si](CC)(CC)n1cc(-c2ccc(I)nn2)nn1,YRTDTJQXTAISGQ-UHFFFAOYSA-N
rxn:1:52145:565,Nc1nc(Cl)cnc1C1CC1CCn1cc(-c2csc(Cl)c2)nn1,HPFYKLGSWXUEBY-UHFFFAOYSA-N
rxn:1:55344:35342,Cc1cnc(N)c(C2CC2Cn2cc(-c3ccc(Cl)s3)nn2)c1,JRAWZXUNNNTOQY-UHFFFAOYSA-N
rxn:1:55516:357,Cc1ccc(-c2cn(CC3CC3c3c(N)ncnc3Cl)nn2)s1,ISCHWOMTMYSIHD-UHFFFAOYSA-N
rxn:1:55744:1595,Cc1cc(N)c(N)cc1C1CC1Cn1cc(-c2csc(Br)n2)nn1,MDZUDWCJOBYBLD-UHFFFAOYSA-N
rxn:1:55932:565,N#Cc1cc(C2CC2Cn2cc(-c3csc(Cl)c3)nn2)cnc1N,LOPMIRXEQVKULK-UHFFFAOYSA-N
rxn:1:57020:8718,Cc1cc(-c2cn(CCCc3occc3Br)nn2)cnc1N,FAPDVAOXOJFWMF-UHFFFAOYSA-N
rxn:1:57043:31227,NCc1ccc(-c2cn(CCCc3csc(Br)n3)nn2)cc1Cl,IQCGXWHUTJMRRB-UHFFFAOYSA-N
rxn:1:57047:31528,COc1nccc(N)c1-c1cn(CCCc2cc(Br)c(Br)s2)nn1,FBWZGBPYCRSKAV-UHFFFAOYSA-N
rxn:1:57384:8557,Cc1cnc(N)c(CCCn2cc(-c3csc(Br)c3)nn2)c1,TYPWBVRNPNDRFA-UHFFFAOYSA-N
rxn:1:57399:565,Cc1cnc(CCCn2cc(-c3csc(Cl)c3)nn2)c(N)c1,XZMYGOZLVGQGLZ-UHFFFAOYSA-N
rxn:1:57548:565,Nc1nc(Cl)ncc1CCCn1cc(-c2csc(Cl)c2)nn1,IXVCWEKYYVMKQI-UHFFFAOYSA-N
rxn:1:57939:31918,COc1nc(CCCn2cc(-c3ccsc3Cl)nn2)cnc1N,JKSDNOKUNOJYCD-UHFFFAOYSA-N
rxn:1:57939:37883,COc1nc(CCCn2cc(-c3cc(Cl)sc3Cl)nn2)cnc1N,IIJYQYJHYKSIKF-UHFFFAOYSA-N
rxn:1:58686:31224,Cc1nc(-c2cn(CCCCc3ccsc3Cl)nn2)ccc1N,IYONDJBVOZEQBJ-UHFFFAOYSA-N
rxn:1:58686:38726,Nc1nc(Cl)cnc1-c1cn(CCCCc2ccsc2Cl)nn1,OGYHHUUUKSHOBA-UHFFFAOYSA-N
rxn:1:59985:31452,Cc1cc(CO)ccc1-c1cn([C@@H]2CC[C@H]2I)nn1,IINBPNZDIHXRKX-TZMCWYRMSA-N
rxn:1:59985:394,Cc1cc2nccn2cc1-c1cn([C@@H]2CC[C@H]2I)nn1,AYODSACHYQGIRR-DGCLKSJQSA-N
rxn:1:61587:27889,Oc1cc(-c2cn(C(CBr)C3CCCC3)nn2)ncc1Cl,WHWJWCDWOLTAJD-UHFFFAOYSA-N
rxn:1:62327:27893,Cc1nc2ccc(-c3cn(CC(C)CBr)nn3)cc2s1,ITSDKZKMIOTAGS-UHFFFAOYSA-N
rxn:1:62588:5934,Cc1ccc(OCc2cn(C3CCCC3I)nn2)c(Cl)n1,UIHFMTPZVAZRKY-UHFFFAOYSA-N
rxn:1:64168:1405,Cc1cc(Br)ccc1-n1cc(C2(O)CC(C)(C)CC2C)nn1,PWKQQJOVWJKOTA-UHFFFAOYSA-N
rxn:1:65661:31941,Nc1cc(Cl)c(F)cc1-c1cn(CC=Cc2ccsc2)nn1,QOFJWPKJQRKVIE-UHFFFAOYSA-N
rxn:1:41487:2992,Cc1ccc(-n2cc(-c3ccc(C(N)CO)cc3)nn2)c(Br)c1,FDNWKGAKEWHDTB-UHFFFAOYSA-N
rxn:1:41624:31333,Cc1cc(N)cnc1-c1cn(-c2ccc(Br)cc2Br)nn1,OCSWIIKFCGNIPT-UHFFFAOYSA-N
rxn:1:41711:12202,CCN1C[C@@H](O)[C@@H](c2cn(-c3ccc(I)cc3Br)nn2)C1,WNYMVQUWHPCPKY-QMTHXVAHSA-N
rxn:1:41876:882,Cc1cc(Cl)ccc1-c1cn(-c2cccc(C=CCN)c2)nn1,KKYFJWJOPRRPHT-UHFFFAOYSA-N
rxn:1:41924:170,Cc1c(N)ccc(-c2cn(CC#Cc3ccc(Cl)s3)nn2)c1C,ZGELGRKBGXYKAD-UHFFFAOYSA-N
rxn:1:41924:23584,Nc1c(-c2cn(CC#Cc3ccc(Cl)s3)nn2)oc2ncc(Cl)cc12,NTYIQZUDAIPWGP-UHFFFAOYSA-N
rxn:1:42324:1674,Oc1ncc(C#CCn2cc(-c3ccc(I)o3)nn2)cc1Cl,RPIQUMSKLHXECY-UHFFFAOYSA-N
rxn:1:44413:7772,Clc1ncccc1-n1cc(-c2c[nH]c3cc(Br)ccc23)nn1,CPNOEQSYNVLHLO-UHFFFAOYSA-N
rxn:1:49433:14021,Fc1cc(-c2cn(C3(CI)CNC3)nn2)ccc1OCC(F)(F)F,PGNMEZKVPGYZRC-UHFFFAOYSA-N
rxn:1:55897:35342,O=Cc1cc(C2CC2Cn2cc(-c3ccc(Cl)s3)nn2)ncc1F,GXTRYQAHZUUFKY-UHFFFAOYSA-N
rxn:1:55948:20186,Cc1ccccc1C(=O)Nc1ccc(-c2cn(CCI)nn2)cc1,SFRLEXURGHYWSL-UHFFFAOYSA-N
rxn:1:55948:2784,O=CC=Cc1cccc(-c2cn(CCI)nn2)c1,OQHSXVIRAOIHMC-UHFFFAOYSA-N
rxn:1:57020:3803,Cc1cc(-c2cn(CCCc3occc3Br)nn2)ccc1N,QKHYOUUBALXRAO-UHFFFAOYSA-N
rxn:1:57399:1155,Cc1cnc(CCCn2cc(-c3cc(Br)c(Br)s3)nn2)c(N)c1,LTHYWEGBBXSEOK-UHFFFAOYSA-N
rxn:1:58686:31420,Nc1ccc(-c2cn(CCCCc3ccsc3Cl)nn2)cc1O,CGNBABGKBAXGFE-UHFFFAOYSA-N
rxn:1:58687:1853,Nc1ncc(-c2cn(CCCCc3cscc3Br)nn2)cc1Br,IWKZCUWHEPJSPL-UHFFFAOYSA-N
rxn:1:59574:31197,Oc1cnc(-c2cn(-c3cccc(CCCCBr)c3)nn2)nc1,RXOLNIJKBXKMRU-UHFFFAOYSA-N
rxn:1:59725:412,CSc1ccc(-n2cc(-c3cnc(C)cc3C)nn2)cc1,XVDVGCIXVSSLKX-UHFFFAOYSA-N
rxn:1:59847:2199,Cc1ccc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)nn1,OYBDVGSLNJGWEL-BXUZGUMPSA-N
rxn:1:59847:32277,Cc1cnc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)cc1F,CQRDWQCEPXVYAF-IUODEOHRSA-N
rxn:1:61827:24200,CC(c1cn(-c2ccc(I)c(Br)c2)nn1)N1CCC1,ICKJXZXHILQJQG-UHFFFAOYSA-N
rxn:1:65654:3733,Cc1ncc(N)cc1-c1cn(-c2cccc(C=CCS)c2)nn1,SQZFZTSKANJKKJ-UHFFFAOYSA-N
rxn:1:65673:37717,Cc1sccc1C=CCn1cc(-c2cnc3[nH]nc(C)c3c2)nn1,QYZNTYZPNGEQPU-UHFFFAOYSA-N
rxn:2:100318:173095,CC(Nc1cn[nH]c(=O)n1)c1ccc2sc3ccccc3c2c1,WLGYWJXAZWVYIY-UHFFFAOYSA-N
rxn:2:93644:170858,Cc1csc(-c2ccc(C(C)Nc3cn[nH]n3)cc2C)c1,NCHVBRSANABCRA-UHFFFAOYSA-N
rxn:2:96388:97346,C(#Cc1nccs1)CCNC1CCC(c2ccsc2)CC1,DECZMZOGXDNDCH-UHFFFAOYSA-N
rxn:2:113171:85686,CC(NCCCc1cnn[nH]1)c1csc(-c2cccs2)c1,CNMIZRXGDIZPPH-UHFFFAOYSA-N
rxn:1:65438:723,[Na]c1cn(Cc2ccc(I)c(Cl)c2)nn1,TZUQWHYCJDLXQX-UHFFFAOYSA-N
rxn:2:148726:154368,COCCn1cc(-c2ccccc2C(C)Nc2cn(-c3c(C)cc(C)cc3C)nc2C(C)C)cn1,HOUJBUMNJSHNQU-UHFFFAOYSA-N
rxn:1:50513:723,[Na]c1cn(CCCCCI)nn1,QZYNNXVLOIHQHO-UHFFFAOYSA-N
rxn:2:87202:170892,CC(NCCc1cn[nH]c1)c1ccc(-c2cc3sccc3s2)s1,HCAKESNJIJUZAT-UHFFFAOYSA-N
rxn:1:41876:1674,NCC=Cc1cccc(-n2cc(-c3ccc(I)o3)nn2)c1,ULJLSMNDPOTBRH-UHFFFAOYSA-N
rxn:2:141397:149066,CNC(Cn1ccnc1)c1ccc2ccccc2c1,DHGCKDHZEHIZMG-UHFFFAOYSA-N
rxn:2:141397:143660,CNC(C)c1cc2c(ccc3ccccc32)o1,XOOPKAXXINEAIE-UHFFFAOYSA-N
rxn:2:141397:170668,CNC(C)c1csc(-c2ccc(-c3ccco3)cc2)c1,MSWMAXIXFPUONT-UHFFFAOYSA-N
rxn:2:78417:142183,CCCC[C@@H](NCC=N)c1ccc2ccccc2c1,ZKQADNQPKODWEJ-QGZVFWFLSA-N
rxn:2:119168:130974,CC(NC1CC(COc2cnccn2)C1)c1ccc(-c2ccsc2)s1,KPOIAXQYSYSGLQ-UHFFFAOYSA-N
rxn:2:114506:159185,C=C=CC(Nc1cc(=O)[nH][nH]1)c1ccc2ccccc2c1,MXRDHDRKPUTNMQ-UHFFFAOYSA-N
rxn:2:76322:111147,CC(NC1CCN(c2cnsn2)CC1)c1ccc(-c2nccs2)cc1,BFZPJKOKBQJSKU-UHFFFAOYSA-N
rxn:2:124847:142183,Cc1cc2ccc(NCC=N)cc2s1,ZCVBMPFYCDBZKS-UHFFFAOYSA-N
rxn:2:110352:158208,CCNC(COc1ccc(C)cc1C)c1ccn(C)c1,CSQBUIKTUQWFTH-UHFFFAOYSA-N
rxn:2:68618:96010,CC(NCC#Cc1ccc(-c2c[nH]cn2)cc1)c1ccc(-c2ccsc2)cc1,KYBCGIBQTDUDBA-UHFFFAOYSA-N
rxn:2:97024:109025,Cc1csc(-c2cc(C(C)NCCC#Cc3cscn3)cs2)c1,GOCSZRZUAUSKDA-UHFFFAOYSA-N
rxn:2:169813:142183,CCCC(NCC=N)c1ccc2c(c1)-c1ccccc1C2,MVUIHKLIVIKCRG-UHFFFAOYSA-N
rxn:2:141397:167658,CNC(C)Oc1ccc(-c2ccc(C(C)=O)s2)cc1,OLIPSTJTLADRJX-UHFFFAOYSA-N
rxn:1:65677:31376,CNCCc1ccc(-c2cn(CC=Cc3cscc3C)nn2)c(Cl)c1,MHDWFOANUCJUKJ-UHFFFAOYSA-N
rxn:2:97063:108959,CC(NCCSc1cnn[nH]1)c1ccc(-c2cccs2)cc1,BSBOYDVWAKQWKQ-UHFFFAOYSA-N
rxn:2:90345:164467,CCC(N[C@H]1COC[C@@H](OC)C1)c1ccc2oc(=O)c(=O)n(OC(C)C)c2c1,PLOHOKCXWCRADY-YSPPHNQVSA-N
rxn:2:167592:107408,CC(NCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2ccsc2)s1,FQEMSORLDNWFCK-UHFFFAOYSA-N
rxn:1:60111:4439,CNC(Cc1cn(I)nn1)C1CCCCC1,UECGLGCVQMRCBG-UHFFFAOYSA-N
rxn:2:155325:142183,Cc1cccc2c(C(Cc3ccco3)NCC=N)c[nH]c12,KNVUFSMNPJWWBR-UHFFFAOYSA-N
rxn:2:110352:154103,CCNC(c1cc[nH]c1)c1ccc2ccccc2c1,FRAHJGLNEOGCTH-UHFFFAOYSA-N
rxn:2:93898:142183,CCCC[C@H](NCC=N)c1ccc2ccccc2c1,ZKQADNQPKODWEJ-KRWDZBQOSA-N
rxn:2:124693:85686,CC(CNC(C)c1csc(-c2cccs2)c1)c1nnn[nH]1,ODAZXRXGUYRFRN-UHFFFAOYSA-N
rxn:2:123503:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCC(C)S(=O)(=O)F,CWTFQXDENGJTEY-UHFFFAOYSA-N
rxn:2:85122:126659,Cc1ccc2sc(C(C)NCCc3c[nH]nn3)cc2c1,SBODRZZTEKGIKF-UHFFFAOYSA-N
rxn:2:79586:142183,Cc1ccc(C#CCNCC=N)c(C)c1,KKZRXNPJWSVWMM-UHFFFAOYSA-N
rxn:2:93838:142183,Cc1ccc2sc(NCC=N)cc2c1,QFQDLTSCVWDLQP-UHFFFAOYSA-N
rxn:2:150747:108959,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cccs2)cc1,GZSNCHYDOXQVDL-UHFFFAOYSA-N
rxn:2:141397:169295,CNC(Cc1ccc(-c2cccs2)cc1)c1cccnc1,URHFITDHZFNKCI-UHFFFAOYSA-N
rxn:2:73289:142183,CCCCC(NCC=N)c1ccc2ccccc2c1,ZKQADNQPKODWEJ-UHFFFAOYSA-N
rxn:2:110352:71708,CCNC(Cc1cc(C)ccc1C)CC1CC1,GFRSGCSQUZBOSI-UHFFFAOYSA-N
rxn:1:65513:28754,C[C@H](N)c1cn(-c2ccc(I)cc2)nn1,DYPBCGVBWFFTEL-ZETCQYMHSA-N
rxn:2:76625:96010,CC(NCCC#Cc1cnc[nH]1)c1ccc(-c2ccsc2)cc1,AVIUDRRQIGZCBP-UHFFFAOYSA-N
rxn:2:130209:96010,CC(NCCC#Cc1cnccn1)c1ccc(-c2ccsc2)cc1,PAUXVWULRAILMW-UHFFFAOYSA-N
rxn:2:97648:142183,CCCC[C@@H](NCC=N)c1csc2ccccc12,VDEJEBKOLNQATM-CQSZACIVSA-N
rxn:2:101439:96010,COc1cnc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)nc1,XSVQDJIYDLEOLX-UHFFFAOYSA-N
rxn:2:150747:96010,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccsc2)cc1,IYTHQEDSSTVCBI-UHFFFAOYSA-N
rxn:2:97063:170892,CC(NCCSc1cnn[nH]1)c1ccc(-c2cc3sccc3s2)s1,BSQZHIMUZTUVBI-UHFFFAOYSA-N
rxn:2:95432:170892,CC(NCCc1ccc[nH]1)c1ccc(-c2cc3sccc3s2)s1,XEODCDOYWFYSCN-UHFFFAOYSA-N
rxn:1:41905:31376,CNCCc1ccc(-c2cn(CC#Cc3cccs3)nn2)c(Cl)c1,APBFUBMSVVRCHJ-UHFFFAOYSA-N
rxn:1:60111:24341,CNC1CC1c1ccc(-c2cn(I)nn2)cc1,ZNBYPCUYAHLWJK-UHFFFAOYSA-N
rxn:2:134689:108959,CC(NCCCC1CCN(C)CC1)c1ccc(-c2cccs2)cc1,WSFVRWKXGIRAMQ-UHFFFAOYSA-N
rxn:2:162468:84426,CC(C)C(Nc1cc(C2CC2)nc2cc(C3CC3)nn12)c1ccc(C2CC2)o1,ICRCBWAOMCBASO-UHFFFAOYSA-N
rxn:2:152434:96010,CC(NCC#Cc1ccc2[nH]c(=O)oc(=O)c2c1)c1ccc(-c2ccsc2)cc1,QZZKZIDYZMPYLT-UHFFFAOYSA-N
rxn:2:114506:78077,CCC(Nc1cc(=O)[nH][nH]1)c1ccc(-c2cscc2C)s1,MCSWVYITLNABRQ-UHFFFAOYSA-N
rxn:2:73857:142183,Cc1ccc2sc(CNCC=N)cc2c1,VHNTVIKBKXLILH-UHFFFAOYSA-N
rxn:2:141544:170892,CC(NCCSc1ncn[nH]1)c1ccc(-c2cc3sccc3s2)s1,NAOBNHHRQPKZDC-UHFFFAOYSA-N
rxn:2:150747:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)cc2)s1,UEZFPPCPOXBAQR-UHFFFAOYSA-N
rxn:2:73728:154103,c1ccc2cc(C(NC3CC3)c3cc[nH]c3)ccc2c1,NKDOTFDJESHLIK-UHFFFAOYSA-N
rxn:2:92382:73940,CSCC(Nc1cn[nH]c1)c1ccc(C)c(C)c1,PHUAENZAQGGTEN-UHFFFAOYSA-N
rxn:2:97024:97346,C(#Cc1cscn1)CCNC1CCC(c2ccsc2)CC1,AXCJZCVESVXJEN-UHFFFAOYSA-N
rxn:1:45225:38380,ClCc1cn(CCC#Cc2cc(Cl)ccc2Br)nn1,GLBGKIRWMFBEGM-UHFFFAOYSA-N
rxn:2:150747:141988,Cc1cc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)s2)cs1,HGFDPROHUMLOOW-UHFFFAOYSA-N
rxn:2:116191:76255,Cc1cc(C#CCCNC(C)c2ccc(-c3c[nH]cn3)cc2)cs1,LBHPMAUCMSGPFE-UHFFFAOYSA-N
rxn:2:141397:90175,CNC(C)c1cc2ccccc2o1,JLKRQCDKFNFEIQ-UHFFFAOYSA-N
rxn:2:122923:170892,CC(NCCCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cc3sccc3s2)s1,XCBLKEZVANWOSY-UHFFFAOYSA-N
rxn:2:141397:170235,CNC(C)c1cc2cc(-c3cccc(C)c3)ccc2o1,UMZYXWOWFHNJFN-UHFFFAOYSA-N
rxn:2:72890:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3c[nH]cn3)cc2)cs1,ITWAKFJDOMQQNP-UHFFFAOYSA-N
rxn:2:134689:123403,Cc1ccc2cc(C(C)NCCCC3CCN(C)CC3)sc2c1,HVDAMZYXORIPEZ-UHFFFAOYSA-N
rxn:2:166241:96010,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(-c2ccsc2)cc1,VJWOCQQXSWQAHD-UHFFFAOYSA-N
rxn:1:65513:3819,C[C@@H](N)c1cn(-c2ccc(I)cc2)nn1,DYPBCGVBWFFTEL-SSDOTTSWSA-N
rxn:2:123884:70192,Cc1ccc(OCCC(C)NCc2ccsn2)c(C)c1,QYCKBUHSISCXOV-UHFFFAOYSA-N
rxn:2:144636:170892,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cc3sccc3s2)s1,ZUDPCAVONIMQBP-UHFFFAOYSA-N
rxn:2:100451:142183,Cc1ccc(C#CCNCC=N)s1,HFLNXHSVVMBDBL-UHFFFAOYSA-N
rxn:2:130225:120822,Cc1ccc(-c2ccc(C(C)NCCc3cnco3)cc2)s1,VTHXVUISDJZAKS-UHFFFAOYSA-N
rxn:2:77560:100719,CCC(Nc1cnoc1)c1ccc2ccccc2c1,OEETUVFLJBADDZ-UHFFFAOYSA-N
rxn:2:169887:142183,N=CCN[C@H](CC1CC1)c1ccc2c(c1)Cc1ccccc1-2,RORHRGCVSVDBSB-HXUWFJFHSA-N
rxn:2:141397:143882,CNC1COc2cc3ccccc3cc21,SSNGZVLPRIWFBS-UHFFFAOYSA-N
rxn:2:137534:173095,CC(NCCc1nnco1)c1ccc2sc3ccccc3c2c1,YLVSBUYCFVCHNE-UHFFFAOYSA-N
rxn:2:92565:170892,CC(NCCc1ccns1)c1ccc(-c2cc3sccc3s2)s1,CQKODFMPOWTEHK-UHFFFAOYSA-N
rxn:2:141397:76633,CNC(C)CCc1cc(C)c(C)cc1C,CHJNNTFPXSREOM-UHFFFAOYSA-N
rxn:1:65013:3819,C[C@@H](N)c1cn(-c2cccc(I)c2)nn1,PXNGEGLAFGKCTJ-SSDOTTSWSA-N
rxn:1:65013:5553,CC(N)c1cn(-c2cccc(I)c2)nn1,PXNGEGLAFGKCTJ-UHFFFAOYSA-N
rxn:2:127791:142183,CCCC(Cc1ccccc1C)NCC=N,WUHFZXMIELKTBC-UHFFFAOYSA-N
rxn:1:60111:2025,CN1CCC(c2cn(I)nn2)C1,GZNUKJZIPDWWPW-UHFFFAOYSA-N
rxn:2:167592:96010,CC(NCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2ccsc2)cc1,OXEWBIPYOZBLDS-UHFFFAOYSA-N
rxn:2:95448:142183,CCCC[C@H](NCC=N)c1csc2ccccc12,VDEJEBKOLNQATM-AWEZNQCLSA-N
rxn:2:66029:142183,N=CCNOCc1csc2ccccc12,FASCSCMNCSSPSZ-UHFFFAOYSA-N
rxn:2:77440:88103,COCC(Nc1cnon1)c1cc2ccccc2s1,IXBRGEPXPBLAKP-UHFFFAOYSA-N
rxn:2:75557:78538,Cc1ccsc1-c1ccc(C(C)NCCCc2nnn[nH]2)cc1,ILEYCXRHJFVDGV-UHFFFAOYSA-N
rxn:2:141397:111053,CNC(C)c1ccc2ccccc2c1,VRPIUODNLOVPNH-UHFFFAOYSA-N
rxn:2:95086:142183,N=CCNCCc1csc2ccccc12,HHMBBRKRBOQVIQ-UHFFFAOYSA-N
rxn:2:94771:78538,Cc1ccsc1-c1ccc(C(C)Nn2cnnc2)cc1,VFXVIFRDPVEQDU-UHFFFAOYSA-N
rxn:2:84871:123403,Cc1ccc2cc(C(C)NCCC3CC3c3cnccn3)sc2c1,BWSOUQXEMJKKRH-UHFFFAOYSA-N
rxn:1:43730:39124,CNCc1cn(-c2ccc(Br)cc2I)nn1,KPENZASVAWEATD-UHFFFAOYSA-N
rxn:2:77560:161575,CC(Nc1cnoc1)c1ccc2cccc3c2c1CC3,RGEHTMWKWZBNFU-UHFFFAOYSA-N
rxn:2:75321:142183,N=CCNc1ccc(-c2cccs2)s1,WZGAGJJGHYGEMG-UHFFFAOYSA-N
rxn:2:77560:169594,CC(Nc1cnoc1)c1ccc2c(ccc3ccccc32)c1,XRWYPQRZBHYACE-UHFFFAOYSA-N
rxn:2:150747:170892,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cc3sccc3s2)s1,BCPFYGILXMMNAR-UHFFFAOYSA-N
rxn:2:141397:166867,CNC1CCN2c3ccccc3Sc3cccc1c32,BSKJJLFRYMEVIQ-UHFFFAOYSA-N
rxn:2:167169:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ccc3[nH]c(=O)sc3c2)cc1,NJPFLFBHQHKQHN-UHFFFAOYSA-N
rxn:2:141397:166167,CNC1CCc2c(ccc3ccccc23)C1,BPZXDMOAHLQUMS-UHFFFAOYSA-N
rxn:2:86297:170060,Cc1cc(-c2ccc(CCC(C)NCc3cnsn3)cc2)cs1,MLQDPLFSVHTHGB-UHFFFAOYSA-N
rxn:2:142622:108959,CC(NCCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cccs2)cc1,URZFWQPRFMWXGA-UHFFFAOYSA-N
rxn:2:85769:142183,CCCC(Cc1cccc(C)c1)NCC=N,BZBUIWDQKATGKQ-UHFFFAOYSA-N
rxn:2:141397:152898,CNC1CCc2cc3ccccc3cc2C1,QQCKILXSLZOWLN-UHFFFAOYSA-N
rxn:2:73951:169856,CC(Nc1cn[nH]c(=O)c1)c1cccc2c1sc1ccccc12,LKWWLDFAJXXOPO-UHFFFAOYSA-N
rxn:2:166241:108959,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(-c2cccs2)cc1,AWHYTCRTRZNAJU-UHFFFAOYSA-N
rxn:2:125962:70831,C[C@@H](NC1CCC(CCOS(C)(=O)=O)C1)c1ccc(-c2cccs2)cc1,RWAGJFCVOJVUBW-MDCZIUGASA-N
rxn:2:110097:70192,Cc1ccc(OCCC(C)Nc2ncn[nH]2)c(C)c1,UIHUIMSNKNUQDV-UHFFFAOYSA-N
rxn:2:97063:78538,Cc1ccsc1-c1ccc(C(C)NCCSc2cnn[nH]2)cc1,SUAZKVWJKYPFRV-UHFFFAOYSA-N
rxn:2:156072:114519,Cc1sccc1-c1ccc(C(C)NCC#Cc2ccc3[nH]c(=O)oc3c2)cc1,CALVYUDKFUILNE-UHFFFAOYSA-N
rxn:1:65438:38380,ClCc1cn(Cc2ccc(I)c(Cl)c2)nn1,CZCNWYXSDKYILT-UHFFFAOYSA-N
rxn:2:141397:86454,CNC1CCN(c2ccc(C)cc2C)C1,LHPFAWSICHXGLU-UHFFFAOYSA-N
rxn:2:141397:92027,CNC(C)c1csc(-c2ccco2)c1,QWCAGIVYBOTFMH-UHFFFAOYSA-N
rxn:2:128039:142183,CC(C)CCC(NCC=N)c1ccc2c(c1)CCCC2,PCQWQEDUBWCYPP-UHFFFAOYSA-N
rxn:2:141397:87151,CNC1CC(c2cccc(C)c2C)C1,HICBDBADWWGQIL-UHFFFAOYSA-N
rxn:2:141397:117186,CNC(C)c1ccc2sccc2c1,GPAAJQZKUJXUKF-UHFFFAOYSA-N
rxn:1:60111:3265,CNC(C)Cc1cn(I)nn1,DMHURQDENVEONC-UHFFFAOYSA-N
rxn:2:110352:153417,CCNC(Cc1ccc2ccccc2c1)c1cccnc1,NGVWCRQWTZSNCW-UHFFFAOYSA-N
rxn:2:141397:170061,CNC1CCC(c2ccc(-c3ccccc3)cc2)CC1,ODPAKDDOQBCQQC-UHFFFAOYSA-N
rxn:2:172455:142183,CCC[C@H](NCC=N)c1ccc2c(c1)Cc1ccccc1-2,ALYTZYHJDMTXJQ-IBGZPJMESA-N
rxn:2:97543:173095,CC(NCCc1nnn[nH]1)c1ccc2sc3ccccc3c2c1,QUUISQQWFSANRM-UHFFFAOYSA-N
rxn:1:41918:28754,C[C@H](N)c1cn(-c2ccc(Cl)cc2I)nn1,MPJUZNYTXBSTBY-LURJTMIESA-N
rxn:2:141397:169115,CNC1CCC(c2ccc(-c3ccc(C)s3)cc2)CC1,BLESTLDMXXBGTB-UHFFFAOYSA-N
rxn:1:60111:31376,CNCCc1ccc(-c2cn(I)nn2)c(Cl)c1,FVJASGOTERKSGI-UHFFFAOYSA-N
rxn:2:97543:141195,CCC(NCCc1nnn[nH]1)c1ccc(-c2sccc2C)cc1,MQMPWELMTGRWKK-UHFFFAOYSA-N
rxn:2:126873:91563,C=C=CCCNC(C)c1ccc(-c2ccco2)cc1C,IZFJUFGNBXHZLH-UHFFFAOYSA-N
rxn:2:141397:148809,CNC(Cc1ccc(-c2cnn(C)c2)cc1)c1ccccc1,PYFODLOEEKQCBM-UHFFFAOYSA-N
rxn:2:167169:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)cc2)s1,QDCJCPNKTCDULR-UHFFFAOYSA-N
rxn:2:141397:170548,CNC(C)c1cccc2cc3ccccc3cc12,UIHHHADUYJHIFW-UHFFFAOYSA-N
rxn:2:119168:90938,CC(NC1CC(COc2cccnn2)C1)c1ccc(-c2ccsc2)s1,PWLMXCFKUQINNN-UHFFFAOYSA-N
rxn:2:117731:111053,CC(NCCc1ncn[nH]1)c1ccc2ccccc2c1,DLULCAIPTQMCLF-UHFFFAOYSA-N
rxn:2:97900:94292,CCC(Nc1n[nH]c2[nH]ncc12)c1ccc(-c2sccc2C)s1,AZEKJTIPVXRYFU-UHFFFAOYSA-N
rxn:2:139357:173095,CC(Nc1nnco1)c1ccc2sc3ccccc3c2c1,YUCVNDMDAGGGNU-UHFFFAOYSA-N
rxn:2:94862:108959,CC(NCc1cc(=O)[nH][nH]1)c1ccc(-c2cccs2)cc1,NKVNOVRVKUDLFX-UHFFFAOYSA-N
rxn:1:60111:5742,CCC(Oc1cccc(I)c1)c1cn(I)nn1,HPZXOQIWSFZJDE-UHFFFAOYSA-N
rxn:2:142622:109025,Cc1csc(-c2cc(C(C)NCCC#Cc3ccc4[nH]c(=O)sc4c3)cs2)c1,VJMHQMUOYCNUPH-UHFFFAOYSA-N
rxn:2:141397:169821,CNC(C)c1ccc2cc3ccccc3cc2c1,UEBVYUANYQUFAN-UHFFFAOYSA-N
rxn:2:95795:96010,Cc1cnc(CCCNC(C)c2ccc(-c3ccsc3)cc2)cn1,WBHNNAMWJPRVTH-UHFFFAOYSA-N
rxn:2:150747:127220,Cc1ccc(-c2cc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)cs2)s1,WYRABUZRHBZLIC-UHFFFAOYSA-N
rxn:2:76625:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCC#Cc1cnc[nH]1,JVYFSUAZLZWYEO-UHFFFAOYSA-N
rxn:2:74972:169412,Cc1csc(-c2ccc(CCC(C)NCc3nnn[nH]3)cc2)c1,GLXYKPJPCAQAHF-UHFFFAOYSA-N
rxn:2:103685:122855,CC(NCCSc1ncccn1)c1ccc(-c2cccs2)s1,LLRLOHHBXVDZDK-UHFFFAOYSA-N
rxn:2:99080:96010,CCn1cc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)cn1,FLXZOXKMXCSYJL-UHFFFAOYSA-N
rxn:2:120356:108959,Cc1nc(C#CCCNC(C)c2ccc(-c3cccs3)cc2)c[nH]1,XCMMFEVETQVWDA-UHFFFAOYSA-N
rxn:2:116191:102373,Cc1cc(C#CCCNC2CC(c3ccc(C)s3)C2)cs1,PNVCMWQTUSQXMW-UHFFFAOYSA-N
rxn:2:167169:91563,Cc1cc(-c2ccco2)ccc1C(C)NCC#Cc1ccc2[nH]c(=O)sc2c1,DAMXHARLDQPVHM-UHFFFAOYSA-N
rxn:1:60111:23614,NC(Cc1ccc(Cl)cc1)c1cn(I)nn1,QFMSJLIXUBTMIW-UHFFFAOYSA-N
rxn:2:141397:167914,CNC1CCc2ccc3ccccc3c2C1,KHWSZOFIVUAVOF-UHFFFAOYSA-N
rxn:2:96101:142183,N=CCNC1(c2ccc3sccc3c2)CC1,OYVJXHMEYWZYGD-UHFFFAOYSA-N
rxn:2:107531:78538,Cc1ccsc1-c1ccc(C(C)NCc2nn[nH]n2)cc1,OWAVZCSYLSGDIE-UHFFFAOYSA-N
rxn:2:117731:126659,Cc1ccc2sc(C(C)NCCc3ncn[nH]3)cc2c1,CSYFFCFMOBPEKM-UHFFFAOYSA-N
rxn:2:131974:96010,CC(NCCCc1cnccn1)c1ccc(-c2ccsc2)cc1,OSVLWPQQLNKHFA-UHFFFAOYSA-N
rxn:2:92382:159185,C=C=CC(Nc1cn[nH]c1)c1ccc2ccccc2c1,ZYIVXWNQBAKPRD-UHFFFAOYSA-N
rxn:2:139105:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCC#Cc1ncc[nH]1,FSCYMDIJMDOCIE-UHFFFAOYSA-N
rxn:2:141397:170745,CCC(NC)c1cccc(-c2ccc(C)cc2)c1,FMSBLLGONJWPHO-UHFFFAOYSA-N
rxn:2:97900:108959,CC(Nc1n[nH]c2[nH]ncc12)c1ccc(-c2cccs2)cc1,GPGDOIKQVAMKAJ-UHFFFAOYSA-N
rxn:1:57043:31376,CNCCc1ccc(-c2cn(CCCc3csc(Br)n3)nn2)c(Cl)c1,ZSQOKPRTAQSYCQ-UHFFFAOYSA-N
rxn:1:43730:11753,NCC(O)c1cn(-c2ccc(Br)cc2I)nn1,TXDWARPHBXJOJP-UHFFFAOYSA-N
rxn:2:87086:142183,N=CCNCC#Cc1ccc2ccsc2c1,IZSWZWWAQYKKHG-UHFFFAOYSA-N
rxn:2:141397:143698,CNC1CC(c2ccc3ccccc3c2)C1,ISJVIGNANDWMMJ-UHFFFAOYSA-N
rxn:2:138457:108959,CC(NCC#Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2cccs2)cc1,DXJFVAGFDGGVSX-UHFFFAOYSA-N
rxn:2:97900:78077,CCC(Nc1n[nH]c2[nH]ncc12)c1ccc(-c2cscc2C)s1,OLDFVVBBVJIURA-UHFFFAOYSA-N
rxn:2:76322:120181,CC(NC1CCN(c2cnsn2)CC1)c1ccc(-c2ccsn2)cc1,QWURWKAATOYIGE-UHFFFAOYSA-N
rxn:2:108186:170892,CC(NCCCCc1cnc2nc[nH]c2c1)c1ccc(-c2cc3sccc3s2)s1,QIXYCOMKPKOHLJ-UHFFFAOYSA-N
rxn:2:92749:91315,CCC(CCc1ccc(C)c(C)c1)Nc1nnn[nH]1,GJINDIZJMBWQPP-UHFFFAOYSA-N
rxn:2:141397:156549,CCC(NC)c1ccc2cc(C)ccc2c1,GEZUWRQRMKPHDR-UHFFFAOYSA-N
rxn:2:76009:108959,COc1cc(C#CCNC(C)c2ccc(-c3cccs3)cc2)ncn1,FWMRDQXYGLNECE-UHFFFAOYSA-N
rxn:2:97543:78538,Cc1ccsc1-c1ccc(C(C)NCCc2nnn[nH]2)cc1,NITTYIXUWFVHSK-UHFFFAOYSA-N
rxn:2:97543:127220,Cc1ccc(-c2cc(C(C)NCCc3nnn[nH]3)cs2)s1,XULKSFWLZKQAOG-UHFFFAOYSA-N
rxn:2:141397:160624,CNC1CCc2cc(-c3cc(OC)cs3)ccc2C1,FOZQCIVYSNCQJW-UHFFFAOYSA-N
rxn:2:74139:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCCc1csnn1,UKWKZGNLDNBXDS-UHFFFAOYSA-N
rxn:2:95795:108959,Cc1cnc(CCCNC(C)c2ccc(-c3cccs3)cc2)cn1,JWZHMBAAYKWFHR-UHFFFAOYSA-N
rxn:2:150747:68807,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ccc3[nH]c(=O)[nH]c3c2)s1,XVPSQDWZDIDRHJ-UHFFFAOYSA-N
rxn:2:109913:170892,CC(NCC#Cc1nnc[nH]1)c1ccc(-c2cc3sccc3s2)s1,KPHQIEPUSWTTOH-UHFFFAOYSA-N
rxn:2:122351:169400,CCC(Nc1c[nH]nn1)c1ccc(-c2ccc(C)s2)cc1C,NYAKPPGQBFOFAW-UHFFFAOYSA-N
rxn:2:98374:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3[nH]cnc3C)cc2)cs1,LWPRVIQWTALKCT-UHFFFAOYSA-N
rxn:2:87127:173095,CC(NCc1nnc[nH]1)c1ccc2sc3ccccc3c2c1,NFMVVRSCXKAFID-UHFFFAOYSA-N
rxn:2:85757:102373,Cc1cc(C#CCCNC2CC(c3ccc(C)s3)C2)ccn1,CJLGIGYCQYHCDT-UHFFFAOYSA-N
rxn:2:116191:77135,Cc1cc(C#CCCNC(C)c2ccc(-c3cn[nH]c3)cc2)cs1,MMZKNFAOSBVFEF-UHFFFAOYSA-N
rxn:2:141397:170482,CNC(C)c1ccc(-c2cc3cc(C)ccc3s2)s1,ZXHFMOAYKUTTPY-UHFFFAOYSA-N
rxn:2:141397:97710,CNC1CC[C@H](c2ccc(C)cc2)C1,FPIDUOSAWDLWFV-UEWDXFNNSA-N
rxn:2:167592:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3cnc4[nH]c(=O)oc4c3)cc2)s1,VQACVXKNAJQMTO-UHFFFAOYSA-N
rxn:2:114213:173095,CC(Nc1c[nH][nH]c1=O)c1ccc2sc3ccccc3c2c1,WACLPIBUZWJMJZ-UHFFFAOYSA-N
rxn:1:45221:661,N#Cc1cn(CCC#Cc2ccc(Br)cc2Cl)nn1,LUVCZIDTQRCWHR-UHFFFAOYSA-N
rxn:2:77560:169197,CC(Nc1cnoc1)c1cccc2c1ccc1ccccc12,AJTMVWPZPXQERI-UHFFFAOYSA-N
rxn:2:124198:129753,CC(NCCC#Cc1ccsc1)c1ccc(-c2cnn(C)c2)cc1,DVHNUSLEMGWEFH-UHFFFAOYSA-N
rxn:2:141397:120822,CNC(C)c1ccc(-c2ccc(C)s2)cc1,UMAZOBCMAVDKNT-UHFFFAOYSA-N
rxn:1:60111:5749,CCC(Oc1cccc(Cl)c1)c1cn(I)nn1,GLBSIOVLMMDVPB-UHFFFAOYSA-N
rxn:2:158617:142183,N=CCNc1cccc2c1Cc1ccccc1-2,QZJMSWVBHVDWFS-UHFFFAOYSA-N
rxn:2:112728:170892,CC(NCCc1cc[nH]n1)c1ccc(-c2cc3sccc3s2)s1,NHOMUOKYIUNFHC-UHFFFAOYSA-N
rxn:2:144681:96010,CC(NCCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2ccsc2)cc1,MHNRPNFYHLATAM-UHFFFAOYSA-N
rxn:2:141397:161103,CNC(C)c1ccc2c(c1)Cc1ccccc1-2,CJSIJQRZUIMAML-UHFFFAOYSA-N
rxn:2:75557:172618,CC(NCCCc1nnn[nH]1)c1cc(-c2cc3sccc3s2)cs1,LCZWKNREFHPHSS-UHFFFAOYSA-N
rxn:1:61827:8770,NCc1cn(-c2ccc(I)c(Br)c2)nn1,DFECPVYZFFXHFY-UHFFFAOYSA-N
rxn:2:112350:108959,CC(NCCC#Cc1cnn(C)c1)c1ccc(-c2cccs2)cc1,GQUJSGWIWIMRSC-UHFFFAOYSA-N
rxn:2:141397:172904,CNC1COc2cc(-c3ccc(-c4cccs4)s3)ccc21,VNLJUINPGPTLEK-UHFFFAOYSA-N
rxn:2:87876:102373,Cc1ccc(C2CC(NCCC#Cc3cccs3)C2)s1,LVGYEMIYFSAOMB-UHFFFAOYSA-N
rxn:1:59288:24341,CNC1CC1c1ccc(-c2cn(CCCCc3ccc4ccsc4c3)nn2)cc1,AAYBRGODMJOVCX-UHFFFAOYSA-N
rxn:2:165559:108959,CC(NCC#Cc1ccc2nc[nH]c(=O)c2c1)c1ccc(-c2cccs2)cc1,CNPOQKIVCJHQHX-UHFFFAOYSA-N
rxn:2:129767:96010,CC(NCCOC1CCC(N(C)C)CC1)c1ccc(-c2ccsc2)cc1,GNWMDRHPBRTUQI-UHFFFAOYSA-N
rxn:2:134916:158208,C=C=CCNC(COc1ccc(C)cc1C)c1ccn(C)c1,NVNIMPRCAKXKQC-UHFFFAOYSA-N
rxn:1:60111:13907,NCCOc1ccc(-c2cn(I)nn2)cc1,RPEASCGMULXXRZ-UHFFFAOYSA-N
rxn:1:65445:23431,CC(F)(F)COc1cc(Br)cc(-c2cn(CC3CC(=O)N(c4nc(C(=O)O)cs4)C3)nn2)c1,ARYZAJIBSSLUPP-UHFFFAOYSA-N
rxn:2:132373:172618,CC(NCC#Cc1c[nH]cn1)c1cc(-c2cc3sccc3s2)cs1,VHHVQKJMTDTMMQ-UHFFFAOYSA-N
rxn:2:158858:141988,Cc1cc(-c2ccc(C(C)NCC3CC3c3ccc4[nH]c(=O)oc4c3)s2)cs1,FFMLFWHEYAEYLA-UHFFFAOYSA-N
rxn:2:167592:114519,Cc1sccc1-c1ccc(C(C)NCC#Cc2cnc3[nH]c(=O)oc3c2)cc1,OXRMYPGAIKFYQF-UHFFFAOYSA-N
rxn:2:141397:169857,CNC(CCc1ccc(C)cc1C)c1ccccc1,GBTIRDHJPMERSI-UHFFFAOYSA-N
rxn:2:91717:169856,CC(Nc1[nH]ncc1N=O)c1cccc2c1sc1ccccc12,DICQAUVLCCTBQZ-UHFFFAOYSA-N
rxn:2:79366:142183,CCC[C@H](NCC=N)c1ccc2ccccc2c1,LJKWIISFLZXXLR-INIZCTEOSA-N
rxn:2:66959:169412,CSCC[C@H](NC(C)CCc1ccc(-c2cc(C)cs2)cc1)c1nn[nH]n1,LJENOBQVYHUYNP-PKHIMPSTSA-N
rxn:2:110352:127550,CCNC(Cc1cc(C)cc(C)c1)c1ccco1,LVCJVWLHXWGCSL-UHFFFAOYSA-N
rxn:2:152434:108959,CC(NCC#Cc1ccc2[nH]c(=O)oc(=O)c2c1)c1ccc(-c2cccs2)cc1,CNSGOZXIYYAETN-UHFFFAOYSA-N
rxn:2:141397:169039,CNC(Cc1ccc(-c2cccs2)cc1)c1ccccc1,PWIJSCLKBBGSAY-UHFFFAOYSA-N
rxn:2:162493:109025,Cc1csc(-c2cc(C(C)NCC#Cc3ccc4c(=O)[nH]cnc4c3)cs2)c1,CHUUGCQCUCZYDW-UHFFFAOYSA-N
rxn:2:92382:94292,CCC(Nc1cn[nH]c1)c1ccc(-c2sccc2C)s1,PRLLRSZLTBWSCN-UHFFFAOYSA-N
rxn:2:67778:78538,Cc1ccsc1-c1ccc(C(C)NCCC#Cc2cncnc2)cc1,YFOZLZIENNSMET-UHFFFAOYSA-N
rxn:2:97063:172618,CC(NCCSc1cnn[nH]1)c1cc(-c2cc3sccc3s2)cs1,AUAASRZMTVGNCQ-UHFFFAOYSA-N
rxn:2:77560:70192,Cc1ccc(OCCC(C)Nc2cnoc2)c(C)c1,QSDAFSPQITWDFD-UHFFFAOYSA-N
rxn:2:144681:109025,Cc1csc(-c2cc(C(C)NCCC#Cc3ccc4[nH]c(=O)oc4c3)cs2)c1,WGRMCVRZGZTFHQ-UHFFFAOYSA-N
rxn:2:160037:142183,N=CCNC(c1cn[nH]c1)c1csc2ccccc12,ADPGYRSQBCBNSH-UHFFFAOYSA-N
rxn:2:137534:78538,Cc1ccsc1-c1ccc(C(C)NCCc2nnco2)cc1,HHGBYKVBUAYYJP-UHFFFAOYSA-N
rxn:2:122351:88396,Cc1ccc(C(CN2CCCC2)Nc2c[nH]nn2)c(C)c1,KGYBZCONDSFARB-UHFFFAOYSA-N
rxn:2:83170:96010,CC(NCCCc1ccncn1)c1ccc(-c2ccsc2)cc1,OJTSGVCZTMLTSR-UHFFFAOYSA-N
rxn:2:127778:112875,Cc1cncc(C#CCCNC2CC(C#Cc3cccs3)C2)c1,WYHXSORLYGBMCL-UHFFFAOYSA-N
rxn:2:78535:108959,CC(NCC#Cc1cnc2cn[nH]c2c1)c1ccc(-c2cccs2)cc1,DYCUYPWMBCOOHZ-UHFFFAOYSA-N
rxn:2:88848:114519,Cc1sccc1-c1ccc(C(C)NCCC#Cc2ncccn2)cc1,URNJXWDOEBRPEC-UHFFFAOYSA-N
rxn:2:141397:135410,CCCCC(Cc1ccc(C)c(C)c1)NC,MNLREYSGZRJERT-UHFFFAOYSA-N
rxn:2:141397:169155,CNC(Cc1ccc(-c2ccncc2)cc1)c1ccccc1,OEHHBUWIFPTHPK-UHFFFAOYSA-N
rxn:2:131506:170892,CC(NCCc1ccno1)c1ccc(-c2cc3sccc3s2)s1,IFLLILIATYGGSS-UHFFFAOYSA-N
rxn:2:114506:141195,CCC(Nc1cc(=O)[nH][nH]1)c1ccc(-c2sccc2C)cc1,ZBAOUYJSOYRGHB-UHFFFAOYSA-N
rxn:2:141497:82123,CCC(NCc1cnon1)C(C)Cc1ccc(C)cc1C,WQOQDIPCBXWQJX-UHFFFAOYSA-N
rxn:1:60111:5590,CC(C)(Oc1ccc(I)cc1)c1cn(I)nn1,AANNTWBDNVRNIK-UHFFFAOYSA-N
rxn:2:138457:96010,CC(NCC#Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2ccsc2)cc1,TVMDDFUQFUTKJD-UHFFFAOYSA-N
rxn:2:81174:142183,Cc1ccc(C)c(CC(CC2CC2)NCC=N)c1,ZECCCJBXQXOPED-UHFFFAOYSA-N
rxn:2:97543:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCc1nnn[nH]1,MRAYBTVQHHUPTA-UHFFFAOYSA-N
rxn:2:97900:96010,CC(Nc1n[nH]c2[nH]ncc12)c1ccc(-c2ccsc2)cc1,GTCAGHHUMUEEQB-UHFFFAOYSA-N
rxn:2:69457:172618,CC(NCCc1cc(=O)[nH][nH]1)c1cc(-c2cc3sccc3s2)cs1,QRJXTHOCJCJOLJ-UHFFFAOYSA-N
rxn:2:80519:108959,CC(NCCCc1c[nH]c(=S)[nH]1)c1ccc(-c2cccs2)cc1,ZSGPHVCWFBCULP-UHFFFAOYSA-N
rxn:2:91717:173095,CC(Nc1[nH]ncc1N=O)c1ccc2sc3ccccc3c2c1,OAVFSIKKTLDWDR-UHFFFAOYSA-N
rxn:2:132373:170892,CC(NCC#Cc1c[nH]cn1)c1ccc(-c2cc3sccc3s2)s1,WPEXDDDXJMKUHF-UHFFFAOYSA-N
rxn:2:104210:142183,N=CCNOCc1ccc2ccccc2c1,YMBIWLJFHCOWEY-UHFFFAOYSA-N
rxn:2:106758:70831,C[C@H](NC1CCC(CCOS(C)(=O)=O)C1)c1ccc(-c2cccs2)cc1,RWAGJFCVOJVUBW-LYGPFTKASA-N
rxn:2:141397:88957,CCCC(CN1CCc2ccccc21)NC,DOSHHIXOZNPQNS-UHFFFAOYSA-N
rxn:2:68525:112875,COCc1cc(C#CCNC2CC(C#Cc3cccs3)C2)cs1,YNQYLJTUUPYXOM-UHFFFAOYSA-N
rxn:1:60111:38555,CNCCc1cn(I)nn1,DDOHAOHNYISWLE-UHFFFAOYSA-N
rxn:2:109067:142183,Cc1ccc2c(c1)CCCN2CC(C)NCC=N,MPNCUVSKUTUGFS-UHFFFAOYSA-N
rxn:2:141397:170026,CCCC(NC)c1ccc(-c2cc3cc(C)ccc3s2)cc1,ZFFUMLDFNZFNOO-UHFFFAOYSA-N
rxn:2:171029:142183,CCC[C@H](NCC=N)c1ccc2cc3ccccc3cc2c1,DSICZEAWGVRASC-FQEVSTJZSA-N
rxn:2:68410:120822,Cc1ccc(-c2ccc(C(C)NCCCn3nccn3)cc2)s1,FLGVFXVCXQKADM-UHFFFAOYSA-N
rxn:2:97543:120822,Cc1ccc(-c2ccc(C(C)NCCc3nnn[nH]3)cc2)s1,ADKFUBDJFKGUAY-UHFFFAOYSA-N
rxn:2:119168:69876,CC(NC1CC(COc2ncccn2)C1)c1ccc(-c2ccsc2)s1,BUOMUGUHXQSJDO-UHFFFAOYSA-N
rxn:2:132373:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3c[nH]cn3)cc2)s1,OAVNXJQHKRCRNX-UHFFFAOYSA-N
rxn:2:122923:96010,CC(NCCCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccsc2)cc1,BTHRDORBSLJNSM-UHFFFAOYSA-N
rxn:2:76009:96010,COc1cc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)ncn1,LBDRCEYLDQXTSZ-UHFFFAOYSA-N
rxn:2:85122:120822,Cc1ccc(-c2ccc(C(C)NCCc3c[nH]nn3)cc2)s1,CKROADVYOQLSTF-UHFFFAOYSA-N
rxn:1:65013:31609,CNC[C@H](C)c1ccc(-c2cn(-c3cccc(I)c3)nn2)cc1,AJBRFOIBTGXQFC-ZDUSSCGKSA-N
rxn:2:139105:108959,CC(NCCC#Cc1ncc[nH]1)c1ccc(-c2cccs2)cc1,AVZKQAXCZZSOFV-UHFFFAOYSA-N
rxn:2:134689:96010,CC(NCCCC1CCN(C)CC1)c1ccc(-c2ccsc2)cc1,LHVLPSOCGFFMIF-UHFFFAOYSA-N
rxn:2:94771:169197,CC(Nn1cnnc1)c1cccc2c1ccc1ccccc12,SAHJIMHAUCHFST-UHFFFAOYSA-N
rxn:2:141544:108959,CC(NCCSc1ncn[nH]1)c1ccc(-c2cccs2)cc1,ZDNXCUYAEUSMOT-UHFFFAOYSA-N
rxn:2:135125:96010,COc1ncc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)cn1,NIQLHZGFUOASFE-UHFFFAOYSA-N
rxn:2:92382:173095,CC(Nc1cn[nH]c1)c1ccc2sc3ccccc3c2c1,SRUJCFWWLOJEDV-UHFFFAOYSA-N
rxn:1:60111:23613,NC(Cc1ccc(Cl)c(Cl)c1)c1cn(I)nn1,DMVIFJVSKBLKOZ-UHFFFAOYSA-N
rxn:2:114506:94292,CCC(Nc1cc(=O)[nH][nH]1)c1ccc(-c2sccc2C)s1,NRAIHWOITLARRD-UHFFFAOYSA-N
rxn:2:150747:125117,Cc1ccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)cc2)o1,DTRDLIWMQGWZTO-UHFFFAOYSA-N
rxn:2:110352:134317,CCNC(CCC(C)C)Cc1cccc(C)c1,INEVFMFALPJNAR-UHFFFAOYSA-N
rxn:2:131871:142183,Cc1ccc2cc(NCC=N)sc2c1,MAJSHMRSLAESPU-UHFFFAOYSA-N
rxn:2:127778:102373,Cc1cncc(C#CCCNC2CC(c3ccc(C)s3)C2)c1,CQKXAUVQVLKPMQ-UHFFFAOYSA-N
rxn:2:141397:158208,CNC(COc1ccc(C)cc1C)c1ccn(C)c1,LVUIUKNDFGUQLA-UHFFFAOYSA-N
rxn:2:137136:107408,COc1ncc(C#CCCNC(C)c2ccc(-c3ccsc3)s2)cn1,ZSUDJKGONKWGTE-UHFFFAOYSA-N
rxn:2:101355:96010,CC(NCC#Cc1cnc2cc[nH]c2c1)c1ccc(-c2ccsc2)cc1,QBGIWDLDFOOSOX-UHFFFAOYSA-N
rxn:2:92749:146828,CSCC(Nc1nnn[nH]1)c1ccc2cc(C)ccc2c1,JRYAHJFVOJJZLZ-UHFFFAOYSA-N
rxn:2:167592:85686,CC(NCC#Cc1cnc2[nH]c(=O)oc2c1)c1csc(-c2cccs2)c1,UEHJPNATHXTOOV-UHFFFAOYSA-N
rxn:2:141397:150239,CNC(COc1ccccc1C)c1c[nH]c2ccccc12,WVXVTAMAFIHUOT-UHFFFAOYSA-N
rxn:1:60111:5741,CCC(Oc1ccccc1I)c1cn(I)nn1,KXYYURUISXMWTJ-UHFFFAOYSA-N
rxn:2:139218:96010,CC(NCC#Cc1cnn(-c2cnccn2)c1)c1ccc(-c2ccsc2)cc1,FQDDVPXCPGZMMX-UHFFFAOYSA-N
rxn:2:78535:96010,CC(NCC#Cc1cnc2cn[nH]c2c1)c1ccc(-c2ccsc2)cc1,ARRAGZYBQJOAQN-UHFFFAOYSA-N
rxn:2:169202:142183,CC[C@@H](NCC=N)c1ccc2cc3ccccc3cc2c1,GPCXAUIKOCDZAS-LJQANCHMSA-N
rxn:2:70378:108959,CC(NCCCCc1cc[nH]c1)c1ccc(-c2cccs2)cc1,AUNRLHJISCIQAP-UHFFFAOYSA-N
rxn:1:65438:31214,Clc1cc(Cn2cc(CBr)nn2)ccc1I,YOVKAAKPCWHWJF-UHFFFAOYSA-N
rxn:2:110352:111125,CCNC(CCc1ccc(C)cc1C)C1CCCC1,ORWRGNZVMTZYMP-UHFFFAOYSA-N
rxn:2:111468:96010,CC(NCCC#Cc1cnc2cn[nH]c2c1)c1ccc(-c2ccsc2)cc1,QGDQQJCKGZYINM-UHFFFAOYSA-N
rxn:2:146036:170892,CC(NCC1CC1c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cc3sccc3s2)s1,DCWHPFYSKYDLFB-UHFFFAOYSA-N
rxn:2:68618:105101,CC(NCC#Cc1ccc(-c2c[nH]cn2)cc1)c1ccc(-c2ccc[nH]2)cc1,NQHOZXSDZNVMJW-UHFFFAOYSA-N
rxn:2:114506:146828,CSCC(Nc1cc(=O)[nH][nH]1)c1ccc2cc(C)ccc2c1,XWWYCOYRVSMMHL-UHFFFAOYSA-N
rxn:2:131003:85686,CC(NC1Cc2cn[nH]c2C1)c1csc(-c2cccs2)c1,KRDCPEZNQSEPPE-UHFFFAOYSA-N
rxn:2:141397:87593,CNC(CC1CCCC1)c1ccc(OC)c(C)c1C,RKADTYVJJXKBNN-UHFFFAOYSA-N
rxn:2:74393:169340,CC(NCc1ncno1)c1ccc(-c2cc3ccccc3s2)s1,DLCQROYMZAENSM-UHFFFAOYSA-N
rxn:2:85122:172618,CC(NCCc1c[nH]nn1)c1cc(-c2cc3sccc3s2)cs1,QOCWOZSOCQYHOI-UHFFFAOYSA-N
rxn:2:141397:152446,CNC(C)c1ccc(C#Cc2ccccc2)cc1,DUUPNKBHVVNDJE-UHFFFAOYSA-N
rxn:2:93644:173095,CC(Nc1cn[nH]n1)c1ccc2sc3ccccc3c2c1,HSBCDEVFQBPXEN-UHFFFAOYSA-N
rxn:2:165559:96010,CC(NCC#Cc1ccc2nc[nH]c(=O)c2c1)c1ccc(-c2ccsc2)cc1,VIDBMKMKZPTOFE-UHFFFAOYSA-N
rxn:2:166244:120181,Cc1nc2cc(C#CCNC(C)c3ccc(-c4ccsn4)cc3)ccc2[nH]1,NXJQGOZTACHTFO-UHFFFAOYSA-N
rxn:2:98645:142183,N=CCNCC#Cc1cccc2sccc12,PTOGJZSZCTZAJO-UHFFFAOYSA-N
rxn:2:141397:118208,CNC(CCc1cccc(C)c1)Cc1cccs1,DEQGFVHMCZVBCY-UHFFFAOYSA-N
rxn:2:156072:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)oc4c3)cc2)s1,RLPXXZJUMCSQKR-UHFFFAOYSA-N
rxn:2:68618:111147,CC(NCC#Cc1ccc(-c2c[nH]cn2)cc1)c1ccc(-c2nccs2)cc1,HCPTXKQLRCLLKI-UHFFFAOYSA-N
rxn:2:94771:161575,CC(Nn1cnnc1)c1ccc2cccc3c2c1CC3,WMUYDRHRXHHFCA-UHFFFAOYSA-N
rxn:2:99601:170892,CC(NCCCc1cnn(C)n1)c1ccc(-c2cc3sccc3s2)s1,IOMKAESAZATYQW-UHFFFAOYSA-N
rxn:2:150732:170892,CC(NCCCc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2cc3sccc3s2)s1,KCMAKTWCEGANPO-UHFFFAOYSA-N
rxn:2:67140:107408,CC(NCCCc1cnc(N(C)C)nc1)c1ccc(-c2ccsc2)s1,HAFZUCMAFBGELC-UHFFFAOYSA-N
rxn:2:112350:96010,CC(NCCC#Cc1cnn(C)c1)c1ccc(-c2ccsc2)cc1,WWPUONBWWRYUOK-UHFFFAOYSA-N
rxn:2:132002:108959,CC(NC1CC(C2CCN(C)CC2)C1)c1ccc(-c2cccs2)cc1,SAJAOPYIPPEWPN-UHFFFAOYSA-N
rxn:2:162493:69998,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2ccoc2)cc1,GEZQONLKKSTCOL-UHFFFAOYSA-N
rxn:2:97543:88359,CCC(NCCc1nnn[nH]1)c1ccc(-c2cscc2C)cc1,HMOFGEKPCRWZBA-UHFFFAOYSA-N
rxn:2:117485:169412,Cc1csc(-c2ccc(CCC(C)NC3(c4nn[nH]n4)CCCC3)cc2)c1,JGSNGCFETXURAN-UHFFFAOYSA-N
rxn:2:80519:78538,Cc1ccsc1-c1ccc(C(C)NCCCc2c[nH]c(=S)[nH]2)cc1,QEEVBWFIEWJPHU-UHFFFAOYSA-N
rxn:2:112728:172618,CC(NCCc1cc[nH]n1)c1cc(-c2cc3sccc3s2)cs1,GUPSDEHPOZBYQD-UHFFFAOYSA-N
rxn:2:144681:108959,CC(NCCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2cccs2)cc1,HVEFOXSUMNCOLC-UHFFFAOYSA-N
rxn:2:93211:67686,CCCC(C)CNC(CN1CC1)c1cccc(OC)c1,IFLVZLWTKKQIDP-UHFFFAOYSA-N
rxn:2:89902:130974,CC(NC1CC(COc2cnccn2)C1)c1ccc(-c2cccs2)s1,BGVSJUZMMCXEHV-UHFFFAOYSA-N
rxn:2:143107:170892,CC(NCCCCc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2cc3sccc3s2)s1,KKNHZYQWVQNWFB-UHFFFAOYSA-N
rxn:2:137922:170892,CCOc1ncc(C#CCNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,ARKSGHCLXRFUKI-UHFFFAOYSA-N
rxn:1:60111:5755,CCC(Oc1cccc(Br)c1)c1cn(I)nn1,YFIYOBCAFAHVQK-UHFFFAOYSA-N
rxn:2:118218:141988,Cc1cc(-c2ccc(C(C)NCCCc3cnc4cc[nH]c4c3)s2)cs1,WHOHYQIGPPQWTK-UHFFFAOYSA-N
rxn:2:148173:142183,N=CCNc1ccc2c(c1)Oc1ccccc1S2,ZIFFCWUUNHFDAJ-UHFFFAOYSA-N
rxn:2:111913:96010,COCc1cc(C#CCCNC(C)c2ccc(-c3ccsc3)cc2)cs1,CMRLSNZBFLMMMO-UHFFFAOYSA-N
rxn:2:77202:127220,Cc1ccc(-c2cc(C(C)NCCCc3cn[nH]c3)cs2)s1,IEUCWLLLXGATLZ-UHFFFAOYSA-N
rxn:2:117485:170060,Cc1cc(-c2ccc(CCC(C)NC3(c4nn[nH]n4)CCCC3)cc2)cs1,BZJLWPCCJSFDKO-UHFFFAOYSA-N
rxn:2:70378:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3cc[nH]c3)cc2)cs1,PNNAQBIYQJVAFR-UHFFFAOYSA-N
rxn:2:79984:173095,CC(Nc1ccnnc1)c1ccc2sc3ccccc3c2c1,HBBKWVJFCDVLMP-UHFFFAOYSA-N
rxn:2:97543:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCc1nnn[nH]1,UTOSRJDNYSIMQN-UHFFFAOYSA-N
rxn:2:110352:117327,CCNC(CCc1cc(C)ccc1C)C1CCCC1,GKQNBGMZNBUDJN-UHFFFAOYSA-N
rxn:2:169054:142183,CC[C@H](NCC=N)c1ccc2cc3ccccc3cc2c1,GPCXAUIKOCDZAS-IBGZPJMESA-N
rxn:2:94771:78104,CSCC(Nn1cnnc1)c1ccc(C)cc1C,UWGANLYDJRHULH-UHFFFAOYSA-N
rxn:2:104748:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCc1c[nH]cn1,CKFFPCBUIVLNMK-UHFFFAOYSA-N
rxn:2:101141:120822,Cc1ccc(-c2ccc(C(C)N[C@H](C)c3ccn[nH]3)cc2)s1,ZGCZFZKENFSXMX-ARLHGKGLSA-N
rxn:2:70440:170060,COc1ncc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)cn1,DLPBVJKLLKEPMK-UHFFFAOYSA-N
rxn:2:160401:112875,O=c1[nH]c2ncc(C#CCCNC3CC(C#Cc4cccs4)C3)cc2o1,PURSXSHURFQQTK-UHFFFAOYSA-N
rxn:2:80704:142183,CC(C)CC[C@@H](NCC=N)c1ccc2ccccc2c1,HLEAJCXJTFLVIY-GOSISDBHSA-N
rxn:2:164315:172233,CCC(NCCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(-c2ccc(OC3CC3)cc2)cc1,GOFWKADOHXZCHK-UHFFFAOYSA-N
rxn:1:57290:723,Fc1ccc(CCCn2cc([Na])nn2)cc1Br,LSEKWIYBEXRNFV-UHFFFAOYSA-N
rxn:2:141397:93647,CCCC(NC)c1ccc2ccccc2c1,YUAHKUGZGTWLOU-UHFFFAOYSA-N
rxn:2:162493:123403,Cc1ccc2cc(C(C)NCC#Cc3ccc4c(=O)[nH]cnc4c3)sc2c1,IYJOWFNZCRQJFE-UHFFFAOYSA-N
rxn:2:121251:67686,COc1cccc(C(CN2CC2)NCC2CC2C)c1,QCFSNEZZKGYJPO-UHFFFAOYSA-N
rxn:2:102928:70192,Cc1ccc(OCCC(C)Nc2ccon2)c(C)c1,DNASCGBIFUSRID-UHFFFAOYSA-N
rxn:2:77929:81152,CCC(Cc1ccc2ccccc2c1)NCC(C)c1c[nH]cn1,KKLUTDPLNXDSSO-UHFFFAOYSA-N
rxn:2:165559:139886,CC(NCC#Cc1ccc2nc[nH]c(=O)c2c1)c1ccc(-c2ccco2)cc1,GYEQFNQTABLJOE-UHFFFAOYSA-N
rxn:2:162493:120181,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2ccsn2)cc1,ADMBXXBNFPUGNW-UHFFFAOYSA-N
rxn:2:165796:142183,N=CCNc1ccc2c(c1)-c1ccccc1C2,GKQHGDPKKWHABQ-UHFFFAOYSA-N
rxn:2:97024:81963,CC(CCc1ccc2[nH]ccc2c1)NCCC#Cc1cscn1,YIPDWCFUUNXRGO-UHFFFAOYSA-N
rxn:2:97024:96187,F[C@@H]1C[C@H](c2ccccc2)CCC1NCCC#Cc1cscn1,WSTOKVJCXCVOMG-SYUDBMKNSA-N
rxn:2:144681:76379,CC(NCCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2cscn2)cc1,YFWVSNYOLZCMRM-UHFFFAOYSA-N
rxn:2:125962:138958,C[C@@H](NC1CC(C#Cc2cn[nH]c2)C1)c1ccc(-c2cccs2)cc1,QPQBHGBTJUULIM-LSWWBPAMSA-N
rxn:2:167169:105101,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccc[nH]2)cc1,LIPSPOJAIJKDQK-UHFFFAOYSA-N
rxn:2:168945:142183,CCC[C@@H](NCC=N)c1ccc2cc3ccccc3cc2c1,DSICZEAWGVRASC-HXUWFJFHSA-N
rxn:2:134689:126659,Cc1ccc2sc(C(C)NCCCC3CCN(C)CC3)cc2c1,NQLKBVXSWOHQRH-UHFFFAOYSA-N
rxn:2:141397:169785,CNC(C)c1cccc(-c2cc3cc(C)ccc3s2)n1,GXXUEWIMVHRJOS-UHFFFAOYSA-N
rxn:2:119168:88532,CC(NC1CC(C#Cc2cnn(C)c2)C1)c1ccc(-c2ccsc2)s1,IIAVOUYBYAZQAP-UHFFFAOYSA-N
rxn:2:141544:122855,CC(NCCSc1ncn[nH]1)c1ccc(-c2cccs2)s1,CFCWXLCUJLZGFC-UHFFFAOYSA-N
rxn:2:78535:127220,Cc1ccc(-c2cc(C(C)NCC#Cc3cnc4cn[nH]c4c3)cs2)s1,LRYFCQMCGGHVFI-UHFFFAOYSA-N
rxn:2:97063:127220,Cc1ccc(-c2cc(C(C)NCCSc3cnn[nH]3)cs2)s1,URACKWPFTCKNRL-UHFFFAOYSA-N
rxn:2:119266:107408,CC(NCCCCc1cnc2[nH]ccc2c1)c1ccc(-c2ccsc2)s1,VTJPOKGSMSYKMI-UHFFFAOYSA-N
rxn:2:76360:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3n[nH]nc3C)cc2)cs1,JQCWDJNWGMBXHE-UHFFFAOYSA-N
rxn:2:162493:141988,Cc1cc(-c2ccc(C(C)NCC#Cc3ccc4c(=O)[nH]cnc4c3)s2)cs1,OPAXZQCKXRKJKC-UHFFFAOYSA-N
rxn:2:103296:91563,Cc1cc(-c2ccco2)ccc1C(C)NCc1ncon1,BZALXBRZOLQFSV-UHFFFAOYSA-N
rxn:2:124198:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NCCC#Cc1ccsc1,UGJLLLIXUHVPHO-UHFFFAOYSA-N
rxn:2:73749:159692,C(#Cc1cn[nH]c1)CCNC1CCc2cc(-c3cccs3)ccc21,NFNHYDXFSPWURI-UHFFFAOYSA-N
rxn:2:138592:130974,CC(NC1CC(COc2cnccn2)C1)c1ccc(-c2ccsc2)cc1,JJLSGZAXVDBTNQ-UHFFFAOYSA-N
rxn:2:110352:172375,CCNC(C)c1ccc(-c2cc3ccccc3o2)c2c1OCO2,MTGSNRWNSYPILT-UHFFFAOYSA-N
rxn:2:70962:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC3c3cn[nH]c3C)cc2)cs1,KXGILEIPCLUBQG-UHFFFAOYSA-N
rxn:2:121663:170892,CC(NC(C)c1ccc(-c2cc3sccc3s2)s1)c1cn[nH]c1,SIKOOVFIDFMZRQ-UHFFFAOYSA-N
rxn:2:141397:170858,CNC(C)c1ccc(-c2cc(C)cs2)c(C)c1,GYVUFKSNTLIUDG-UHFFFAOYSA-N
rxn:2:146036:120181,CC(NCC1CC1c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccsn2)cc1,YKIWPXFHJZFTBS-UHFFFAOYSA-N
rxn:2:67380:96010,CC(NC1CCC2(CC1)CCN(C)CC2)c1ccc(-c2ccsc2)cc1,IOEXUMNERSWGRZ-UHFFFAOYSA-N
rxn:2:167592:108959,CC(NCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2cccs2)cc1,WLMBBDHEMLZWSY-UHFFFAOYSA-N
rxn:2:141397:145184,CNC1CCC(c2c[nH]c3ccccc23)CC1,JTOXQJNYTFDMAK-UHFFFAOYSA-N
rxn:2:130128:169197,CC(Nc1cnsc1)c1cccc2c1ccc1ccccc12,VGVZPIWDBHOLLN-UHFFFAOYSA-N
rxn:2:100318:94292,CCC(Nc1cn[nH]c(=O)n1)c1ccc(-c2sccc2C)s1,ILTZVKOBNIXCMK-UHFFFAOYSA-N
rxn:2:167169:114519,Cc1sccc1-c1ccc(C(C)NCC#Cc2ccc3[nH]c(=O)sc3c2)cc1,KLKXZRNALOYPNQ-UHFFFAOYSA-N
rxn:2:111746:120822,Cc1ccc(-c2ccc(C(C)NCCCCc3cnccn3)cc2)s1,JLMMYTWMUNJGSY-UHFFFAOYSA-N
rxn:2:169132:142183,CCC(NCC=N)c1ccc2cc3ccccc3cc2c1,GPCXAUIKOCDZAS-UHFFFAOYSA-N
rxn:2:68618:171633,CCC(NCC#Cc1ccc(-c2c[nH]cn2)cc1)c1ccc(-c2cccc(OC)c2C)cc1C,SREVKVPQYJVGJT-UHFFFAOYSA-N
rxn:2:141397:168941,CNC(Cc1ccc(C)c(C)c1)c1sccc1C,HFSJDOGRIUIGLJ-UHFFFAOYSA-N
rxn:2:128000:170026,CCCC(NCCCC1N=N1)c1ccc(-c2cc3cc(C)ccc3s2)cc1,UAZVLXFXDKFZGJ-UHFFFAOYSA-N
rxn:2:130089:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCS(=O)(=O)[O-],JEYTUGBFTLTXCZ-UHFFFAOYSA-M
rxn:2:126579:142183,Cc1cc(C#CCNCC=N)cs1,GSTBRSFCQGSEAU-UHFFFAOYSA-N
rxn:2:116191:103126,Cc1cccc(C2CC(NCCC#Cc3csc(C)c3)C2)c1,FFRCWKSXHKIIRX-UHFFFAOYSA-N
rxn:2:110352:84335,CCCC(Cc1cccc(C)c1)NCC,WKOFQTRABOCHJH-UHFFFAOYSA-N
rxn:2:137922:96010,CCOc1ncc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)cn1,PARSCSFLUVXALI-UHFFFAOYSA-N
rxn:2:85630:108959,CC(NCCCOc1cnn(C)c1)c1ccc(-c2cccs2)cc1,KYNJKRVLJYBNNV-UHFFFAOYSA-N
rxn:2:173217:142183,N=CCNc1ccc2c(c1)oc1cc3ccccc3cc12,GXASRYVXLBUAMS-UHFFFAOYSA-N
rxn:2:150747:66791,Cc1csc(-c2csc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)c2)c1,UDYHIMVWLZVBOT-UHFFFAOYSA-N
rxn:2:134867:142183,CCC[C@@H](NCC=N)c1ccc2ccccc2c1,LJKWIISFLZXXLR-MRXNPFEDSA-N
rxn:2:70440:122855,COc1ncc(CCCNC(C)c2ccc(-c3cccs3)s2)cn1,DRNRFQMEZSBVSI-UHFFFAOYSA-N
rxn:2:72200:110041,CC(NCCCc1nnc[nH]1)c1csc(-c2ccsc2)c1,OZSPYJHGJIQVIO-UHFFFAOYSA-N
rxn:2:88500:171648,CC(NCc1cnns1)c1ccc(-c2ccc3sccc3c2)o1,GTMRZZNNSILDKR-UHFFFAOYSA-N
rxn:2:148180:96010,CC(NCC1CC1c1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccsc2)cc1,AZYUBKNNPIDQNU-UHFFFAOYSA-N
rxn:2:138076:170892,CC(NCCc1ccon1)c1ccc(-c2cc3sccc3s2)s1,NEUSXCBKHSLMJM-UHFFFAOYSA-N
rxn:2:141397:145040,CNC1CCc2c([nH]c3ccccc23)C1,WPJSOYFKXTWLLY-UHFFFAOYSA-N
rxn:2:111913:102373,COCc1cc(C#CCCNC2CC(c3ccc(C)s3)C2)cs1,SQZHHQVZMYENQW-UHFFFAOYSA-N
rxn:2:68618:76379,CC(NCC#Cc1ccc(-c2c[nH]cn2)cc1)c1ccc(-c2cscn2)cc1,YUKFAGFYHXYMKR-UHFFFAOYSA-N
rxn:2:110352:151977,CCNC(c1cc[nH]c1)c1cccc2ccccc12,FDHFXJUETLEXLI-UHFFFAOYSA-N
rxn:1:41624:5553,CC(N)c1cn(-c2ccc(Br)cc2Br)nn1,PMUBDNYRZOGAKD-UHFFFAOYSA-N
rxn:2:139397:142183,COc1cccc2sc(NCC=N)cc12,WSSTVDGAYGHOBR-UHFFFAOYSA-N
rxn:2:122923:141988,Cc1cc(-c2ccc(C(C)NCCCc3ccc4[nH]c(=O)[nH]c4c3)s2)cs1,UOAOZEYKDVGJGC-UHFFFAOYSA-N
rxn:2:131733:68807,Cc1ccsc1-c1ccc(C(C)NCc2nc(=N)[nH][nH]2)s1,CXLQIRLHCOWVDL-UHFFFAOYSA-N
rxn:2:128825:108959,CC(NCCCc1cc[nH]c1)c1ccc(-c2cccs2)cc1,YSHQLTSWSPOKKT-UHFFFAOYSA-N
rxn:2:138255:94314,Cc1cccc2c(C(C)N[C@H]3CC[C@@H](CCN(C)C)CC3)csc12,QQJXDNWGESOAQL-AYHJJNSGSA-N
rxn:2:82050:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCc1n[nH]c(=O)o1,NZFYQLYBJSICFW-UHFFFAOYSA-N
rxn:2:77560:169111,CC(Nc1cnoc1)c1ccc2ccc3ccccc3c2c1,OXNUYAPUBJWIBK-UHFFFAOYSA-N
rxn:2:126885:169412,CCCS(=O)(=O)CCNC(C)CCc1ccc(-c2cc(C)cs2)cc1,RCQKBZIRHDZNSO-UHFFFAOYSA-N
rxn:2:123151:142183,Cc1cccc2cc(NCC=N)ccc12,KFWNPTKIRJVPII-UHFFFAOYSA-N
rxn:2:108320:108959,Cc1ncc(C#CCCNC(C)c2ccc(-c3cccs3)cc2)cn1,IXEJKPIIKQNQTM-UHFFFAOYSA-N
rxn:2:130128:78538,Cc1ccsc1-c1ccc(C(C)Nc2cnsc2)cc1,YRQVAYGJCQOLCK-UHFFFAOYSA-N
rxn:2:124198:81963,CC(CCc1ccc2[nH]ccc2c1)NCCC#Cc1ccsc1,TUEKDBBNZZXTMU-UHFFFAOYSA-N
rxn:2:122351:78104,CSCC(Nc1c[nH]nn1)c1ccc(C)cc1C,PBNKLBKHJPLTBA-UHFFFAOYSA-N
rxn:2:116191:85300,Cc1cc(C#CCCNC2CC3(Cc4ccccc4C3)C2)cs1,KLWHCZJOZCWMQZ-UHFFFAOYSA-N
rxn:2:87202:111053,CC(NCCc1cn[nH]c1)c1ccc2ccccc2c1,HWHUOOFBZJFIDZ-UHFFFAOYSA-N
rxn:2:150747:109025,Cc1csc(-c2cc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)cs2)c1,JRLRSIJNLZGAPF-UHFFFAOYSA-N
rxn:2:141397:110041,CNC(C)c1csc(-c2ccsc2)c1,CAIFURSVKOKUPE-UHFFFAOYSA-N
rxn:1:43251:31376,CNCCc1ccc(-c2cn(CC#Cc3cnc(Cl)c([N+](=O)[O-])c3C)nn2)c(Cl)c1,DGEPRCPBZVKLCZ-UHFFFAOYSA-N
rxn:2:110352:130166,CCNC(Cc1cccc(C)c1)c1cccnc1,CTPZCENKNFAMQX-UHFFFAOYSA-N
rxn:2:141397:77845,CNC1CCc2ccc(C)c(C)c2C1,JWAGZVDWBCOLBC-UHFFFAOYSA-N
rxn:2:70378:113626,CC(NCCCCc1cc[nH]c1)c1ccc(-c2cc[nH]c2)s1,CGJJUHVYQWYOQP-UHFFFAOYSA-N
rxn:2:141397:151289,CNC1CCc2cc(-c3ccc4c(c3)OCO4)ccc2C1,RQKVKNQHVSCIKK-UHFFFAOYSA-N
rxn:2:78786:142183,Cc1ccc(CC(NCC=N)C2CCCCC2)cc1C,GLWSCFYWRDAXBD-UHFFFAOYSA-N
rxn:2:113171:108959,CC(NCCCc1cnn[nH]1)c1ccc(-c2cccs2)cc1,QLYNGMNBRZDUPD-UHFFFAOYSA-N
rxn:2:122351:156549,CCC(Nc1c[nH]nn1)c1ccc2cc(C)ccc2c1,TWLANHDNFYVGNE-UHFFFAOYSA-N
rxn:2:141397:117874,CNC1CCN(c2cccc(C)c2C)C1,OHXPRGZGMZWGNP-UHFFFAOYSA-N
rxn:2:141397:100235,CNC(C)c1cc2cc(C)ccc2o1,UGOBQSUXQURSIV-UHFFFAOYSA-N
rxn:2:92565:172618,CC(NCCc1ccns1)c1cc(-c2cc3sccc3s2)cs1,KARXZVIRADGBAI-UHFFFAOYSA-N
rxn:2:101118:142183,N=CCN[C@@H](c1ccc2ccccc2c1)C1CCC1,PDWPZRHPPSGFFL-QGZVFWFLSA-N
rxn:2:97024:70812,C(#Cc1cscn1)CCNC1CCC(c2ccccc2)CC1,NDOBLFQKSMMOOT-UHFFFAOYSA-N
rxn:2:146036:122855,CC(NCC1CC1c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cccs2)s1,WUVIPLCYGYYOIZ-UHFFFAOYSA-N
rxn:2:142314:141988,Cc1cc(-c2ccc(C(C)NCC#Cc3ccc4[nH]ccc(=O)c4c3)s2)cs1,HALPETRBTNWABC-UHFFFAOYSA-N
rxn:2:137816:96010,CSc1ncc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)cn1,RQGPIXQKNMGTKI-UHFFFAOYSA-N
rxn:2:110352:173089,CCNC(C)c1ccc(-c2cc3sccc3s2)cc1C,YQKKQECPIZKWSO-UHFFFAOYSA-N
rxn:2:133307:173095,CC(NCCc1cn[nH]n1)c1ccc2sc3ccccc3c2c1,LBCQZXXFBHOTQM-UHFFFAOYSA-N
rxn:2:127318:96010,Cc1cc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)ncn1,UORGBEXNHSLIIW-UHFFFAOYSA-N
rxn:2:97941:142183,Cc1csc2cc(NCC=N)ccc12,AHDGAIWBGLUSGN-UHFFFAOYSA-N
rxn:2:137816:108959,CSc1ncc(C#CCNC(C)c2ccc(-c3cccs3)cc2)cn1,FAYYEJXFKCYJOU-UHFFFAOYSA-N
rxn:2:76009:109025,COc1cc(C#CCNC(C)c2csc(-c3cc(C)cs3)c2)ncn1,XOSJZOOBQWVMAH-UHFFFAOYSA-N
rxn:2:141397:72767,CNC1CCC(c2ccc(OC)cc2)CC1,JSETZRQUTNMTPW-UHFFFAOYSA-N
rxn:2:91779:96010,CC(NCCCc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2ccsc2)cc1,PFIZTIKXXIMYDB-UHFFFAOYSA-N
rxn:2:86811:96010,CC(NC1CCC(CC2CCN(C)C2)CC1)c1ccc(-c2ccsc2)cc1,XKRAJLHAYQTPDP-UHFFFAOYSA-N
rxn:2:141397:169414,CNC(C)c1cc2cc(-c3ccc(C)o3)ccc2o1,ZYDNNCFSLNZTTD-UHFFFAOYSA-N
rxn:2:156072:111147,CC(NCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2nccs2)cc1,MSTKTQDFDMHJCK-UHFFFAOYSA-N
rxn:2:77560:169821,CC(Nc1cnoc1)c1ccc2cc3ccccc3cc2c1,SEENUQFGSQBQLA-UHFFFAOYSA-N
rxn:2:167169:120181,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccsn2)cc1,XRKPLFOXAJGUPU-UHFFFAOYSA-N
rxn:2:121028:170892,CC(NCCSc1cnccn1)c1ccc(-c2cc3sccc3s2)s1,WBKIXUIUMZQBKT-UHFFFAOYSA-N
rxn:2:141544:172618,CC(NCCSc1ncn[nH]1)c1cc(-c2cc3sccc3s2)cs1,QUCZWEOOHHVCQL-UHFFFAOYSA-N
rxn:2:141397:84335,CCCC(Cc1cccc(C)c1)NC,OGEAZQHGMRAAPO-UHFFFAOYSA-N
rxn:2:92934:96010,CC(NCC#Cc1ccc2[nH]nnc2c1)c1ccc(-c2ccsc2)cc1,RWKDVWQIZAMKNM-UHFFFAOYSA-N
rxn:2:78535:109025,Cc1csc(-c2cc(C(C)NCC#Cc3cnc4cn[nH]c4c3)cs2)c1,NSPLFEXPMQADEE-UHFFFAOYSA-N
rxn:2:110222:112875,O=c1[nH]c2ncc(CCCNC3CC(C#Cc4cccs4)C3)cc2o1,UXBUFNNCYVDIHR-UHFFFAOYSA-N
rxn:2:92382:141195,CCC(Nc1cn[nH]c1)c1ccc(-c2sccc2C)cc1,QHFIFVCFBKIZSB-UHFFFAOYSA-N
rxn:2:76896:120181,CC(NCCC#Cc1cccnc1)c1ccc(-c2ccsn2)cc1,QPZXVZDDBDPDSH-UHFFFAOYSA-N
rxn:2:152434:139886,CC(NCC#Cc1ccc2[nH]c(=O)oc(=O)c2c1)c1ccc(-c2ccco2)cc1,UTPGYJMARNWFOV-UHFFFAOYSA-N
rxn:2:132899:78538,Cc1ccsc1-c1ccc(C(C)NCCc2nncs2)cc1,CVAZTMKGVIQOLW-UHFFFAOYSA-N
rxn:2:139383:169412,Cc1csc(-c2ccc(CCC(C)NCCCCc3cn(C)cn3)cc2)c1,FPIDQJRVCFTSCA-UHFFFAOYSA-N
rxn:2:141397:132130,CNC1CCn2c1cc1ccccc12,SCWXLTKDIHPLKW-UHFFFAOYSA-N
rxn:2:131974:120822,Cc1ccc(-c2ccc(C(C)NCCCc3cnccn3)cc2)s1,XVTJVMDJGXUWGV-UHFFFAOYSA-N
rxn:2:89902:70831,CC(NC1CCC(CCOS(C)(=O)=O)C1)c1ccc(-c2cccs2)s1,SNIXSDKNULHQDJ-UHFFFAOYSA-N
rxn:2:76625:108959,CC(NCCC#Cc1cnc[nH]1)c1ccc(-c2cccs2)cc1,VRLLRRQJBZIWCN-UHFFFAOYSA-N
rxn:2:108728:91563,Cc1cc(-c2ccco2)ccc1C(C)NC(c1nnn[nH]1)C1CC1,YKAVAAMHFPFZOD-UHFFFAOYSA-N
rxn:2:89554:85686,CC(NCC#Cc1cnc2nc[nH]c2c1)c1csc(-c2cccs2)c1,YCJFBFIQPLZCKK-UHFFFAOYSA-N
rxn:2:141397:145068,CNC(Cc1ccc2ccccc2n1)c1ccc(C)o1,XQTVYCDUZSTVJL-UHFFFAOYSA-N
rxn:2:66197:142183,Cc1ccc(C)c(CONCC=N)c1,XKLHNHTZAVJCGU-UHFFFAOYSA-N
rxn:2:130128:171179,CCC(Nc1cnsc1)c1ccc(-c2ccc(C)o2)cc1C,CXQXYDWCYQRGOU-UHFFFAOYSA-N
rxn:2:82511:141988,Cc1cc(-c2ccc(C(C)NCCC#Cc3ccc4[nH]cnc4c3)s2)cs1,UCODFJYPSMWQKQ-UHFFFAOYSA-N
rxn:2:134387:142183,N=CCNCC#Cc1ccc2c(c1)CC2,KRZFWHHHPHWOMY-UHFFFAOYSA-N
rxn:2:71745:126659,Cc1ccc2sc(C(C)NCCCC3CCc4nc(C)[nH]c4C3)cc2c1,NOJNWYZGGJFLGL-UHFFFAOYSA-N
rxn:2:125874:139886,CC(NCCCc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccco2)cc1,XKXXCPWLCIVHTO-UHFFFAOYSA-N
rxn:2:122351:169111,CC(Nc1c[nH]nn1)c1ccc2ccc3ccccc3c2c1,NKAYAVBSMHUHAV-UHFFFAOYSA-N
rxn:2:77202:170892,CC(NCCCc1cn[nH]c1)c1ccc(-c2cc3sccc3s2)s1,IPHOYUJDQRBNIT-UHFFFAOYSA-N
rxn:2:83604:172062,CCCC(NCC1N=N1)c1ccc(-c2cc3ccccc3s2)cc1,PEAOKLOYIXQZEP-UHFFFAOYSA-N
rxn:2:144636:166167,O=c1[nH]c2ccc(C#CCCNC3CCc4c(ccc5ccccc45)C3)cc2[nH]1,NIWCLFSUBYWRLL-UHFFFAOYSA-N
rxn:2:146036:109025,Cc1csc(-c2cc(C(C)NCC3CC3c3ccc4[nH]c(=O)[nH]c4c3)cs2)c1,NEWFSOGMACADAC-UHFFFAOYSA-N
rxn:2:114506:173095,CC(Nc1cc(=O)[nH][nH]1)c1ccc2sc3ccccc3c2c1,NUHIIIPBIHEERL-UHFFFAOYSA-N
rxn:2:137922:122855,CCOc1ncc(C#CCNC(C)c2ccc(-c3cccs3)s2)cn1,LNJFNUWXVJLSID-UHFFFAOYSA-N
rxn:2:101840:142183,N=CCNC(CC1CC1)c1ccc2c(c1)CCCC2,CRUCXNDEHCFALT-UHFFFAOYSA-N
rxn:2:68525:96010,COCc1cc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)cs1,XIZDDKOIFDWVPT-UHFFFAOYSA-N
rxn:2:141397:169111,CNC(C)c1ccc2ccc3ccccc3c2c1,BREBTUVUQMSOFZ-UHFFFAOYSA-N
rxn:2:156072:116515,CC(NCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2cccs2)nc1,VHJMUWIRSHWXJC-UHFFFAOYSA-N
rxn:2:74972:91563,Cc1cc(-c2ccco2)ccc1C(C)NCc1nnn[nH]1,XNUREYRECQIJAW-UHFFFAOYSA-N
rxn:2:108517:142183,CCCC(NCC=N)c1ccc2ccccc2c1,LJKWIISFLZXXLR-UHFFFAOYSA-N
rxn:2:146036:66791,Cc1csc(-c2csc(C(C)NCC3CC3c3ccc4[nH]c(=O)[nH]c4c3)c2)c1,SORXQKMBWUYSEH-UHFFFAOYSA-N
rxn:2:144636:120822,Cc1ccc(-c2ccc(C(C)NCCC#Cc3ccc4[nH]c(=O)[nH]c4c3)cc2)s1,HSIZFPYDMYFOQK-UHFFFAOYSA-N
rxn:1:41624:28754,C[C@H](N)c1cn(-c2ccc(Br)cc2Br)nn1,PMUBDNYRZOGAKD-LURJTMIESA-N
rxn:2:118218:96010,CC(NCCCc1cnc2cc[nH]c2c1)c1ccc(-c2ccsc2)cc1,MGWSRAHIIAPEFL-UHFFFAOYSA-N
rxn:2:129587:96010,CC(NCCCc1ncccn1)c1ccc(-c2ccsc2)cc1,IGLZGAONCXZUSM-UHFFFAOYSA-N
rxn:2:120823:170060,Cc1ccnc(OCCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)n1,MDKNWYBJWDUWHU-UHFFFAOYSA-N
rxn:2:137922:108959,CCOc1ncc(C#CCNC(C)c2ccc(-c3cccs3)cc2)cn1,BPNSCHMBNZNLIP-UHFFFAOYSA-N
rxn:2:67593:170892,CC(NCC#Cc1cn[nH]c1)c1ccc(-c2cc3sccc3s2)s1,SYIJREMXXIYVID-UHFFFAOYSA-N
rxn:2:141238:170060,Cc1cc(-c2ccc(CCC(C)NCCC(C)Sc3nnc[nH]3)cc2)cs1,NDHBGMAUGIRNSH-UHFFFAOYSA-N
rxn:2:92749:173095,CC(Nc1nnn[nH]1)c1ccc2sc3ccccc3c2c1,VGRWFOVLECYGGJ-UHFFFAOYSA-N
rxn:2:118218:68807,Cc1ccsc1-c1ccc(C(C)NCCCc2cnc3cc[nH]c3c2)s1,JMOJGMWRECCHLV-UHFFFAOYSA-N
rxn:2:73915:122855,COc1cc(CNC(C)c2ccc(-c3cccs3)s2)[nH]n1,SAGCDNMVRFGCIO-UHFFFAOYSA-N
rxn:2:114843:170060,Cc1cc(-c2ccc(CCC(C)NCC(C)CCc3cc[nH]c3)cc2)cs1,LCBXFTSODGZGJU-UHFFFAOYSA-N
rxn:2:125962:130974,C[C@@H](NC1CC(COc2cnccn2)C1)c1ccc(-c2cccs2)cc1,WGBUELRBPGTDBG-MDCZIUGASA-N
rxn:1:41624:3819,C[C@@H](N)c1cn(-c2ccc(Br)cc2Br)nn1,PMUBDNYRZOGAKD-ZCFIWIBFSA-N
rxn:2:128153:170892,CC(NCc1onc2ncoc12)c1ccc(-c2cc3sccc3s2)s1,LWKCELJOLQXMRB-UHFFFAOYSA-N
rxn:2:160401:96010,CC(NCCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2ccsc2)cc1,HCJXKWCVNYRPIJ-UHFFFAOYSA-N
rxn:2:105080:108959,CC(NCCc1cc[nH]c1)c1ccc(-c2cccs2)cc1,WTJLGEMPPHEMHL-UHFFFAOYSA-N
rxn:2:77440:159185,C=C=CC(Nc1cnon1)c1ccc2ccccc2c1,FPPLNKBYYSYWQG-UHFFFAOYSA-N
rxn:2:134110:173095,CC(NCCc1ncon1)c1ccc2sc3ccccc3c2c1,NDXDALPMKUTYPK-UHFFFAOYSA-N
rxn:2:139209:146828,CSCC(Nc1n[nH]c(=O)[nH]1)c1ccc2cc(C)ccc2c1,OVRHWYBOHGIZMM-UHFFFAOYSA-N
rxn:2:141397:95623,CNC(C)c1cc2ccc(C)cc2o1,BKXSKUZFYPXCLQ-UHFFFAOYSA-N
rxn:2:132002:97346,CN1CCC(C2CC(NC3CCC(c4ccsc4)CC3)C2)CC1,RKZNTIXRHOYJND-UHFFFAOYSA-N
rxn:2:120126:81125,CC(NCc1cnco1)c1ccc(-c2ccco2)s1,RARSVYLIQSXPLO-UHFFFAOYSA-N
rxn:2:150747:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ccc3[nH]c(=O)[nH]c3c2)cc1,XAULEBRNQYLXFH-UHFFFAOYSA-N
rxn:2:122468:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCCCc1cscn1,FLQCECAWHHXBTL-UHFFFAOYSA-N
rxn:2:114213:94292,CCC(Nc1c[nH][nH]c1=O)c1ccc(-c2sccc2C)s1,NNWHVZWFEDUVOD-UHFFFAOYSA-N
rxn:2:127440:171179,CCC(Nc1cnns1)c1ccc(-c2ccc(C)o2)cc1C,NZDHSCXXPSDLEJ-UHFFFAOYSA-N
rxn:2:82296:142183,CCC[C@H](NCC=N)c1cccc2ccccc12,LIDYNMVOKRNXTR-INIZCTEOSA-N
rxn:2:79392:110334,Cc1ccc2cc(C(C)NCCCCc3cn[nH]c3)ccc2c1,BHDCTJCLHPXVBV-UHFFFAOYSA-N
rxn:2:100097:96010,CC(NC1CCC(CCN(C)C)CC1)c1ccc(-c2ccsc2)cc1,YUVPFCYNXVMBSB-UHFFFAOYSA-N
rxn:2:141397:83817,CNC(C)CCOc1ccccc1C,RZDGASUTBONVHS-UHFFFAOYSA-N
rxn:2:166241:120181,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(-c2ccsn2)cc1,XPYAWWLLKNDZFE-UHFFFAOYSA-N
rxn:2:156072:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ccc3[nH]c(=O)oc3c2)cc1,JZEFZPGXJGYXBM-UHFFFAOYSA-N
rxn:2:87876:77187,C(#Cc1cccs1)CCNC1CC(c2ccc3c(c2)CCO3)C1,MYGSXZIKAJIJJS-UHFFFAOYSA-N
rxn:2:141397:171648,CNC(C)c1ccc(-c2ccc3sccc3c2)o1,IKDQEZJYWIXDMA-UHFFFAOYSA-N
rxn:2:141397:89838,CNC(C)c1ccc2nc(C)sc2c1,PVMCDASDHLAGMQ-UHFFFAOYSA-N
rxn:2:102843:96010,CC(NCCc1cc(-c2cnccn2)n[nH]1)c1ccc(-c2ccsc2)cc1,BTRMOBKINVFTBW-UHFFFAOYSA-N
rxn:2:141397:156984,CNC(C)c1ccc(-c2cc(OC)cs2)cc1C,KCQJHIJDUQWQFP-UHFFFAOYSA-N
rxn:2:76625:159692,C(#Cc1cnc[nH]1)CCNC1CCc2cc(-c3cccs3)ccc21,SYLAOTUIJBMTAU-UHFFFAOYSA-N
rxn:2:71072:119227,Cc1ccc2c(c1)CCC(NC(C)Cc1cn[nH]c1)C2,WNJSNAHYQCSAAO-UHFFFAOYSA-N
rxn:2:132131:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3ncno3)c2)cc1C,CMLFKOSVXIVHEP-UHFFFAOYSA-N
rxn:2:92018:170892,CC(NCC(F)c1cn[nH]c1)c1ccc(-c2cc3sccc3s2)s1,RJBLBVVQBGJFHA-UHFFFAOYSA-N
rxn:2:109913:172618,CC(NCC#Cc1nnc[nH]1)c1cc(-c2cc3sccc3s2)cs1,JNFIAYDYILHLBE-UHFFFAOYSA-N
rxn:2:94771:170548,CC(Nn1cnnc1)c1cccc2cc3ccccc3cc12,YEHODAHROIZXPY-UHFFFAOYSA-N
rxn:2:73576:108959,CC(NCCCc1c[nH][nH]c1=O)c1ccc(-c2cccs2)cc1,JKSNQYDBZAWJAL-UHFFFAOYSA-N
rxn:2:112333:102419,CCCC(Cc1ccc2ccccc2c1)NCc1nc(=O)[nH][nH]1,AFOPFZIKIJJQOZ-UHFFFAOYSA-N
rxn:2:110352:169550,CCNC(c1ccccc1)c1ccc(-c2ccco2)cc1,KRGHJPACXXTFFJ-UHFFFAOYSA-N
rxn:2:84078:105824,CN(C)C(CNc1ncns1)c1ccc2c(c1)CCCS2,VCYMHLMZWGCUDK-UHFFFAOYSA-N
rxn:2:137922:110041,CCOc1ncc(C#CCNC(C)c2csc(-c3ccsc3)c2)cn1,MMLILAXTYFUQFJ-UHFFFAOYSA-N
rxn:2:108076:67686,COc1cccc(C(CN2CC2)Nc2c[nH]nc2C)c1,FJHLECHLOMXCJC-UHFFFAOYSA-N
rxn:2:141397:169935,CNC(C)Sc1ccc(-c2ccc(C(C)=O)s2)cc1,VZPHAYSWLUFFTF-UHFFFAOYSA-N
rxn:2:127524:108959,Cc1nc(C#CCNC(C)c2ccc(-c3cccs3)cc2)c[nH]1,LLZQYFWNMMLPBJ-UHFFFAOYSA-N
rxn:2:87202:172618,CC(NCCc1cn[nH]c1)c1cc(-c2cc3sccc3s2)cs1,GKRHVLJGDZWLPV-UHFFFAOYSA-N
rxn:2:75557:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3nnn[nH]3)cc2)c1,RTPYIKZNGXFLMR-UHFFFAOYSA-N
rxn:2:97063:122855,CC(NCCSc1cnn[nH]1)c1ccc(-c2cccs2)s1,DOWHYSRSWREOET-UHFFFAOYSA-N
rxn:2:99080:108959,CCn1cc(C#CCNC(C)c2ccc(-c3cccs3)cc2)cn1,MXCKKHUSFZNOBT-UHFFFAOYSA-N
rxn:2:148180:141988,Cc1cc(-c2ccc(C(C)NCC3CC3c3ccc4[nH]c(=O)sc4c3)s2)cs1,ICAFXEVTUKJCCI-UHFFFAOYSA-N
rxn:2:139659:170060,Cc1cc(-c2ccc(CCC(C)NCCC3CC3c3c[nH]cn3)cc2)cs1,AIVFJMDESCPHPD-UHFFFAOYSA-N
rxn:2:146036:127220,Cc1ccc(-c2cc(C(C)NCC3CC3c3ccc4[nH]c(=O)[nH]c4c3)cs2)s1,ZTGYQDVTVIPMMS-UHFFFAOYSA-N
rxn:2:113063:83505,CSC1CCCC(NC(C)COc2ccc(C)cc2C)C1,RPMUUXLZERRFCR-UHFFFAOYSA-N
rxn:2:110765:122855,CC(NCC#Cc1cnc(N(C)C)nc1)c1ccc(-c2cccs2)s1,ZLFNNDWWHAXLCP-UHFFFAOYSA-N
rxn:2:162493:68807,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ccc3c(=O)[nH]cnc3c2)s1,JZGGYCYAQUGCCZ-UHFFFAOYSA-N
rxn:2:110724:170892,CCOc1ccc(C#CCNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,JPJVTNYXWXZFEG-UHFFFAOYSA-N
rxn:2:77560:113626,CC(Nc1cnoc1)c1ccc(-c2cc[nH]c2)s1,AQRLKLQWJKLFAY-UHFFFAOYSA-N
rxn:2:135654:71708,Cc1ccc(C)c(CC(CC2CC2)Nc2cnc[nH]2)c1,JFNHNSMIBFJNLY-UHFFFAOYSA-N
rxn:2:97063:165512,Cc1ccsc1-c1ccc2c(c1)CCC2NCCSc1cnn[nH]1,GFNPTFMJCOIQGI-UHFFFAOYSA-N
rxn:1:60111:3886,CN1CC(c2cn(I)nn2)C1,XZADMEBLGUONMI-UHFFFAOYSA-N
rxn:2:87202:125333,CCC(NCCc1cn[nH]c1)c1ccc(-c2cc[nH]c2)cc1,IVMQBLDHPOYTCA-UHFFFAOYSA-N
rxn:2:131003:122855,CC(NC1Cc2cn[nH]c2C1)c1ccc(-c2cccs2)s1,GKDWDYWGLQSSCW-UHFFFAOYSA-N
rxn:2:113894:85686,CC(NC1CCc2[nH]ncc21)c1csc(-c2cccs2)c1,LBGKCGCCGKZXHH-UHFFFAOYSA-N
rxn:2:141397:165123,CNC1CCc2cc3ccccc3cc21,AGEKGKQECBZTLT-UHFFFAOYSA-N
rxn:2:141397:171179,CCC(NC)c1ccc(-c2ccc(C)o2)cc1C,OWLRWGYGPSUSSM-UHFFFAOYSA-N
rxn:2:73749:108959,CC(NCCC#Cc1cn[nH]c1)c1ccc(-c2cccs2)cc1,GZKSNDGNHVOABP-UHFFFAOYSA-N
rxn:2:68712:70192,CCSC1CC1CNC(C)CCOc1ccc(C)cc1C,RADFSPMLHSGYEM-UHFFFAOYSA-N
rxn:2:108274:142183,N=CCNCC#Cc1cc2ccccc2s1,KXVKRWSWEBKZPZ-UHFFFAOYSA-N
rxn:2:167169:85327,Cc1ccc(-c2cc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)cs2)cc1,UTJCPFYJZMEZOW-UHFFFAOYSA-N
rxn:2:156072:129654,Cc1nc(-c2ccsc2)ccc1C(C)NCC#Cc1ccc2[nH]c(=O)oc2c1,FWWCCSFVUKHENC-UHFFFAOYSA-N
rxn:2:112830:129654,Cc1nc(-c2ccsc2)ccc1C(C)NCCCCc1ncccn1,NLTBRVJLNJJNBC-UHFFFAOYSA-N
rxn:2:124693:82536,CC(CCCc1cccs1)NCC(C)c1nnn[nH]1,YIJHHVORHOYLKX-UHFFFAOYSA-N
rxn:2:97946:112875,CS(=O)(=O)c1ccc(C#CCCNC2CC(C#Cc3cccs3)C2)cc1,WXIHWDGHFCCHPO-UHFFFAOYSA-N
rxn:2:167169:139886,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccco2)cc1,QGKOQPFQKZDQLH-UHFFFAOYSA-N
rxn:2:92382:70192,Cc1ccc(OCCC(C)Nc2cn[nH]c2)c(C)c1,CBKPRBLMUFZWNO-UHFFFAOYSA-N
rxn:2:141497:169340,CC(NCc1cnon1)c1ccc(-c2cc3ccccc3s2)s1,UVTCPDXMEAMKIO-UHFFFAOYSA-N
rxn:2:76009:170892,COc1cc(C#CCNC(C)c2ccc(-c3cc4sccc4s3)s2)ncn1,KOZQFEONLAYAPG-UHFFFAOYSA-N
rxn:2:82511:109025,Cc1csc(-c2cc(C(C)NCCC#Cc3ccc4[nH]cnc4c3)cs2)c1,SGJGFUWRJDNCGG-UHFFFAOYSA-N
rxn:2:129587:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3ncccn3)c2)cc1C,VJDNRZMHLCXFFW-UHFFFAOYSA-N
rxn:2:88848:96010,CC(NCCC#Cc1ncccn1)c1ccc(-c2ccsc2)cc1,IWTVOGBBPVVJPJ-UHFFFAOYSA-N
rxn:2:122923:108959,CC(NCCCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cccs2)cc1,HOVXHXFXIPEJCT-UHFFFAOYSA-N
rxn:2:172720:142183,N=CCN[C@@H](c1ccc2ccccc2c1)C1CCCC1,YWDOBXKHFBSDTP-GOSISDBHSA-N
rxn:2:113605:152898,CC(Cc1ccoc1)NC1CCc2cc3ccccc3cc2C1,YFJYKDLRBCTHDM-UHFFFAOYSA-N
rxn:2:138933:120822,Cc1ccc(-c2ccc(C(C)NCCCOc3cn[nH]c3)cc2)s1,JGEWLQMREMAMDM-UHFFFAOYSA-N
rxn:2:86297:70192,Cc1ccc(OCCC(C)NCc2cnsn2)c(C)c1,SFEKQEYKUWRLBZ-UHFFFAOYSA-N
rxn:2:100318:146828,CSCC(Nc1cn[nH]c(=O)n1)c1ccc2cc(C)ccc2c1,YAAIEDMZHFKTQK-UHFFFAOYSA-N
rxn:2:173056:142183,N=CCNc1ccc(-c2cc3ccccc3s2)cc1,UGSISRVXHLWNQU-UHFFFAOYSA-N
rxn:2:137743:118376,c1cc(CCCCNC2CCc3ccsc3C2)cs1,WMZWWBALUAOMAK-UHFFFAOYSA-N
rxn:2:76009:127220,COc1cc(C#CCNC(C)c2csc(-c3ccc(C)s3)c2)ncn1,OORHHTXKHKFWOM-UHFFFAOYSA-N
rxn:2:127086:108959,Cc1ncc(C#CCNC(C)c2ccc(-c3cccs3)cc2)cn1,CUHDLYWRBPKKTA-UHFFFAOYSA-N
rxn:2:139808:94314,CCC(NC(C)c1csc2c(C)cccc12)c1c[nH]nn1,JCUYMCDVRIECJH-UHFFFAOYSA-N
rxn:2:127621:170892,CC(NCCC1CC1c1cnc2nc[nH]c2c1)c1ccc(-c2cc3sccc3s2)s1,XGHQBXMPQJFCLK-UHFFFAOYSA-N
rxn:2:77560:94292,CCC(Nc1cnoc1)c1ccc(-c2sccc2C)s1,CETBXHXZPIYJEQ-UHFFFAOYSA-N
rxn:2:73728:158208,Cc1ccc(OCC(NC2CC2)c2ccn(C)c2)c(C)c1,NTICGJNSVAHURL-UHFFFAOYSA-N
rxn:2:119168:70831,CC(NC1CCC(CCOS(C)(=O)=O)C1)c1ccc(-c2ccsc2)s1,AUTMPNJVIAZMID-UHFFFAOYSA-N
rxn:2:120126:146533,CC(NCc1cnco1)c1ccc(-c2ccc3cnoc3c2)s1,OQFPASJWGLUWCT-UHFFFAOYSA-N
rxn:2:116191:139886,Cc1cc(C#CCCNC(C)c2ccc(-c3ccco3)cc2)cs1,YMTFVSZIBZTYMW-UHFFFAOYSA-N
rxn:2:76009:141988,COc1cc(C#CCNC(C)c2ccc(-c3csc(C)c3)s2)ncn1,IQLLSQYWNFDXFR-UHFFFAOYSA-N
rxn:2:116191:130267,Cc1cc(C#CCCNC(C)c2ccc3ccsc3c2)cs1,OFPOQVOYKATJRT-UHFFFAOYSA-N
rxn:2:150747:155500,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc2c(c1)Cc1ccccc1O2,GOGLVFKNSHDZCP-UHFFFAOYSA-N
rxn:2:108880:170892,CC(N[C@@H]1C[C@H]1c1c[nH]cn1)c1ccc(-c2cc3sccc3s2)s1,AMXQURJOGRWEPF-PQDIPPBSSA-N
rxn:2:167169:138996,Cc1cc(C(C)NCC#Cc2ccc3[nH]c(=O)sc3c2)ccc1-c1nccs1,GJMXLAUSWYXFME-UHFFFAOYSA-N
rxn:2:68618:120181,CC(NCC#Cc1ccc(-c2c[nH]cn2)cc1)c1ccc(-c2ccsn2)cc1,IHEHUTRMIHWCOC-UHFFFAOYSA-N
rxn:2:141397:85300,CNC1CC2(Cc3ccccc3C2)C1,DDRZVVPGMXYLRC-UHFFFAOYSA-N
rxn:2:164276:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCCCc1ccc2c(=O)[nH]cnc2c1,PQSMLVGUUCBXPM-UHFFFAOYSA-N
rxn:2:141397:150431,CNC(Cc1ccncc1)c1ccc2ccccc2c1,XAZTYRZLGLRQQK-UHFFFAOYSA-N
rxn:2:129458:96010,CC(NCC#Cc1cnc2[nH]ccc2n1)c1ccc(-c2ccsc2)cc1,KFYLUVKMYDTAOE-UHFFFAOYSA-N
rxn:2:122468:109025,Cc1csc(-c2cc(C(C)NCCCCc3cscn3)cs2)c1,SHLSWKAYIXAUCB-UHFFFAOYSA-N
rxn:2:129122:108959,COc1cc(C#CCCNC(C)c2ccc(-c3cccs3)cc2)ccn1,JVADAGMJYIVZCM-UHFFFAOYSA-N
rxn:2:78535:96514,Cc1nc(-c2cc(C(C)NCC#Cc3cnc4cn[nH]c4c3)cs2)cs1,CCLSBGCUIJOSPW-UHFFFAOYSA-N
rxn:2:89554:108959,CC(NCC#Cc1cnc2nc[nH]c2c1)c1ccc(-c2cccs2)cc1,WADVZLCEYVBWPW-UHFFFAOYSA-N
rxn:2:100318:68807,Cc1ccsc1-c1ccc(C(C)Nc2cn[nH]c(=O)n2)s1,JCAPDKNOFAZBGF-UHFFFAOYSA-N
rxn:2:146036:68807,Cc1ccsc1-c1ccc(C(C)NCC2CC2c2ccc3[nH]c(=O)[nH]c3c2)s1,VANMNRIMMBRKAB-UHFFFAOYSA-N
rxn:2:138381:96010,CC(NCCOc1cc(N2CCC2)ncn1)c1ccc(-c2ccsc2)cc1,WPZGPDRBXQTAKK-UHFFFAOYSA-N
rxn:2:72400:96010,Cc1cncc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)n1,VYLYZFBKHDKDSC-UHFFFAOYSA-N
rxn:2:99055:96010,CC(NCCc1cc(-c2cccnc2)on1)c1ccc(-c2ccsc2)cc1,NLMRBHZOFUODLW-UHFFFAOYSA-N
rxn:2:68028:142183,Cc1cc2cc(CNCC=N)ccc2s1,SZIQRKSUCPUOAE-UHFFFAOYSA-N
rxn:2:90327:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCCc1cnc[nH]1,FMBALTLNDVWUEF-UHFFFAOYSA-N
rxn:2:110765:85686,CC(NCC#Cc1cnc(N(C)C)nc1)c1csc(-c2cccs2)c1,NKBIXJLUSPMCAB-UHFFFAOYSA-N
rxn:2:141397:159185,C=C=CC(NC)c1ccc2ccccc2c1,PBXZDKZIXHGGFZ-UHFFFAOYSA-N
rxn:2:67187:171648,CC(Nc1cncnc1)c1ccc(-c2ccc3sccc3c2)o1,HFUZVHGMZJAZDG-UHFFFAOYSA-N
rxn:2:92382:170892,CC(Nc1cn[nH]c1)c1ccc(-c2cc3sccc3s2)s1,FKWJAGDAEMCWNK-UHFFFAOYSA-N
rxn:2:85204:142183,CC(C)CC[C@H](NCC=N)c1ccc2ccccc2c1,HLEAJCXJTFLVIY-SFHVURJKSA-N
rxn:2:158765:142183,N=CCNc1ccc2c(c1)Cc1ccccc1-2,TYTCZHCCPJLOAC-UHFFFAOYSA-N
rxn:2:106791:108959,Cc1cc(N2CCC(NC(C)c3ccc(-c4cccs4)cc3)C2)[nH]n1,KJYQOVWZVNQJGR-UHFFFAOYSA-N
rxn:2:92144:142183,N=CCN[C@H](CC1CC1)c1ccc2ccccc2c1,HUTZWAQJMPAANR-QGZVFWFLSA-N
rxn:2:137446:112875,O=S(=O)(F)c1ccc(C#CCNC2CC(C#Cc3cccs3)C2)cc1,VFMRVUSBYRDPCX-UHFFFAOYSA-N
rxn:2:82050:173095,CC(NCc1n[nH]c(=O)o1)c1ccc2sc3ccccc3c2c1,IYXSXRFTVSNRAB-UHFFFAOYSA-N
rxn:2:132762:120822,Cc1ccc(-c2ccc(C(C)N[C@@H](C)c3c[nH]nn3)cc2)s1,JUGKLNCVFFJIKD-ABLWVSNPSA-N
rxn:2:70440:107408,COc1ncc(CCCNC(C)c2ccc(-c3ccsc3)s2)cn1,XFDVXTJFXYOCGV-UHFFFAOYSA-N
rxn:2:73938:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC3c3cnn(C)c3C)cc2)cs1,OBZOLEAJXMRGRU-UHFFFAOYSA-N
rxn:2:71072:152898,CC(Cc1cn[nH]c1)NC1CCc2cc3ccccc3cc2C1,MSQXTMDHRZJPDJ-UHFFFAOYSA-N
rxn:2:89311:70192,Cc1ccc(OCCC(C)NCc2cn[nH]c2)c(C)c1,LHEVKSQOKNDYAY-UHFFFAOYSA-N
rxn:1:60111:5745,CCC(Oc1ccc(I)cc1)c1cn(I)nn1,NFVQNWIRFYSIOE-UHFFFAOYSA-N
rxn:2:166241:111147,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(-c2nccs2)cc1,WYVLEZCAZGHAKG-UHFFFAOYSA-N
rxn:2:145188:111147,CC(NCCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2nccs2)cc1,DKFUASSJUSNGIC-UHFFFAOYSA-N
rxn:2:114213:78077,CCC(Nc1c[nH][nH]c1=O)c1ccc(-c2cscc2C)s1,XMUYRAZDEWITGY-UHFFFAOYSA-N
rxn:2:114204:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCC#Cc1cnccn1,IVRJLWNRKMHZAP-UHFFFAOYSA-N
rxn:2:138592:138958,CC(NC1CC(C#Cc2cn[nH]c2)C1)c1ccc(-c2ccsc2)cc1,VTKCQHBBAAJRDH-UHFFFAOYSA-N
rxn:2:129600:170060,COc1ncc(C2CC2CNC(C)CCc2ccc(-c3csc(C)c3)cc2)cn1,DFKPNSRAKKOHAH-UHFFFAOYSA-N
rxn:2:141397:154787,CNC(C)c1ccc2sc(=S)[nH]c2c1,PTZQPKHITQXHLM-UHFFFAOYSA-N
rxn:2:97858:125117,Cc1ccc(-c2ccc(C(C)NCCc3cnc[nH]3)cc2)o1,LMSFPJIEJFVKQM-UHFFFAOYSA-N
rxn:2:69457:170892,CC(NCCc1cc(=O)[nH][nH]1)c1ccc(-c2cc3sccc3s2)s1,USHVTEGRYDFOSN-UHFFFAOYSA-N
rxn:2:135760:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCCS(=O)(=O)C(C)C,XIVDNGDGEDWUOY-UHFFFAOYSA-N
rxn:2:107531:171648,CC(NCc1nn[nH]n1)c1ccc(-c2ccc3sccc3c2)o1,SKTPGLXDVFUGHO-UHFFFAOYSA-N
rxn:2:101439:108959,COc1cnc(C#CCNC(C)c2ccc(-c3cccs3)cc2)nc1,UYWJTBMUWWHSQJ-UHFFFAOYSA-N
rxn:2:91220:154103,c1ccc2cc(C(Nc3ccoc3)c3cc[nH]c3)ccc2c1,UTEPERLHEAQFMH-UHFFFAOYSA-N
rxn:2:77560:78538,Cc1ccsc1-c1ccc(C(C)Nc2cnoc2)cc1,GFPKBQPZUYBJIC-UHFFFAOYSA-N
rxn:2:118218:108959,CC(NCCCc1cnc2cc[nH]c2c1)c1ccc(-c2cccs2)cc1,JCLQIESOPDNRAC-UHFFFAOYSA-N
rxn:2:77560:146828,CSCC(Nc1cnoc1)c1ccc2cc(C)ccc2c1,KWSBXWMMKCSNTN-UHFFFAOYSA-N
rxn:2:135072:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCCOc1ccon1,GKHMKULLMWROLO-UHFFFAOYSA-N
rxn:2:107531:68807,Cc1ccsc1-c1ccc(C(C)NCc2nn[nH]n2)s1,CVDLFOGLJVWRIV-UHFFFAOYSA-N
rxn:2:69022:78538,Cc1ccsc1-c1ccc(C(C)NCCCCc2ncc[nH]2)cc1,MVDZVWVUCFDPEE-UHFFFAOYSA-N
rxn:2:140908:166167,c1ccc2c3c(ccc2c1)CC(NCCCc1cnoc1)CC3,PTLUJRMKTHIYQW-UHFFFAOYSA-N
rxn:2:94771:97563,CCOc1ccc(C(CC)Nn2cnnc2)cc1C,VXPNTUBCYQUCLF-UHFFFAOYSA-N
rxn:2:131907:173095,CC(Nc1ncc(=O)[nH]n1)c1ccc2sc3ccccc3c2c1,NBYCLZOMIPWPNJ-UHFFFAOYSA-N
rxn:2:106758:138958,C[C@H](NC1CC(C#Cc2cn[nH]c2)C1)c1ccc(-c2cccs2)cc1,QPQBHGBTJUULIM-SHPPYHEDSA-N
rxn:2:167169:108959,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cccs2)cc1,WULIAFVFOQPJIC-UHFFFAOYSA-N
rxn:2:126579:128413,Cc1cc(C#CCNC(C)c2ccc3sc(C)nc3c2)cs1,FRYCUABWVSGENN-UHFFFAOYSA-N
rxn:2:79461:108959,CC(NCc1c[nH][nH]c1=O)c1ccc(-c2cccs2)cc1,DYUPLYODDZVMGQ-UHFFFAOYSA-N
rxn:2:113731:141988,Cc1cc(-c2ccc(C(C)NCCCc3cnc4[nH]ccc4c3)s2)cs1,QQAIHIYXKJWGMT-UHFFFAOYSA-N
rxn:2:93644:170548,CC(Nc1cn[nH]n1)c1cccc2cc3ccccc3cc12,CDSQTOYMZBPWLD-UHFFFAOYSA-N
rxn:2:139218:108959,CC(NCC#Cc1cnn(-c2cnccn2)c1)c1ccc(-c2cccs2)cc1,RYIPERQXQPZOOO-UHFFFAOYSA-N
rxn:2:134916:170858,C=C=CCNC(C)c1ccc(-c2cc(C)cs2)c(C)c1,HQYBUYYOMRSXSG-UHFFFAOYSA-N
rxn:2:105080:96010,CC(NCCc1cc[nH]c1)c1ccc(-c2ccsc2)cc1,ACPVOPIFXDFYRB-UHFFFAOYSA-N
rxn:2:101785:142183,CCC[C@@H](NCC=N)c1cccc2ccccc12,LIDYNMVOKRNXTR-MRXNPFEDSA-N
rxn:1:41918:3819,C[C@@H](N)c1cn(-c2ccc(Cl)cc2I)nn1,MPJUZNYTXBSTBY-ZCFIWIBFSA-N
rxn:2:167169:165512,Cc1ccsc1-c1ccc2c(c1)CCC2NCC#Cc1ccc2[nH]c(=O)sc2c1,CKRFDBGTHCLUAW-UHFFFAOYSA-N
rxn:2:75313:172618,Cc1ncc(CCCCNC(C)c2cc(-c3cc4sccc4s3)cs2)cn1,WDTPWRGODSXRTR-UHFFFAOYSA-N
rxn:2:112003:170892,COc1ccc(C#CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,KQGQTZPMOIOFCN-UHFFFAOYSA-N
rxn:2:70378:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCCCc1cc[nH]c1,OVCLTXHIDDUBIX-UHFFFAOYSA-N
rxn:2:130089:171246,Cc1cc(-c2ccc(-c3ccco3)cc2)ccc1C(C)NCCS(=O)(=O)[O-],LEIOWXBLQGNBDE-UHFFFAOYSA-M
rxn:2:141397:90501,CNC(Cc1ccc(C)c(C)c1)CC(C)C,QBSIHCNSRACUJD-UHFFFAOYSA-N
rxn:2:114506:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)Nc1cc(=O)[nH][nH]1,AUBUWVPSBNLFHK-UHFFFAOYSA-N
rxn:2:127187:170892,Cc1ccc(OCCCNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,MTNJUODEEIJJGE-UHFFFAOYSA-N
rxn:2:122351:169594,CC(Nc1c[nH]nn1)c1ccc2c(ccc3ccccc32)c1,ADYVTIMLPITHGQ-UHFFFAOYSA-N
rxn:2:80349:142183,Cc1ccc(C)c(C#CCNCC=N)c1,SKTHNXILLBYJKY-UHFFFAOYSA-N
rxn:2:120585:142183,CCCC[C@H](NCC=N)c1c(C)cc(C)cc1C,QRVJKMCEPZHVFX-HNNXBMFYSA-N
rxn:2:82914:142183,Cc1cc2ccc(NCC=N)cc2o1,DORFVOFGGSKBLP-UHFFFAOYSA-N
rxn:2:139123:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3ccc4ocnc4c3)cc2)s1,HHXYOCGPMUSFDN-UHFFFAOYSA-N
rxn:2:81194:170892,CC(NCCCCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cc3sccc3s2)s1,LKEUHOLGKHGNLW-UHFFFAOYSA-N
rxn:2:141397:159008,CNC(Cc1cc(C)cc(C)c1)c1ccccc1,VOOZFAKSSLPFAZ-UHFFFAOYSA-N
rxn:2:83170:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3ccncn3)c2)cc1C,GHXWHPZNXIAUFL-UHFFFAOYSA-N
rxn:2:122351:88103,COCC(Nc1c[nH]nn1)c1cc2ccccc2s1,CWQBGBSIUZJBMS-UHFFFAOYSA-N
rxn:2:73915:85686,COc1cc(CNC(C)c2csc(-c3cccs3)c2)[nH]n1,RFRJSQXWQQSMSD-UHFFFAOYSA-N
rxn:2:141397:172189,CNC1CCC(c2ccc(-c3csc(C)c3)cc2)CC1,KDQBZQDDKMCSEK-UHFFFAOYSA-N
rxn:2:144681:112875,O=c1[nH]c2ccc(C#CCCNC3CC(C#Cc4cccs4)C3)cc2o1,RZGGYVKJVFIGCK-UHFFFAOYSA-N
rxn:2:111985:78538,Cc1ccsc1-c1ccc(C(C)NCCCc2cc[nH]n2)cc1,AYJIJSVKILFZSC-UHFFFAOYSA-N
rxn:2:75016:142183,N=CCNc1cccc(C#Cc2cccs2)c1,AUAGVCYCAFOWRU-UHFFFAOYSA-N
rxn:2:76360:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3n[nH]nc3C)cc2)c1,WLARYCBOFNOSOS-UHFFFAOYSA-N
rxn:2:80519:129654,Cc1nc(-c2ccsc2)ccc1C(C)NCCCc1c[nH]c(=S)[nH]1,NOIAPAXMTMGHSP-UHFFFAOYSA-N
rxn:2:100083:108959,Cc1ncc(CCCNC(C)c2ccc(-c3cccs3)cc2)cn1,CZTFINBEVPTKFM-UHFFFAOYSA-N
rxn:2:156072:141988,Cc1cc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)oc4c3)s2)cs1,QBVSMAMDBFVZGQ-UHFFFAOYSA-N
rxn:2:141847:173095,CC(Nn1cnnn1)c1ccc2sc3ccccc3c2c1,QGPQJFUPCPWABT-UHFFFAOYSA-N
rxn:2:118177:96010,CC(NCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccsc2)cc1,JZMBMCXRCVXKRC-UHFFFAOYSA-N
rxn:2:131711:169412,Cc1csc(-c2ccc(CCC(C)NCCCCS(C)(=N)=O)cc2)c1,ZJSXSESWEPAMDS-UHFFFAOYSA-N
rxn:2:141397:81152,CCC(Cc1ccc2ccccc2c1)NC,YDZIIDKCAUGZBC-UHFFFAOYSA-N
rxn:2:131003:81152,CCC(Cc1ccc2ccccc2c1)NC1Cc2cn[nH]c2C1,FQJZSMDZFDQPDM-UHFFFAOYSA-N
rxn:2:70378:169412,Cc1csc(-c2ccc(CCC(C)NCCCCc3cc[nH]c3)cc2)c1,QFMIXXJMIKGEGV-UHFFFAOYSA-N
rxn:2:100097:94314,Cc1cccc2c(C(C)NC3CCC(CCN(C)C)CC3)csc12,QQJXDNWGESOAQL-UHFFFAOYSA-N
rxn:2:100318:135854,Cc1csc2sc(C(C)Nc3cn[nH]c(=O)n3)c(C)c12,KWDDUAQWUPBJRS-UHFFFAOYSA-N
rxn:2:92749:88103,COCC(Nc1nnn[nH]1)c1cc2ccccc2s1,IWZKRPAJMWCGKC-UHFFFAOYSA-N
rxn:2:126498:126659,Cc1ccc2sc(C(C)NCCCCc3ccoc3)cc2c1,VFXDJWYHYPRVAX-UHFFFAOYSA-N
rxn:2:124198:95801,Cc1cc(C(C)NCCC#Cc2ccsc2)ccc1-c1cc[nH]c1,DNIVQNXSTIHMEM-UHFFFAOYSA-N
rxn:2:136832:142183,N=CCN[C@@H](CC1CC1)c1ccc2ccccc2c1,HUTZWAQJMPAANR-KRWDZBQOSA-N
rxn:1:41918:5553,CC(N)c1cn(-c2ccc(Cl)cc2I)nn1,MPJUZNYTXBSTBY-UHFFFAOYSA-N
rxn:2:133307:170892,CC(NCCc1cn[nH]n1)c1ccc(-c2cc3sccc3s2)s1,MWKIRIFVDLHQQJ-UHFFFAOYSA-N
rxn:2:114168:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCCOc1cc[nH]n1,VLCXIWXECFXTDE-UHFFFAOYSA-N
rxn:2:114506:169856,CC(Nc1cc(=O)[nH][nH]1)c1cccc2c1sc1ccccc12,YIUZJEFDAXEUBU-UHFFFAOYSA-N
rxn:2:100318:141195,CCC(Nc1cn[nH]c(=O)n1)c1ccc(-c2sccc2C)cc1,VGWWCRAECFMMEM-UHFFFAOYSA-N
rxn:2:86811:140099,CCC(NC1CCC(CC2CCN(C)C2)CC1)c1ccc(-c2cccs2)s1,IBNIXGVGNOMESZ-UHFFFAOYSA-N
rxn:2:123785:170892,CC(NCCCCc1ccc2[nH]cnc2c1)c1ccc(-c2cc3sccc3s2)s1,XEWRKPMVXPVPEC-UHFFFAOYSA-N
rxn:2:132002:122855,CC(NC1CC(C2CCN(C)CC2)C1)c1ccc(-c2cccs2)s1,BWRMPAXIYIPVSM-UHFFFAOYSA-N
rxn:2:90327:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3cnc[nH]3)c2)cc1C,HKJAXKHEAHAPQE-UHFFFAOYSA-N
rxn:2:165709:142183,COc1ccc2c(c1)C(CNCC=N)c1cccc(C)c1-2,OGVZAASKZDNRQB-UHFFFAOYSA-N
rxn:2:90327:173095,CC(NCCCc1cnc[nH]1)c1ccc2sc3ccccc3c2c1,DLGARBISFVZCEP-UHFFFAOYSA-N
rxn:2:77560:172375,CC(Nc1cnoc1)c1ccc(-c2cc3ccccc3o2)c2c1OCO2,VOTKNPGNKHUMEW-UHFFFAOYSA-N
rxn:2:76625:129654,Cc1nc(-c2ccsc2)ccc1C(C)NCCC#Cc1cnc[nH]1,PGTQRRVLFZDWEA-UHFFFAOYSA-N
rxn:2:140189:173095,CC(Nc1ccc[nH]1)c1ccc2sc3ccccc3c2c1,KEFVITNRKXFIBD-UHFFFAOYSA-N
rxn:2:77440:169594,CC(Nc1cnon1)c1ccc2c(ccc3ccccc32)c1,QDTPUWPZHRDKDD-UHFFFAOYSA-N
rxn:2:166241:76379,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(-c2cscn2)cc1,PJAXETGFGRTQQP-UHFFFAOYSA-N
rxn:2:81212:88103,COCC(Nc1nnn[n-]1)c1cc2ccccc2s1,VCZZCGZFZSNCDJ-UHFFFAOYSA-N
rxn:2:136934:142183,Cc1cc2cc(CNCC=N)ccc2o1,IHZWHVZAOHWNLR-UHFFFAOYSA-N
rxn:2:150990:98873,Cc1n[nH]nc1C(Cc1ccc2[nH]ccc2c1)NC1CC1,MVQFNVSRFFFHHR-UHFFFAOYSA-N
rxn:2:85225:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3c[nH]c(C)c3C)cc2)cs1,QMBHSGKICGFOEL-UHFFFAOYSA-N
rxn:2:92382:146828,CSCC(Nc1cn[nH]c1)c1ccc2cc(C)ccc2c1,NAQBHFPIOFAYTN-UHFFFAOYSA-N
rxn:2:128445:166167,CC(Cc1cc[nH]n1)NC1CCc2c(ccc3ccccc23)C1,PWZRVGCEDNDUNH-UHFFFAOYSA-N
rxn:2:117731:94314,Cc1cccc2c(C(C)NCCc3ncn[nH]3)csc12,QQBPILNJDABGRY-UHFFFAOYSA-N
rxn:2:135826:142183,CCOc1ccc2cc(NCC=N)ccc2c1,HACPRQFOMXBWSC-UHFFFAOYSA-N
rxn:2:108076:146828,CSCC(Nc1c[nH]nc1C)c1ccc2cc(C)ccc2c1,YTHSESWDWYHIOG-UHFFFAOYSA-N
rxn:2:110352:171877,CCNC(c1ccccc1)c1ccc(-c2cccs2)cc1,OLOPQVJUAYJAEX-UHFFFAOYSA-N
rxn:2:135450:169412,Cc1csc(-c2ccc(CCC(C)NCCCCS(C)(=O)=O)cc2)c1,RNFHWJZATVGURV-UHFFFAOYSA-N
rxn:2:150747:114519,Cc1sccc1-c1ccc(C(C)NCC#Cc2ccc3[nH]c(=O)[nH]c3c2)cc1,BQEUZLGXYDPPBC-UHFFFAOYSA-N
rxn:2:140189:134351,COc1cc(C)c(C)cc1C(CN1CC1)Nc1ccc[nH]1,YGTNSHZCGIOIMW-UHFFFAOYSA-N
rxn:2:108134:67686,COc1cccc(C(CN2CC2)NC[C@H]2C[C@H]2C)c1,QCFSNEZZKGYJPO-OJDRRSAWSA-N
rxn:2:141819:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCc1n[nH]c(=O)o1,DUDSMWSWXXPLSR-UHFFFAOYSA-N
rxn:2:107485:142183,CCC(C)[C@@H](NCC=N)c1ccc2ccccc2c1,AKWQBTBHTLDKFC-LRHAYUFXSA-N
rxn:2:77560:134351,COc1cc(C)c(C)cc1C(CN1CC1)Nc1cnoc1,MCTHPGSMAKAROC-UHFFFAOYSA-N
rxn:2:160401:120181,CC(NCCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2ccsn2)cc1,XCDGIKIRZIZEJE-UHFFFAOYSA-N
rxn:2:150747:171392,O=c1[nH]c2ccc(C#CCNC3CCC(c4csc5ccccc45)CC3)cc2[nH]1,HZYVWRREHQOCNM-UHFFFAOYSA-N
rxn:2:132071:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCC1CC1c1cscn1,HYQCWSWQRPVZFG-UHFFFAOYSA-N
rxn:2:106940:170858,Cc1csc(-c2ccc(C(C)NCCc3ncno3)cc2C)c1,NUZUPVGWBBVXPK-UHFFFAOYSA-N
rxn:2:122351:146828,CSCC(Nc1c[nH]nn1)c1ccc2cc(C)ccc2c1,CDYXTBJNUOPONM-UHFFFAOYSA-N
rxn:2:150747:91563,Cc1cc(-c2ccco2)ccc1C(C)NCC#Cc1ccc2[nH]c(=O)[nH]c2c1,SQTBBHIAFIYNGC-UHFFFAOYSA-N
rxn:2:73576:169964,CCc1cccc(-c2ccc(CCC(C)NCCCc3c[nH][nH]c3=O)cc2)c1,FIJGDJGZHALVSR-UHFFFAOYSA-N
rxn:2:96968:109025,Cc1csc(-c2cc(C(C)NCC#Cc3cc4cn[nH]c4cn3)cs2)c1,MZQOEYCDTUZTQF-UHFFFAOYSA-N
rxn:2:106940:173095,CC(NCCc1ncno1)c1ccc2sc3ccccc3c2c1,XBNKGMXXAIGVSA-UHFFFAOYSA-N
rxn:2:67187:173095,CC(Nc1cncnc1)c1ccc2sc3ccccc3c2c1,PRRDHBPJVQGKCT-UHFFFAOYSA-N
rxn:2:120365:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NCCC#Cc1ccoc1,XAPZCRCFMYHCGW-UHFFFAOYSA-N
rxn:2:139798:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cnc4nc[nH]c4c3)cc2)cs1,UEEIZINTPVDFAL-UHFFFAOYSA-N
rxn:2:101355:96514,Cc1nc(-c2cc(C(C)NCC#Cc3cnc4cc[nH]c4c3)cs2)cs1,VRWANYLZLWBOAF-UHFFFAOYSA-N
rxn:2:129122:96010,COc1cc(C#CCCNC(C)c2ccc(-c3ccsc3)cc2)ccn1,VDNUKMGGOHGDHA-UHFFFAOYSA-N
rxn:2:91798:141988,Cc1cc(-c2ccc(C(C)NCC#Cc3ccc(OCCN(C)C)cc3)s2)cs1,RMGQPDIUXPZBDK-UHFFFAOYSA-N
rxn:2:153560:119697,COc1ccc(C)cc1C(C)NCC1CC1c1sc2ccccc2c1C,UXPDCHTWLPZCPB-UHFFFAOYSA-N
rxn:2:117456:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NCc1noc(-c2ccsc2)n1,YKAFDIGTHWXUMB-UHFFFAOYSA-N
rxn:1:60111:2836,NC1CC1c1ccc(-c2cn(I)nn2)cc1,UCPVAEXVCNODQP-UHFFFAOYSA-N
rxn:2:97024:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NCCC#Cc1cscn1,NTLXFSJAVILOBZ-UHFFFAOYSA-N
rxn:2:77560:170858,Cc1csc(-c2ccc(C(C)Nc3cnoc3)cc2C)c1,XYRXLZCEDZJHKS-UHFFFAOYSA-N
rxn:2:167592:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2cnc3[nH]c(=O)oc3c2)cc1,DRIPGGMJGGWRCQ-UHFFFAOYSA-N
rxn:2:92382:88359,CCC(Nc1cn[nH]c1)c1ccc(-c2cscc2C)cc1,BECNZJAYYXTECK-UHFFFAOYSA-N
rxn:2:124198:95635,FC1CC(c2ccccc2)CCC1NCCC#Cc1ccsc1,ZLJOFVADQAWOKB-UHFFFAOYSA-N
rxn:2:98374:169412,Cc1csc(-c2ccc(CCC(C)NCCCCc3[nH]cnc3C)cc2)c1,CUFZRMJYTZKKQN-UHFFFAOYSA-N
rxn:2:78725:70192,Cc1ccc(OCCC(C)Nc2cocn2)c(C)c1,DDYFQTUIIFWXJT-UHFFFAOYSA-N
rxn:2:108320:112875,Cc1ncc(C#CCCNC2CC(C#Cc3cccs3)C2)cn1,DAGIQTWCWFXXTP-UHFFFAOYSA-N
rxn:2:141397:171799,CNC(Cc1ccc(-c2ccoc2)cc1)c1ccccc1,DNFIHCHXJYBWIU-UHFFFAOYSA-N
rxn:2:74972:173095,CC(NCc1nnn[nH]1)c1ccc2sc3ccccc3c2c1,DWRDFXMVPBTGGQ-UHFFFAOYSA-N
rxn:2:124198:149524,C(#Cc1ccsc1)CCNC1CCN(c2ccc3[nH]ccc3c2)CC1,FPDZAHHCKMKDPA-UHFFFAOYSA-N
rxn:2:135072:148477,CC(NCCCOc1ccon1)c1ccc2c(c1)CCc1ccccc1-2,PYBSKEFASWZYDO-UHFFFAOYSA-N
rxn:2:162493:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3ccc4c(=O)[nH]cnc4c3)cc2)s1,QKIDKILWCSGHRO-UHFFFAOYSA-N
rxn:2:141397:164659,CNC[C@@H](c1ccc2ccccc2c1)C1CC1,CETMEDOFMPHDTC-MRXNPFEDSA-N
rxn:2:167592:139886,CC(NCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2ccco2)cc1,OFUCXWNXEXAFFO-UHFFFAOYSA-N
rxn:2:97900:173095,CC(Nc1n[nH]c2[nH]ncc12)c1ccc2sc3ccccc3c2c1,DSVKAUFSEDMXBT-UHFFFAOYSA-N
rxn:2:142622:96010,CC(NCCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccsc2)cc1,MRKMYNSBCJAPFZ-UHFFFAOYSA-N
rxn:2:146036:108959,CC(NCC1CC1c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cccs2)cc1,ZURFLOOHFBFWCI-UHFFFAOYSA-N
rxn:2:76625:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NCCC#Cc1cnc[nH]1,ISYGZRSPEORZLD-UHFFFAOYSA-N
rxn:2:120356:96010,Cc1nc(C#CCCNC(C)c2ccc(-c3ccsc3)cc2)c[nH]1,XEASRELAVRRUOP-UHFFFAOYSA-N
rxn:2:114506:78538,Cc1ccsc1-c1ccc(C(C)Nc2cc(=O)[nH][nH]2)cc1,JCMSLQODPADNGE-UHFFFAOYSA-N
rxn:2:130128:134351,COc1cc(C)c(C)cc1C(CN1CC1)Nc1cnsc1,LZHOONFKIRHQGG-UHFFFAOYSA-N
rxn:2:172848:142183,N=CCNC(c1ccc2c(c1)-c1ccccc1C2)C1CCC1,BNWRJKRJLRMESL-UHFFFAOYSA-N
rxn:2:93644:94292,CCC(Nc1cn[nH]n1)c1ccc(-c2sccc2C)s1,WLHUIHYQFLACBL-UHFFFAOYSA-N
rxn:2:99084:173095,CC(NCCCc1c[nH]nn1)c1ccc2sc3ccccc3c2c1,FJLCJEAAALBRFU-UHFFFAOYSA-N
rxn:2:135415:169851,CSc1ccc(-c2ccc(C(C)NCCCCc3c[nH]c(C)n3)cc2)cc1,PWNIFJHQHXZNIC-UHFFFAOYSA-N
rxn:2:125962:123882,C[C@@H](NC1CCC(CCN(C)C)CC1)c1ccc(-c2cccs2)cc1,SIIVRGAKQHZZQI-MPQSDHOMSA-N
rxn:2:138516:170892,Cc1[nH]cnc1CSCCNC(C)c1ccc(-c2cc3sccc3s2)s1,AQYAWEDMZQLJBV-UHFFFAOYSA-N
rxn:2:81212:146828,CSCC(Nc1nnn[n-]1)c1ccc2cc(C)ccc2c1,WJVVVKVWNDLWLJ-UHFFFAOYSA-N
rxn:2:117731:172618,CC(NCCc1ncn[nH]1)c1cc(-c2cc3sccc3s2)cs1,VIJOHKGGAFBBPN-UHFFFAOYSA-N
rxn:2:162493:108201,Cc1cccc(-c2ccc(C(C)NCC#Cc3ccc4c(=O)[nH]cnc4c3)s2)c1,VHLXUQBNKPBYJS-UHFFFAOYSA-N
rxn:2:141397:169400,CCC(NC)c1ccc(-c2ccc(C)s2)cc1C,FTTKFQLRURVMCO-UHFFFAOYSA-N
rxn:2:73951:154103,O=c1cc(NC(c2cc[nH]c2)c2ccc3ccccc3c2)cn[nH]1,LCPWCPNIODMDTH-UHFFFAOYSA-N
rxn:2:141397:70192,CNC(C)CCOc1ccc(C)cc1C,SQWJICXCLUPQPX-UHFFFAOYSA-N
rxn:2:127524:96010,Cc1nc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)c[nH]1,HYIKTMHMFPTTPO-UHFFFAOYSA-N
rxn:2:85757:103126,Cc1cccc(C2CC(NCCC#Cc3ccnc(C)c3)C2)c1,JSRSFWXNJUJPJI-UHFFFAOYSA-N
rxn:2:116191:91582,Cc1ccc(C2CC(NCCC#Cc3csc(C)c3)C2)cc1,HDTHBKKUQFFAEK-UHFFFAOYSA-N
rxn:2:162493:110041,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1csc(-c2ccsc2)c1,BKSNVSRVIMXMBY-UHFFFAOYSA-N
rxn:2:114429:170060,Cc1cc(-c2ccc(CCC(C)NCCC3CC3c3cn[nH]c3)cc2)cs1,NJTMJSSKSUVSPV-UHFFFAOYSA-N
rxn:2:76625:171069,CC(NCCC#Cc1cnc[nH]1)c1ccc(-c2csc3ccccc23)cc1,FARSKQXMPCFOCI-UHFFFAOYSA-N
rxn:2:70411:96010,CC(NCC1CC1c1cnc2cc[nH]c2c1)c1ccc(-c2ccsc2)cc1,NLWJHIJUFTUDKT-UHFFFAOYSA-N
rxn:2:78535:66791,Cc1csc(-c2csc(C(C)NCC#Cc3cnc4cn[nH]c4c3)c2)c1,NDQQGEAUZQIHNT-UHFFFAOYSA-N
rxn:2:94696:142183,COc1ccc([C@@H](NCC=N)C2CCC2)cc1C,BEZGVHHWJDMSOK-HNNXBMFYSA-N
rxn:2:97024:68807,Cc1ccsc1-c1ccc(C(C)NCCC#Cc2cscn2)s1,DSEAKAYXEVHQTD-UHFFFAOYSA-N
rxn:2:139383:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3cn(C)cn3)cc2)cs1,ZTLWHLJAAQPDET-UHFFFAOYSA-N
rxn:2:162501:165738,Cc1cc(-c2ccc(CCC(C)NCc3ccc4nc(-c5cccnc5)oc4c3)cc2)cnc1C,LMXXKEKCQOMJIF-UHFFFAOYSA-N
rxn:2:108880:126659,Cc1ccc2sc(C(C)N[C@@H]3C[C@H]3c3c[nH]cn3)cc2c1,OVHMHAOPYLSRGS-HIDCPEKUSA-N
rxn:2:162493:126659,Cc1ccc2sc(C(C)NCC#Cc3ccc4c(=O)[nH]cnc4c3)cc2c1,WDWYTEBKRXMEIU-UHFFFAOYSA-N
rxn:2:97024:159692,C(#Cc1cscn1)CCNC1CCc2cc(-c3cccs3)ccc21,BNIMVJKQUMTCGI-UHFFFAOYSA-N
rxn:2:122923:120822,Cc1ccc(-c2ccc(C(C)NCCCc3ccc4[nH]c(=O)[nH]c4c3)cc2)s1,DYKUIJBXTXSBLL-UHFFFAOYSA-N
rxn:2:106758:130974,C[C@H](NC1CC(COc2cnccn2)C1)c1ccc(-c2cccs2)cc1,WGBUELRBPGTDBG-LYGPFTKASA-N
rxn:2:138255:96010,CC(N[C@H]1CC[C@@H](CCN(C)C)CC1)c1ccc(-c2ccsc2)cc1,YUVPFCYNXVMBSB-GHBYTBKJSA-N
rxn:2:77472:108959,CC(NCCc1ccc2nc[nH]c2c1)c1ccc(-c2cccs2)cc1,RRQMANMYMVXVJS-UHFFFAOYSA-N
rxn:2:72890:169412,Cc1csc(-c2ccc(CCC(C)NCCCCc3c[nH]cn3)cc2)c1,MQPDEIVBGZWBOM-UHFFFAOYSA-N
rxn:1:65513:5553,CC(N)c1cn(-c2ccc(I)cc2)nn1,DYPBCGVBWFFTEL-UHFFFAOYSA-N
rxn:2:104011:107408,CC(NCC#Cc1ccc(N2CCN(C)CC2)cc1)c1ccc(-c2ccsc2)s1,RLVMTEGXDJBOSM-UHFFFAOYSA-N
rxn:2:91831:108959,CC(NCCCc1cc2cn[nH]c2cn1)c1ccc(-c2cccs2)cc1,QIELTCHYGAZDAW-UHFFFAOYSA-N
rxn:2:89902:113380,CC(NC1CCC(Oc2cnccn2)CC1)c1ccc(-c2cccs2)s1,SPVVDDQSSBLCDR-UHFFFAOYSA-N
rxn:2:160037:98873,c1ccc2c(C(NC3CC3)c3cn[nH]c3)csc2c1,FYQKCBKIRMIVFQ-UHFFFAOYSA-N
rxn:2:83170:78538,Cc1ccsc1-c1ccc(C(C)NCCCc2ccncn2)cc1,AACDALSZBWLPAD-UHFFFAOYSA-N
rxn:2:94771:133871,CSCC(Nn1cnnc1)c1ccc2c(c1)CCC2,ABLWSEBDHSJPFE-UHFFFAOYSA-N
rxn:2:162493:76379,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2cscn2)cc1,VAEGZDBVBLZDDU-UHFFFAOYSA-N
rxn:2:132131:78538,Cc1ccsc1-c1ccc(C(C)NCCCc2ncno2)cc1,TXWQMPWHYYRYGW-UHFFFAOYSA-N
rxn:2:106940:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCc1ncno1,XFBBNMZSLYBYNW-UHFFFAOYSA-N
rxn:2:141847:146828,CSCC(Nn1cnnn1)c1ccc2cc(C)ccc2c1,FXTWAMBTQKQHGY-UHFFFAOYSA-N
rxn:2:110352:170954,CCNC(c1ccccc1)c1ccc2c3c(cccc13)CC2,JUSOFCQPGIZHAP-UHFFFAOYSA-N
rxn:2:67562:110041,CC(NCCCc1cnc2cn[nH]c2c1)c1csc(-c2ccsc2)c1,HCOOPHYTRUYBGQ-UHFFFAOYSA-N
rxn:2:150747:161103,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc2c(c1)Cc1ccccc1-2,DKNRUJJBUSUOID-UHFFFAOYSA-N
rxn:2:122353:112875,CS(=O)(=O)c1cccc(C#CCCNC2CC(C#Cc3cccs3)C2)c1,JIKQMQIJVBBTCK-UHFFFAOYSA-N
rxn:2:125874:112875,O=c1[nH]c2ccc(CCCNC3CC(C#Cc4cccs4)C3)cc2s1,MWUZJAUPKKNXCI-UHFFFAOYSA-N
rxn:2:91779:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3ccc4[nH]c(=O)oc4c3)cc2)cs1,UERNQQYXPTYXMN-UHFFFAOYSA-N
rxn:2:137922:141988,CCOc1ncc(C#CCNC(C)c2ccc(-c3csc(C)c3)s2)cn1,SQFCRSRZUFEPEA-UHFFFAOYSA-N
rxn:2:89554:96514,Cc1nc(-c2cc(C(C)NCC#Cc3cnc4nc[nH]c4c3)cs2)cs1,BJUAVJVJFLDABN-UHFFFAOYSA-N
rxn:1:41723:23723,Fc1ccc(-n2cc(C3C4CNCC43)nn2)c(I)c1,XXPIYXRFXOFILT-UHFFFAOYSA-N
rxn:2:72856:108959,Cc1cc2cc(CNC(C)c3ccc(-c4cccs4)cc3)cnc2[nH]1,MASYDAAXFAYHCT-UHFFFAOYSA-N
rxn:2:67624:96010,CC(NC1CN(c2cnccn2)C1)c1ccc(-c2ccsc2)cc1,PUVOWORZBSIBCP-UHFFFAOYSA-N
rxn:2:110093:108959,CC(NCCOc1cccc(-c2ncn[nH]2)c1)c1ccc(-c2cccs2)cc1,DDZPELRTCPYRRH-UHFFFAOYSA-N
rxn:2:124198:141122,C(#Cc1ccsc1)CCNC1CC(c2ccc3c(c2)OCCO3)C1,KULPPKGXGOHORP-UHFFFAOYSA-N
rxn:2:94771:111053,CC(Nn1cnnc1)c1ccc2ccccc2c1,UNHGZKOKNSHEGX-UHFFFAOYSA-N
rxn:2:91909:104330,Cc1cscc1C#CCNC(C)c1ccc(-c2cc[nH]c2)cc1C,VKTMLQWDELWNDH-UHFFFAOYSA-N
rxn:2:76009:122855,COc1cc(C#CCNC(C)c2ccc(-c3cccs3)s2)ncn1,QWAAXTABGZBAFP-UHFFFAOYSA-N
rxn:2:125751:172618,CC(NCC#Cc1cscn1)c1cc(-c2cc3sccc3s2)cs1,DFQKMHVHSLUWQZ-UHFFFAOYSA-N
rxn:2:110352:108245,CCNC(CCc1ccccc1C)C1CCCCC1,PLVOZBJNJAEBHQ-UHFFFAOYSA-N
rxn:2:103818:108959,CC(NCCCc1cnc2[nH]ncc2c1)c1ccc(-c2cccs2)cc1,OFAGSENKCWRVIY-UHFFFAOYSA-N
rxn:1:41723:11753,NCC(O)c1cn(-c2ccc(F)cc2I)nn1,NPSQBSZXMPNNLW-UHFFFAOYSA-N
rxn:2:83885:107408,CC(NCCCCc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2ccsc2)s1,DFBGXHTZUQDITK-UHFFFAOYSA-N
rxn:2:125874:109025,Cc1csc(-c2cc(C(C)NCCCc3ccc4[nH]c(=O)sc4c3)cs2)c1,CJWFIJYWKSLIHK-UHFFFAOYSA-N
rxn:2:114522:169412,Cc1csc(-c2ccc(CCC(C)NCCC#Cc3cn(C)cn3)cc2)c1,CHJHUVSHWUBDFT-UHFFFAOYSA-N
rxn:2:136620:170892,CCCOc1ccc(CNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,FSRMWVLMDDGGLO-UHFFFAOYSA-N
rxn:2:70821:141929,Cc1csc(N2CCC(Nc3ccc(OC4CCN(C5CCC5)CC4)cc3)CC2)n1,LAPHBBUQAQEAFQ-UHFFFAOYSA-N
rxn:2:156072:133087,Cc1cscc1-c1ccc(C(C)NCC#Cc2ccc3[nH]c(=O)oc3c2)nc1,VXVZDBDCJFWJGT-UHFFFAOYSA-N
rxn:2:102522:68807,COc1ccc(C#CCNC(C)c2ccc(-c3sccc3C)s2)nn1,XAVXGKCIJHWPHM-UHFFFAOYSA-N
rxn:2:135058:169412,Cc1csc(-c2ccc(CCC(C)NCCc3csnn3)cc2)c1,LPYUBUQFEVUGNT-UHFFFAOYSA-N
rxn:2:79984:143660,CC(Nc1ccnnc1)c1cc2c(ccc3ccccc32)o1,PTYLTOPCOWYLHO-UHFFFAOYSA-N
rxn:2:131953:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCCc3nnn[nH]3)c2)cc1C,AIDAZGSXVMWKAW-UHFFFAOYSA-N
rxn:2:93644:91563,Cc1cc(-c2ccco2)ccc1C(C)Nc1cn[nH]n1,VWNRAPQHCQDCAQ-UHFFFAOYSA-N
rxn:2:124198:113546,Cc1ccc(C2CCC(NCCC#Cc3ccsc3)C2)cc1,GEBGGCJJOOSOHC-UHFFFAOYSA-N
rxn:2:105340:172375,CC(NCCS(=O)(=O)F)c1ccc(-c2cc3ccccc3o2)c2c1OCO2,RCKOSZCBJGNEFX-UHFFFAOYSA-N
rxn:2:130225:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCc1cnco1,GTSUCVXPTALGRD-UHFFFAOYSA-N
rxn:2:115896:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NC1CCc2conc21,ZDHYQRVIFPBOMX-UHFFFAOYSA-N
rxn:2:74972:170060,Cc1cc(-c2ccc(CCC(C)NCc3nnn[nH]3)cc2)cs1,OZYQRIADJMIBPJ-UHFFFAOYSA-N
rxn:2:167169:143698,O=c1[nH]c2ccc(C#CCNC3CC(c4ccc5ccccc5c4)C3)cc2s1,ULWFDTJHDNOVHW-UHFFFAOYSA-N
rxn:2:69663:78538,Cc1ccsc1-c1ccc(C(C)NCCCc2ccccn2)cc1,MWZIQMCJQOOGQI-UHFFFAOYSA-N
rxn:2:98861:96010,CC(NC1CN(c2ccccn2)C1)c1ccc(-c2ccsc2)cc1,VNOHSAYIFRSBJA-UHFFFAOYSA-N
rxn:2:110768:96514,Cc1nc(-c2cc(C(C)NCC#Cc3cnc4[nH]ncc4c3)cs2)cs1,HBBYWBYVVWAGRH-UHFFFAOYSA-N
rxn:2:135415:170060,Cc1nc(CCCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)c[nH]1,MIIVWEWWRRZYIF-UHFFFAOYSA-N
rxn:2:117571:110334,Cc1ccc2cc(C(C)Nc3cc[nH]n3)ccc2c1,HTGYZOXJEUJGMF-UHFFFAOYSA-N
rxn:2:97024:137603,Cc1cccc(C2CCC(NCCC#Cc3cscn3)C2)c1,JEXAOWCDIYLDOT-UHFFFAOYSA-N
rxn:2:97900:68807,Cc1ccsc1-c1ccc(C(C)Nc2n[nH]c3[nH]ncc23)s1,OITPFOZQSFOPPC-UHFFFAOYSA-N
rxn:2:87295:67686,COc1cccc(C(CN2CC2)NC[C@@H]2C[C@H]2C)c1,QCFSNEZZKGYJPO-SCYXSXAHSA-N
rxn:2:135125:127220,COc1ncc(C#CCNC(C)c2csc(-c3ccc(C)s3)c2)cn1,NCSUZEKYQQVPRS-UHFFFAOYSA-N
rxn:2:117731:146828,CSCC(NCCc1ncn[nH]1)c1ccc2cc(C)ccc2c1,DXPCMHNGCDBDRF-UHFFFAOYSA-N
rxn:2:162493:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ccc3c(=O)[nH]cnc3c2)cc1,QHGYLWLCDAOUOV-UHFFFAOYSA-N
rxn:2:96712:143698,c1ccc2cc(C3CC(NCCCc4ccsn4)C3)ccc2c1,BXNOXGXYLANPQA-UHFFFAOYSA-N
rxn:2:144636:173095,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc2sc3ccccc3c2c1,IOHMMYHCHJSLHX-UHFFFAOYSA-N
rxn:2:84871:108959,CC(NCCC1CC1c1cnccn1)c1ccc(-c2cccs2)cc1,SNMJNPZBZMCHJU-UHFFFAOYSA-N
rxn:2:114429:170892,CC(NCCC1CC1c1cn[nH]c1)c1ccc(-c2cc3sccc3s2)s1,PQWKNMIPLUPKQG-UHFFFAOYSA-N
rxn:2:95795:173095,Cc1cnc(CCCNC(C)c2ccc3sc4ccccc4c3c2)cn1,VEUBPNDOYFJWMR-UHFFFAOYSA-N
rxn:2:97024:142724,COc1ccc2cc(CCC(C)NCCC#Cc3cscn3)ccc2c1,PDVQUSTVSCZMEW-UHFFFAOYSA-N
rxn:1:41711:28663,CC(C)(CCN)c1cn(-c2ccc(I)cc2Br)nn1,RAPAMWLSFMZYSA-UHFFFAOYSA-N
rxn:2:74393:170828,CC(NCc1ncno1)c1ccc(-c2ccc3sccc3c2)s1,JRINSZOGZJLUHF-UHFFFAOYSA-N
rxn:2:65963:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCOCc1cocn1,NOMOAAXPEYMIMJ-UHFFFAOYSA-N
rxn:2:84839:85686,COc1cc(C#CCNC(C)c2csc(-c3cccs3)c2)ccn1,LJMMKCWYIDSTSW-UHFFFAOYSA-N
rxn:2:87202:120822,Cc1ccc(-c2ccc(C(C)NCCc3cn[nH]c3)cc2)s1,KBGVGMULODNPGM-UHFFFAOYSA-N
rxn:2:126579:129880,Cc1cc(C#CCNC(C)c2ccc(-c3cccs3)nc2C)cs1,XPYJGDZMUAKEBK-UHFFFAOYSA-N
rxn:2:68784:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3nccn3C)cc2)cs1,KAUAOHHCMKQHEH-UHFFFAOYSA-N
rxn:2:83170:120822,Cc1ccc(-c2ccc(C(C)NCCCc3ccncn3)cc2)s1,XVNDNAUHVJJTDO-UHFFFAOYSA-N
rxn:2:113171:110041,CC(NCCCc1cnn[nH]1)c1csc(-c2ccsc2)c1,FAGWCDNHKVEVJX-UHFFFAOYSA-N
rxn:2:75313:170892,Cc1ncc(CCCCNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,FSHCDOFQPCGSKK-UHFFFAOYSA-N
rxn:2:127086:78538,Cc1ncc(C#CCNC(C)c2ccc(-c3sccc3C)cc2)cn1,DFMKOSUUHQOLPR-UHFFFAOYSA-N
rxn:2:85122:94314,Cc1cccc2c(C(C)NCCc3c[nH]nn3)csc12,GADXOHTWKQHFAI-UHFFFAOYSA-N
rxn:2:77440:130267,CC(Nc1cnon1)c1ccc2ccsc2c1,CZYOJOHISLLYKG-UHFFFAOYSA-N
rxn:2:139105:159692,C(#Cc1ncc[nH]1)CCNC1CCc2cc(-c3cccs3)ccc21,XXDXOIQTUSNYEE-UHFFFAOYSA-N
rxn:2:130595:142183,CC(C)C[C@H](NCC=N)c1ccc2ccccc2c1,GMKFKDCNUBUDRS-KRWDZBQOSA-N
rxn:2:104885:153366,CC(NC1CC(Cc2nncn2CC2CCCO2)C1)n1ncc2c(-c3ccc4c(c3)CCC4=O)cccc21,QGQULQVGQWFFIJ-UHFFFAOYSA-N
rxn:2:113672:170060,Cc1cc(-c2ccc(CCC(C)NCCC3CC3c3cc[nH]c3)cc2)cs1,RBXVIJMSXQDXEW-UHFFFAOYSA-N
rxn:2:70411:108959,CC(NCC1CC1c1cnc2cc[nH]c2c1)c1ccc(-c2cccs2)cc1,VWRFXPCKNXAYFV-UHFFFAOYSA-N
rxn:2:150747:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCC#Cc1ccc2[nH]c(=O)[nH]c2c1,WCUAKDMLERTFBU-UHFFFAOYSA-N
rxn:2:137534:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCc1nnco1,XXISFCXLMSGUPB-UHFFFAOYSA-N
rxn:2:131733:108959,CC(NCc1nc(=N)[nH][nH]1)c1ccc(-c2cccs2)cc1,RGKNWMSNPXKRPE-UHFFFAOYSA-N
rxn:2:110222:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3cnc4[nH]c(=O)oc4c3)cc2)c1,VACYORYRIIHQNQ-UHFFFAOYSA-N
rxn:2:141204:118131,Cc1cnc(C2CC(NCCC#Cc3ccc4[nH]ccc4c3)C2)s1,ZGOYBWDCSMVIHN-UHFFFAOYSA-N
rxn:2:77440:117186,CC(Nc1cnon1)c1ccc2sccc2c1,QYXFLSXCBMUUJB-UHFFFAOYSA-N
rxn:2:103393:142183,Cc1cc(C)cc(CONCC=N)c1,YTRZHRXSWURXAD-UHFFFAOYSA-N
rxn:2:83604:126829,CCCCCC(NCC1N=N1)c1ccc(C)cc1C,BTVGHDNJUAPGAY-UHFFFAOYSA-N
rxn:2:110222:150277,COc1csc(-c2ccc(CCC(C)NCCCc3cnc4[nH]c(=O)oc4c3)cc2)c1,ZWBKRIASZKISHG-UHFFFAOYSA-N
rxn:2:107651:146828,CSCC(Nc1cnco1)c1ccc2cc(C)ccc2c1,OGUTXXVSVWEBIB-UHFFFAOYSA-N
rxn:2:114509:170892,CC(NCC#Cc1cnn(C)c1)c1ccc(-c2cc3sccc3s2)s1,GGTHWTUASHWLAX-UHFFFAOYSA-N
rxn:2:137446:102373,Cc1ccc(C2CC(NCC#Cc3ccc(S(=O)(=O)F)cc3)C2)s1,BBYUIMFQXVXWPC-UHFFFAOYSA-N
rxn:2:137136:170892,COc1ncc(C#CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,CSEABXFBXAEIOC-UHFFFAOYSA-N
rxn:2:129963:142183,CCCC[C@@H](NCC=N)c1c(C)cc(C)cc1C,QRVJKMCEPZHVFX-OAHLLOKOSA-N
rxn:2:110222:122855,CC(NCCCc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2cccs2)s1,JQYNDIOZAIJLMP-UHFFFAOYSA-N
rxn:2:141397:171336,CNC(C)c1cc(-c2ccc(-c3ccccc3)s2)cs1,BOERMNHJPIYORH-UHFFFAOYSA-N
rxn:2:69933:123403,Cc1ccc2cc(C(C)NCCCC3CCCN(C)CC3)sc2c1,DHDRNVLBZUIOQQ-UHFFFAOYSA-N
rxn:2:70378:113963,CC(NCCCCc1cc[nH]c1)c1cc(-c2cc[nH]c2)cs1,CSQCEZVRATVLEP-UHFFFAOYSA-N
rxn:2:117045:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3cc[nH]n3)cc2)s1,MJMCBVZQGGHJDY-UHFFFAOYSA-N
rxn:2:71135:96010,Cc1cc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)ccn1,GZEUMYIPEFBFHM-UHFFFAOYSA-N
rxn:2:138255:101283,CN(C)CC[C@H]1CC[C@@H](NC2CC(c3cccs3)C2)CC1,AEUYSCPUILGBDN-IFFWXDDJSA-N
rxn:2:92934:66791,Cc1csc(-c2csc(C(C)NCC#Cc3ccc4[nH]nnc4c3)c2)c1,ISSQASYMXFLHGE-UHFFFAOYSA-N
rxn:2:141544:127220,Cc1ccc(-c2cc(C(C)NCCSc3ncn[nH]3)cs2)s1,GDCIFOXJDYCFJR-UHFFFAOYSA-N
rxn:2:137446:103126,Cc1cccc(C2CC(NCC#Cc3ccc(S(=O)(=O)F)cc3)C2)c1,UQZBRBWYUVZITG-UHFFFAOYSA-N
rxn:1:63670:31376,CNCCc1ccc(-c2cn(Cc3ccc(Br)s3)nn2)c(Cl)c1,FKEYLVGBNWWIEF-UHFFFAOYSA-N
rxn:2:99558:84225,CCc1ccc(-c2ccc(C(C)NCCCc3ccc(OC)nn3)s2)s1,FEGRLHKZHDTIOG-UHFFFAOYSA-N
rxn:2:113668:108959,Cc1c[nH]c(C2CC(NC(C)c3ccc(-c4cccs4)cc3)C2)n1,YCBZFXCOCPKDSX-UHFFFAOYSA-N
rxn:2:128825:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3cc[nH]c3)c2)cc1C,NZJPMLBXPHERMK-UHFFFAOYSA-N
rxn:2:124992:102419,CCCC(Cc1ccc2ccccc2c1)NC(CC)COc1nonc1C,WEPLYJPSXJJVLO-UHFFFAOYSA-N
rxn:2:127261:170060,Cc1cc(-c2ccc(CCC(C)NCCSCc3[nH]cnc3C)cc2)cs1,OFEVTOQXIFJIRU-UHFFFAOYSA-N
rxn:2:97063:120822,Cc1ccc(-c2ccc(C(C)NCCSc3cnn[nH]3)cc2)s1,MBRUJEJRCQZXLK-UHFFFAOYSA-N
rxn:2:137816:125117,CSc1ncc(C#CCNC(C)c2ccc(-c3ccc(C)o3)cc2)cn1,CIUUNCAJEQNWMB-UHFFFAOYSA-N
rxn:2:162493:111147,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2nccs2)cc1,ZSLKBHXBNQUMBZ-UHFFFAOYSA-N
rxn:2:137743:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NCCCCc1ccsc1,NIPUDQXCMFAPEJ-UHFFFAOYSA-N
rxn:2:99558:85686,COc1ccc(CCCNC(C)c2csc(-c3cccs3)c2)nn1,LSQJZRSFKHQZDE-UHFFFAOYSA-N
rxn:2:89509:169856,CC(Nc1cncc(=O)[nH]1)c1cccc2c1sc1ccccc12,YDPVQNDFFSXLDF-UHFFFAOYSA-N
rxn:2:111746:108959,CC(NCCCCc1cnccn1)c1ccc(-c2cccs2)cc1,DJFSRAMESPQRHU-UHFFFAOYSA-N
rxn:2:164315:85686,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1csc(-c2cccs2)c1,UQKYQTFYUJPBDC-UHFFFAOYSA-N
rxn:2:137922:170060,CCOc1ncc(C#CCNC(C)CCc2ccc(-c3csc(C)c3)cc2)cn1,KGQLTEJVLPPIBL-UHFFFAOYSA-N
rxn:2:156072:91563,Cc1cc(-c2ccco2)ccc1C(C)NCC#Cc1ccc2[nH]c(=O)oc2c1,BUJNKFSHDYXLSH-UHFFFAOYSA-N
rxn:2:76009:107408,COc1cc(C#CCNC(C)c2ccc(-c3ccsc3)s2)ncn1,AMZDSQHXIJHHFY-UHFFFAOYSA-N
rxn:2:116090:67981,CCCc1ccc(CN(C)C2CCC(NC3CN(C)CC3c3ccc4c(c3)CCO4)CC2)cc1,MQSOEBYYSAOMIA-UHFFFAOYSA-N
rxn:2:107531:172618,CC(NCc1nn[nH]n1)c1cc(-c2cc3sccc3s2)cs1,LWOQGASJZPIJRM-UHFFFAOYSA-N
rxn:2:144681:172076,O=c1[nH]c2ccc(C#CCCNC3CCC(c4nc(-c5cccs5)cs4)CC3)cc2o1,BNQHITUWKOLNOP-UHFFFAOYSA-N
rxn:2:111975:94314,Cc1cccc2c(C(C)NC3Cc4ccnn4C3)csc12,QSCYMLZPNSBQSF-UHFFFAOYSA-N
rxn:2:107481:112875,CCN(C)Cc1cc(C#CCNC2CC(C#Cc3cccs3)C2)cs1,KXLKNZJNNIMVSJ-UHFFFAOYSA-N
rxn:2:141847:88103,COCC(Nn1cnnn1)c1cc2ccccc2s1,HMZKKPYZDRSVAA-UHFFFAOYSA-N
rxn:2:92382:108959,CC(Nc1cn[nH]c1)c1ccc(-c2cccs2)cc1,DWDZPMKYHWXYNF-UHFFFAOYSA-N
rxn:2:113171:166167,c1ccc2c3c(ccc2c1)CC(NCCCc1cnn[nH]1)CC3,WIXIIOYVLVXXQO-UHFFFAOYSA-N
rxn:2:141847:170548,CC(Nn1cnnn1)c1cccc2cc3ccccc3cc12,NQYIXQATVQBYGZ-UHFFFAOYSA-N
rxn:1:45226:661,N#Cc1cn(CCC#Cc2ccc(Cl)cc2Br)nn1,JAWDTHQTZVGQLZ-UHFFFAOYSA-N
rxn:2:76644:142183,Cc1ccccc1C#CCNCC=N,SIGNHMJSZPKWNA-UHFFFAOYSA-N
rxn:2:88299:85300,Cc1cnc(C#CCCNC2CC3(Cc4ccccc4C3)C2)s1,JRTATUSHXMONGM-UHFFFAOYSA-N
rxn:2:112830:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCCCc1ncccn1,BKLVKQKEZDJLIV-UHFFFAOYSA-N
rxn:2:156072:138996,Cc1cc(C(C)NCC#Cc2ccc3[nH]c(=O)oc3c2)ccc1-c1nccs1,LBIOPEZQTWWIDB-UHFFFAOYSA-N
rxn:2:110392:170892,Cc1c[nH]nc1CCNC(C)c1ccc(-c2cc3sccc3s2)s1,BPPPTZDZBPWQOI-UHFFFAOYSA-N
rxn:2:66358:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3ccn[nH]3)cc2)cs1,CCFDPJICOJNJRM-UHFFFAOYSA-N
rxn:2:110352:172933,CCNC(c1c[nH]c2c(CC)cccc12)C1CCCCC1,RZJCQKADWGDUAG-UHFFFAOYSA-N
rxn:2:104011:108959,CC(NCC#Cc1ccc(N2CCN(C)CC2)cc1)c1ccc(-c2cccs2)cc1,HKOOVLUOOSSKME-UHFFFAOYSA-N
rxn:2:96968:108959,CC(NCC#Cc1cc2cn[nH]c2cn1)c1ccc(-c2cccs2)cc1,RGAUKKKFLOFAEH-UHFFFAOYSA-N
rxn:2:102546:108959,CC(NC12CCC(COC1)C2)c1ccc(-c2cccs2)cc1,IQGNBSVHKBBKHW-UHFFFAOYSA-N
rxn:2:92660:170060,CSCc1ncc(CCNC(C)CCc2ccc(-c3csc(C)c3)cc2)cn1,KETCZNDNIDUDET-UHFFFAOYSA-N
rxn:2:82511:96010,CC(NCCC#Cc1ccc2[nH]cnc2c1)c1ccc(-c2ccsc2)cc1,SUHXKYUOIDXJIK-UHFFFAOYSA-N
rxn:2:76625:78538,Cc1ccsc1-c1ccc(C(C)NCCC#Cc2cnc[nH]2)cc1,NACQTNNNBFHBCJ-UHFFFAOYSA-N
rxn:2:102522:108959,COc1ccc(C#CCNC(C)c2ccc(-c3cccs3)cc2)nn1,MJMITUZPRSFSPX-UHFFFAOYSA-N
rxn:2:141238:169412,Cc1csc(-c2ccc(CCC(C)NCCC(C)Sc3nnc[nH]3)cc2)c1,UTSBEIMPKISLFI-UHFFFAOYSA-N
rxn:2:76896:91582,Cc1ccc(C2CC(NCCC#Cc3cccnc3)C2)cc1,LTFBXSRWEHBOOW-UHFFFAOYSA-N
rxn:2:167169:139599,Cc1ccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)s2)cc1,BCUTYLANYVMKJS-UHFFFAOYSA-N
rxn:2:108320:96010,Cc1ncc(C#CCCNC(C)c2ccc(-c3ccsc3)cc2)cn1,NCSSTHFWAIHXNW-UHFFFAOYSA-N
rxn:2:120356:102373,Cc1nc(C#CCCNC2CC(c3ccc(C)s3)C2)c[nH]1,QWJYVJMPIQZHOE-UHFFFAOYSA-N
rxn:1:59830:31376,CNCCc1ccc(-c2cn(Cc3ccc(Br)o3)nn2)c(Cl)c1,PWTZVIOPXULVMO-UHFFFAOYSA-N
rxn:2:138076:122855,CC(NCCc1ccon1)c1ccc(-c2cccs2)s1,NUYPEDHNTOKWBZ-UHFFFAOYSA-N
rxn:2:104688:91563,Cc1cc(-c2ccco2)ccc1C(C)NC1CC(CCS(C)(=N)=O)C1,VCFYVGBCGSVTPI-UHFFFAOYSA-N
rxn:2:162493:166934,COc1cccc2cc(C(C)NCC#Cc3ccc4c(=O)[nH]cnc4c3)ccc12,CBMRNAKNIFBBLP-UHFFFAOYSA-N
rxn:2:87066:169305,CCOCCCNC(C)c1ccc(-c2cc3ccccc3o2)cc1C,WOGSILFVWOXFNM-UHFFFAOYSA-N
rxn:2:110765:107408,CC(NCC#Cc1cnc(N(C)C)nc1)c1ccc(-c2ccsc2)s1,YTNBHXNMXJWIPW-UHFFFAOYSA-N
rxn:2:137136:112875,COc1ncc(C#CCCNC2CC(C#Cc3cccs3)C2)cn1,KRTVIMPOEQTYHZ-UHFFFAOYSA-N
rxn:2:87971:96010,CC(N[C@H]1CC[C@H](CCN(C)C)CC1)c1ccc(-c2ccsc2)cc1,YUVPFCYNXVMBSB-VEUUYNJISA-N
rxn:2:150747:120038,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccncc2)cc1,XITGVWCZXSIVTD-UHFFFAOYSA-N
rxn:2:74139:120822,Cc1ccc(-c2ccc(C(C)NCCCc3csnn3)cc2)s1,KOQCMDXOSUHALB-UHFFFAOYSA-N
rxn:2:137136:96010,COc1ncc(C#CCCNC(C)c2ccc(-c3ccsc3)cc2)cn1,DWUXKYQHWZJJCO-UHFFFAOYSA-N
rxn:2:92934:172618,CC(NCC#Cc1ccc2[nH]nnc2c1)c1cc(-c2cc3sccc3s2)cs1,HZHDDAPZXCERIT-UHFFFAOYSA-N
rxn:2:150990:142183,Cc1n[nH]nc1C(Cc1ccc2[nH]ccc2c1)NCC=N,PLDPYIVNYNEMCR-UHFFFAOYSA-N
rxn:2:114213:146828,CSCC(Nc1c[nH][nH]c1=O)c1ccc2cc(C)ccc2c1,BUULRXAXZRMFBX-UHFFFAOYSA-N
rxn:2:134689:107408,CC(NCCCC1CCN(C)CC1)c1ccc(-c2ccsc2)s1,IQRMVEJZTKRVOL-UHFFFAOYSA-N
rxn:2:109121:167658,CC(=O)c1ccc(-c2ccc(OC(C)NCCC3CCCN3c3ncccn3)cc2)s1,AXRLVNOGDWEYHU-UHFFFAOYSA-N
rxn:2:133307:78538,Cc1ccsc1-c1ccc(C(C)NCCc2cn[nH]n2)cc1,PDVOMFUKKCMKGH-UHFFFAOYSA-N
rxn:1:41711:39124,CNCc1cn(-c2ccc(I)cc2Br)nn1,LABIPOHZCKIFPZ-UHFFFAOYSA-N
rxn:2:166241:109025,Cc1csc(-c2cc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c(=O)c4c3)cs2)c1,PIVPAWJISDPWJU-UHFFFAOYSA-N
rxn:2:84871:127220,Cc1ccc(-c2cc(C(C)NCCC3CC3c3cnccn3)cs2)s1,NMZROXFVENUZTP-UHFFFAOYSA-N
rxn:2:95795:170060,Cc1cnc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)cn1,OXKWDQSNSPALPR-UHFFFAOYSA-N
rxn:2:150747:147379,Cc1cccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)cc2)c1,LTLOQJYYBQUIGK-UHFFFAOYSA-N
rxn:2:87876:95635,FC1CC(c2ccccc2)CCC1NCCC#Cc1cccs1,BGAOWJNSTQITPL-UHFFFAOYSA-N
rxn:2:131974:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3cnccn3)c2)cc1C,OCDKNMWVMTZURQ-UHFFFAOYSA-N
rxn:2:93644:133871,CSCC(Nc1cn[nH]n1)c1ccc2c(c1)CCC2,ZLMANZYCNVUGJF-UHFFFAOYSA-N
rxn:2:94039:142183,Cc1ccccc1CC(NCC=N)C1CC1C,RNECJSQQAUBQIW-UHFFFAOYSA-N
rxn:2:141397:159692,CNC1CCc2cc(-c3cccs3)ccc21,RYSIRZNOWYLLKS-UHFFFAOYSA-N
rxn:2:74972:172733,Cc1cscc1-c1cc(C)c(C(C)NCc2nnn[nH]2)c(C)c1,VXYSZZRIAOCSPE-UHFFFAOYSA-N
rxn:2:130225:170892,CC(NCCc1cnco1)c1ccc(-c2cc3sccc3s2)s1,BRHMQJSLBGARNM-UHFFFAOYSA-N
rxn:2:141815:108959,CC(NC1CC(c2ncccn2)C1)c1ccc(-c2cccs2)cc1,NPGSLWUFOPLSCA-UHFFFAOYSA-N
rxn:2:112399:107408,CC(N[C@H]1CC[C@@H](Oc2cnccn2)CC1)c1ccc(-c2ccsc2)s1,FCDKWMXNICMMID-ZXFUBFMLSA-N
rxn:2:74199:95117,Cc1cc(C)c2c(c1)CC(NCCC#Cc1cnc3cc[nH]c3c1)CC2,NDDQDQWUCOLGGM-UHFFFAOYSA-N
rxn:2:76009:120038,COc1cc(C#CCNC(C)c2ccc(-c3ccncc3)cc2)ncn1,FNUOZAIMTNQQTM-UHFFFAOYSA-N
rxn:2:149481:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC3c3cnc4[nH]c(=O)oc4c3)cc2)cs1,RCCRJEBSEKGVPP-UHFFFAOYSA-N
rxn:2:93644:172959,CC(Nc1cn[nH]n1)c1cc2ccccc2c2ccccc12,DVCCPMHXUOKIJX-UHFFFAOYSA-N
rxn:2:77440:171182,CCC(Nc1cnon1)c1cccc(-c2sccc2C)c1,VQASUEATRKFICG-UHFFFAOYSA-N
rxn:2:99451:67686,COc1cccc(C(CN2CC2)NC[C@@H]2C[C@@H]2C)c1,QCFSNEZZKGYJPO-GKPPEQDDSA-N
rxn:2:92382:85686,CC(Nc1cn[nH]c1)c1csc(-c2cccs2)c1,BXGPQKQNWXXDIY-UHFFFAOYSA-N
rxn:2:139105:78538,Cc1ccsc1-c1ccc(C(C)NCCC#Cc2ncc[nH]2)cc1,ZSRVNXQFECXWSO-UHFFFAOYSA-N
rxn:2:106940:170892,CC(NCCc1ncno1)c1ccc(-c2cc3sccc3s2)s1,JDTBNWGLFJFTTB-UHFFFAOYSA-N
rxn:2:164315:170892,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(-c2cc3sccc3s2)s1,VZCLTMOCWRWSPC-UHFFFAOYSA-N
rxn:2:122723:97563,CCOc1ccc(C(CC)NC2CCCC(S(=O)(=O)C(C)C)C2)cc1C,GHSIZKWYQIGPLR-UHFFFAOYSA-N
rxn:2:81194:172618,CC(NCCCCc1ccc2[nH]c(=O)[nH]c2c1)c1cc(-c2cc3sccc3s2)cs1,LOUJPCQENBNIOV-UHFFFAOYSA-N
rxn:2:87876:149524,C(#Cc1cccs1)CCNC1CCN(c2ccc3[nH]ccc3c2)CC1,LZYKYHGTGBVQPV-UHFFFAOYSA-N
rxn:2:141544:78538,Cc1ccsc1-c1ccc(C(C)NCCSc2ncn[nH]2)cc1,KYGGQGGZHRIDQH-UHFFFAOYSA-N
rxn:2:112154:96010,CC(NCC#Cc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccsc2)cc1,OWOMEUFFRMFPSZ-UHFFFAOYSA-N
rxn:1:59830:31372,CNCCc1ccc(-c2cn(Cc3ccc(Br)o3)nn2)cc1Cl,GZUCLKRJMUUHLE-UHFFFAOYSA-N
rxn:2:135279:170892,CC(NOCc1ccncc1)c1ccc(-c2cc3sccc3s2)s1,SESGIKTVKUPNDB-UHFFFAOYSA-N
rxn:2:68525:108959,COCc1cc(C#CCNC(C)c2ccc(-c3cccs3)cc2)cs1,VHFSCJKIMVSVOH-UHFFFAOYSA-N
rxn:2:88848:120822,Cc1ccc(-c2ccc(C(C)NCCC#Cc3ncccn3)cc2)s1,JFGGLDYRFACBFA-UHFFFAOYSA-N
rxn:2:92660:107408,CSCc1ncc(CCNC(C)c2ccc(-c3ccsc3)s2)cn1,DFRMUKRRZWAINU-UHFFFAOYSA-N
rxn:2:101355:139886,CC(NCC#Cc1cnc2cc[nH]c2c1)c1ccc(-c2ccco2)cc1,DPILPMFHHNENRF-UHFFFAOYSA-N
rxn:2:141819:170892,CC(NCCc1n[nH]c(=O)o1)c1ccc(-c2cc3sccc3s2)s1,RIEGJUOYYXRBOX-UHFFFAOYSA-N
rxn:2:135414:169412,CCS(=O)(=O)C1CC1CNC(C)CCc1ccc(-c2cc(C)cs2)cc1,NGWUNZSRBGQLNB-UHFFFAOYSA-N
rxn:2:66358:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCCCc1ccn[nH]1,XNPVFBNHGKYXOZ-UHFFFAOYSA-N
rxn:2:144636:96514,Cc1nc(-c2cc(C(C)NCCC#Cc3ccc4[nH]c(=O)[nH]c4c3)cs2)cs1,XPYRHAXUTYALCU-UHFFFAOYSA-N
rxn:2:142622:112875,O=c1[nH]c2ccc(C#CCCNC3CC(C#Cc4cccs4)C3)cc2s1,IJOXQQSAWOZLEU-UHFFFAOYSA-N
rxn:2:139209:173095,CC(Nc1n[nH]c(=O)[nH]1)c1ccc2sc3ccccc3c2c1,LAJFIPHEXYUGBO-UHFFFAOYSA-N
rxn:2:135415:169412,Cc1csc(-c2ccc(CCC(C)NCCCCc3c[nH]c(C)n3)cc2)c1,VTTYVQNKBPGKGG-UHFFFAOYSA-N
rxn:2:68410:173095,CC(NCCCn1nccn1)c1ccc2sc3ccccc3c2c1,BYEGYFMASYCNED-UHFFFAOYSA-N
rxn:2:68618:127220,Cc1ccc(-c2cc(C(C)NCC#Cc3ccc(-c4c[nH]cn4)cc3)cs2)s1,FYBVNPKOQFAGRW-UHFFFAOYSA-N
rxn:2:85576:77028,CCOc1ccc(CC2CCC(N[C@@H]3CCc4ccc(OC)cc4C3)CC2)cc1C,PWQNSZPAHDIWAK-LRARRHDQSA-N
rxn:2:104030:169412,Cc1csc(-c2ccc(CCC(C)NCCC(C)c3cn[nH]c3)cc2)c1,ZIEKKNKATNQXHH-UHFFFAOYSA-N
rxn:2:113171:170411,CCSc1ccc(-c2ccc(C(C)NCCCc3cnn[nH]3)c(C)c2)cc1,QJHAUPMKIRCVAP-UHFFFAOYSA-N
rxn:1:60111:4511,CNCc1ccc(OCc2cn(I)nn2)c(Cl)c1,AJZVBBLTYWVNNL-UHFFFAOYSA-N
rxn:2:133913:142183,N=CCN[C@@H](c1ccc2ccccc2c1)C1CC1,VRANMWMUCROZBN-MRXNPFEDSA-N
rxn:2:123413:159692,O=S(=O)(F)c1ccc(C#CCCNC2CCc3cc(-c4cccs4)ccc32)cc1,JXRUJJBDWCQQIE-UHFFFAOYSA-N
rxn:2:97212:170060,Cc1cc(-c2ccc(CCC(C)NCCc3cnc(N(C)C)nc3)cc2)cs1,NWVWXBJFWSMPCK-UHFFFAOYSA-N
rxn:2:76625:120822,Cc1ccc(-c2ccc(C(C)NCCC#Cc3cnc[nH]3)cc2)s1,JKHDJEPVALQRFF-UHFFFAOYSA-N
rxn:2:68546:142183,COc1cc(C)c(C#CCNCC=N)cc1C,UGCGLYDOMRBLLI-UHFFFAOYSA-N
rxn:2:122351:84708,CCN(C)CC(Nc1c[nH]nn1)c1ccc(C)cc1C,KSQZAASTTMVYNO-UHFFFAOYSA-N
rxn:2:83604:160838,CCOc1ccc(C)cc1C(Cc1ccccc1)NCC1N=N1,WCDAEMASAZEIEB-UHFFFAOYSA-N
rxn:2:127253:142183,COc1cc(C)ccc1CC(CC(C)(C)C)NCC=N,NYPAXKYWGSYQFZ-UHFFFAOYSA-N
rxn:2:117865:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCCC#Cc1cnc(N(C)C)nc1,NUVXGTMTSZUFTJ-UHFFFAOYSA-N
rxn:2:112350:70812,Cn1cc(C#CCCNC2CCC(c3ccccc3)CC2)cn1,VZIVNLXZQPEJSL-UHFFFAOYSA-N
rxn:2:74199:108959,CC(NCCC#Cc1cnc2cc[nH]c2c1)c1ccc(-c2cccs2)cc1,IMZDNTGTEHYTCJ-UHFFFAOYSA-N
rxn:2:163073:117713,C[C@@H](NC(c1nnn[nH]1)C1CC1)c1ccc2c(c1)Cc1ccccc1-2,RINIOYGYAVXIBE-ISGGMURCSA-N
rxn:2:141397:169810,CNC(C)c1ccc(-c2cc3cc(OC)ccc3o2)cc1C,IKNXJEOLAKMALU-UHFFFAOYSA-N
rxn:2:107531:170858,Cc1csc(-c2ccc(C(C)NCc3nn[nH]n3)cc2C)c1,ZSUSHZNVAYQBRH-UHFFFAOYSA-N
rxn:2:108829:102373,Cc1ccc(C2CC(NCCC#Cc3cscc3C)C2)s1,CLFGYBBKZQJWCE-UHFFFAOYSA-N
rxn:2:110222:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cnc4[nH]c(=O)oc4c3)cc2)cs1,MRIXLXSHAKWHJU-UHFFFAOYSA-N
rxn:2:72913:171392,C(#Cc1ncccn1)CNC1CCC(c2csc3ccccc23)CC1,OWASGYNTNMNFID-UHFFFAOYSA-N
rxn:2:84749:96010,CC(NCC1CC1c1ccc2[nH]cnc2c1)c1ccc(-c2ccsc2)cc1,RCSWIWHUNHZNGT-UHFFFAOYSA-N
rxn:2:127524:120822,Cc1nc(C#CCNC(C)c2ccc(-c3ccc(C)s3)cc2)c[nH]1,FZFYDJYGBUVESF-UHFFFAOYSA-N
rxn:2:73749:97346,C(#Cc1cn[nH]c1)CCNC1CCC(c2ccsc2)CC1,NPLPJTRUUZBJNY-UHFFFAOYSA-N
rxn:2:149481:169412,Cc1csc(-c2ccc(CCC(C)NCC3CC3c3cnc4[nH]c(=O)oc4c3)cc2)c1,IBMABERHBOEOPQ-UHFFFAOYSA-N
rxn:2:70378:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCCc3cc[nH]c3)ccc1-2,LRQMYPVTHHTPAZ-UHFFFAOYSA-N
rxn:2:150747:100541,COc1ccc2cc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)sc2c1,LSFVXOJMQOGSFY-UHFFFAOYSA-N
rxn:2:107766:107408,COc1ccc(C2CC2CNC(C)c2ccc(-c3ccsc3)s2)nn1,VPQYGVVTEJBVGK-UHFFFAOYSA-N
rxn:2:83885:170892,CC(NCCCCc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2cc3sccc3s2)s1,CXCHNILAVXMWFF-UHFFFAOYSA-N
rxn:1:59915:31372,CNCCc1ccc(-c2cn(Cc3sc(Br)cc3Br)nn2)cc1Cl,VJEFHOUNOVBEOZ-UHFFFAOYSA-N
rxn:2:114213:169594,CC(Nc1c[nH][nH]c1=O)c1ccc2c(ccc3ccccc32)c1,LCHSOTBOLYAYQR-UHFFFAOYSA-N
rxn:2:166241:139886,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(-c2ccco2)cc1,TWMBIJLLPBOITG-UHFFFAOYSA-N
rxn:2:167169:111147,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2nccs2)cc1,YYDCBFBCLYYDKZ-UHFFFAOYSA-N
rxn:2:123413:112875,O=S(=O)(F)c1ccc(C#CCCNC2CC(C#Cc3cccs3)C2)cc1,FIOFSSKILYUUPK-UHFFFAOYSA-N
rxn:2:167592:161103,CC(NCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc2c(c1)Cc1ccccc1-2,XAQBYPPJYCCPOB-UHFFFAOYSA-N
rxn:2:135414:170060,CCS(=O)(=O)C1CC1CNC(C)CCc1ccc(-c2csc(C)c2)cc1,CWMOLPSHVRQOMX-UHFFFAOYSA-N
rxn:2:94771:146828,CSCC(Nn1cnnc1)c1ccc2cc(C)ccc2c1,ZPALKBIKILAZKT-UHFFFAOYSA-N
rxn:1:43730:38410,NC1(c2cn(-c3ccc(Br)cc3I)nn2)CC1,RRRPXJKJZKKBOC-UHFFFAOYSA-N
rxn:2:97024:143698,C(#Cc1cscn1)CCNC1CC(c2ccc3ccccc3c2)C1,YDNLRMPUAMVWJY-UHFFFAOYSA-N
rxn:2:85122:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCc1c[nH]nn1,IHBCGGFOVIIQKA-UHFFFAOYSA-N
rxn:2:83688:96010,CC(NCC1CC1c1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccsc2)cc1,IPZWONAUURSCAL-UHFFFAOYSA-N
rxn:2:111468:108959,CC(NCCC#Cc1cnc2cn[nH]c2c1)c1ccc(-c2cccs2)cc1,QLHSTRBFBYGTGL-UHFFFAOYSA-N
rxn:2:100318:88103,COCC(Nc1cn[nH]c(=O)n1)c1cc2ccccc2s1,QEOOLLCKWQWVIX-UHFFFAOYSA-N
rxn:2:97543:172752,Cc1cc(-c2cccs2)cc(C)c1C(C)NCCc1nnn[nH]1,IXYKYBMTMKUALQ-UHFFFAOYSA-N
rxn:2:91903:78538,Cc1ccsc1-c1ccc(C(C)NCCc2nnc[nH]2)cc1,VLXCJQQLFWXMNJ-UHFFFAOYSA-N
rxn:2:118279:143698,c1ccc2cc(C3CC(NCCCc4cscn4)C3)ccc2c1,CCTAUHYAFWGBEU-UHFFFAOYSA-N
rxn:2:103984:170892,COc1ccc(C#CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)nc1,CDHKRWCJIBWLKH-UHFFFAOYSA-N
rxn:2:141397:89797,CNC(CC1CC1)c1ccc2c(c1)CCCC2,YSZJYOAWYMJYMW-UHFFFAOYSA-N
rxn:2:86385:146533,CC(NCc1c[nH]nn1)c1ccc(-c2ccc3cnoc3c2)s1,CUYKRIIAAGFQMN-UHFFFAOYSA-N
rxn:2:122351:81152,CCC(Cc1ccc2ccccc2c1)Nc1c[nH]nn1,HKQDVCFEBASCAM-UHFFFAOYSA-N
rxn:2:132400:172375,CC(NCS(C)(=O)=O)c1ccc(-c2cc3ccccc3o2)c2c1OCO2,LGVJWXAQOONORK-UHFFFAOYSA-N
rxn:2:74199:96010,CC(NCCC#Cc1cnc2cc[nH]c2c1)c1ccc(-c2ccsc2)cc1,IYCCEHCINLENNA-UHFFFAOYSA-N
rxn:2:97980:70192,Cc1ccc(OCCC(C)Nc2ccsn2)c(C)c1,XYXSVUZBVNPZID-UHFFFAOYSA-N
rxn:2:144636:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCCC#Cc1ccc2[nH]c(=O)[nH]c2c1,KTAKWKDJBDHKCJ-UHFFFAOYSA-N
rxn:2:134698:109382,CC(NC1CCC(c2nccs2)CC1)c1ccc(-c2cccs2)cc1,SCGLKSWKBULZOV-UHFFFAOYSA-N
rxn:2:92382:161575,CC(Nc1cn[nH]c1)c1ccc2cccc3c2c1CC3,DAQWAZBQGFOEAJ-UHFFFAOYSA-N
rxn:2:126873:158208,C=C=CCCNC(COc1ccc(C)cc1C)c1ccn(C)c1,LBHZJCFTMRRCSV-UHFFFAOYSA-N
rxn:2:97024:153414,Cc1cc(-c2ccccc2)ccc1C(C)NCCC#Cc1cscn1,SINOOYQCBKEKIF-UHFFFAOYSA-N
rxn:2:68984:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCn3cncn3)c2)cc1C,NNWSMBHDNFWIDV-UHFFFAOYSA-N
rxn:2:88848:169412,Cc1csc(-c2ccc(CCC(C)NCCC#Cc3ncccn3)cc2)c1,RCBUVJWZFMCODI-UHFFFAOYSA-N
rxn:2:126579:104330,Cc1cc(C#CCNC(C)c2ccc(-c3cc[nH]c3)cc2C)cs1,UTNLMJPPAVDLQB-UHFFFAOYSA-N
rxn:2:76625:142192,CC(NCCC#Cc1cnc[nH]1)c1ccc(-c2cccs2)cn1,JAUCSXQYKYYNOE-UHFFFAOYSA-N
rxn:2:148527:142183,COc1ccc2cc([C@@H](NCC=N)C3CCC3)ccc2c1,AONBRVOGXBGSKF-SFHVURJKSA-N
rxn:2:141397:173089,CNC(C)c1ccc(-c2cc3sccc3s2)cc1C,XSVSMRBWUXIQQU-UHFFFAOYSA-N
rxn:2:90327:170858,Cc1csc(-c2ccc(C(C)NCCCc3cnc[nH]3)cc2C)c1,RHDLLLUQICTQMK-UHFFFAOYSA-N
rxn:2:110352:172397,CCNC(c1ccccc1)c1ccc2c(c1)Cc1ccccc1-2,UTXUYKDGBHQVRD-UHFFFAOYSA-N
rxn:2:124198:70812,C(#Cc1ccsc1)CCNC1CCC(c2ccccc2)CC1,BCKHCZXILJTZSM-UHFFFAOYSA-N
rxn:2:145188:85686,CC(NCCC#Cc1ccc2c(=O)[nH]cnc2c1)c1csc(-c2cccs2)c1,SYEJFFWEWYKIFB-UHFFFAOYSA-N
rxn:2:78553:113807,C(#Cc1ccc2ncsc2c1)CCNC1CCC(c2cccnc2)CC1,WFAUFKFIVQPULN-UHFFFAOYSA-N
rxn:2:85110:170892,COc1ccc(CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)nc1,QIRSUNGXETVACC-UHFFFAOYSA-N
rxn:2:94771:170858,Cc1csc(-c2ccc(C(C)Nn3cnnc3)cc2C)c1,AKGQNZWKAHCREM-UHFFFAOYSA-N
rxn:2:83170:108959,CC(NCCCc1ccncn1)c1ccc(-c2cccs2)cc1,VCKFKTQAMNZJSE-UHFFFAOYSA-N
rxn:2:66358:169400,CCC(NCCCCc1ccn[nH]1)c1ccc(-c2ccc(C)s2)cc1C,BLIXYHNEJOLHIG-UHFFFAOYSA-N
rxn:1:55948:28813,NCCC1CC1c1ccc(-c2cn(CCI)nn2)cc1,HEPQZDGKYSIJEH-UHFFFAOYSA-N
rxn:2:104011:122855,CC(NCC#Cc1ccc(N2CCN(C)CC2)cc1)c1ccc(-c2cccs2)s1,UVBJMWGRXLWACE-UHFFFAOYSA-N
rxn:2:95380:169412,Cc1csc(-c2ccc(CCC(C)NCCOc3cnccn3)cc2)c1,KFXTYASMHQWORI-UHFFFAOYSA-N
rxn:2:124693:68636,Cc1csc2ccc(C(C)NCC(C)c3nnn[nH]3)cc12,ZCYMJKAOKBPCLG-UHFFFAOYSA-N
rxn:2:71745:96010,Cc1nc2c([nH]1)CC(CCCNC(C)c1ccc(-c3ccsc3)cc1)CC2,JZACDZSQJKTFGT-UHFFFAOYSA-N
rxn:2:96712:160916,c1cc(CCCNC2CCN(c3ccc4sccc4c3)CC2)ns1,OJQJRJDCSAZZNX-UHFFFAOYSA-N
rxn:2:92934:109025,Cc1csc(-c2cc(C(C)NCC#Cc3ccc4[nH]nnc4c3)cs2)c1,CTJCBJKADDGIHK-UHFFFAOYSA-N
rxn:2:73728:111125,Cc1ccc(CCC(NC2CC2)C2CCCC2)c(C)c1,ZPZVUFXSVUZDQB-UHFFFAOYSA-N
rxn:2:132998:170892,CC(NCc1ccc(-c2ccc(=O)[nH]c2)cc1)c1ccc(-c2cc3sccc3s2)s1,CPWPHRAZLGHXBQ-UHFFFAOYSA-N
rxn:2:135668:70192,Cc1ccc(OCCC(C)NCCOc2cc[nH]n2)c(C)c1,ONUXVGBONCNKAU-UHFFFAOYSA-N
rxn:2:76009:78538,COc1cc(C#CCNC(C)c2ccc(-c3sccc3C)cc2)ncn1,XEHUDZQMXPWKIN-UHFFFAOYSA-N
rxn:2:141819:120822,Cc1ccc(-c2ccc(C(C)NCCc3n[nH]c(=O)o3)cc2)s1,WLGWUNLUNRXSRZ-UHFFFAOYSA-N
rxn:2:67009:171392,COc1ccnc(C#CCNC2CCC(c3csc4ccccc34)CC2)n1,HJFUFNMWISVNDL-UHFFFAOYSA-N
rxn:2:91798:68807,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ccc(OCCN(C)C)cc2)s1,TZVFLONATPHZLM-UHFFFAOYSA-N
rxn:2:122353:102373,Cc1ccc(C2CC(NCCC#Cc3cccc(S(C)(=O)=O)c3)C2)s1,PQNAVGQAOBQJLA-UHFFFAOYSA-N
rxn:2:99601:78538,Cc1ccsc1-c1ccc(C(C)NCCCc2cnn(C)n2)cc1,JDRKNEKJVBXZTN-UHFFFAOYSA-N
rxn:2:158858:108959,CC(NCC1CC1c1ccc2[nH]c(=O)oc2c1)c1ccc(-c2cccs2)cc1,SMVZBEHKKGJSEA-UHFFFAOYSA-N
rxn:2:124198:114519,Cc1sccc1-c1ccc(C(C)NCCC#Cc2ccsc2)cc1,XUNGORCACLJTTB-UHFFFAOYSA-N
rxn:2:72200:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3nnc[nH]3)c2)cc1C,DXSIHIHKZZKSJI-UHFFFAOYSA-N
rxn:2:99080:159692,CCn1cc(C#CCNC2CCc3cc(-c4cccs4)ccc32)cn1,AKJGYSGOVRPWHW-UHFFFAOYSA-N
rxn:2:135058:148477,CC(NCCc1csnn1)c1ccc2c(c1)CCc1ccccc1-2,SNHRCCFEOOUEHO-UHFFFAOYSA-N
rxn:2:68737:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCC#Cc1cc[nH]n1,JLLFCJVBDPVZDQ-UHFFFAOYSA-N
rxn:2:77387:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCc1ncco1,MHGUKWYDSCNZAX-UHFFFAOYSA-N
rxn:2:124198:129654,Cc1nc(-c2ccsc2)ccc1C(C)NCCC#Cc1ccsc1,XIICDLOFXKHVNQ-UHFFFAOYSA-N
rxn:2:100318:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)Nc1cn[nH]c(=O)n1,AQOJSNNGZSPIGV-UHFFFAOYSA-N
rxn:2:110768:109025,Cc1csc(-c2cc(C(C)NCC#Cc3cnc4[nH]ncc4c3)cs2)c1,BDVJPVKTIONUAD-UHFFFAOYSA-N
rxn:2:141397:171073,CNC(C)c1cc2ccc(OCc3ccccc3)cc2o1,UOYVQWCCUGHLHL-UHFFFAOYSA-N
rxn:2:144636:171152,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccc3c(c2)oc2ccccc23)s1,SOQATCWGRUOFTG-UHFFFAOYSA-N
rxn:2:78535:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3cnc4cn[nH]c4c3)cc2)s1,RVGJGQNDOPXIBY-UHFFFAOYSA-N
rxn:2:73576:78538,Cc1ccsc1-c1ccc(C(C)NCCCc2c[nH][nH]c2=O)cc1,IGQSNFCHCKOUCI-UHFFFAOYSA-N
rxn:2:93644:70192,Cc1ccc(OCCC(C)Nc2cn[nH]n2)c(C)c1,WOBBICMWAQIBQD-UHFFFAOYSA-N
rxn:2:87202:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCc1cn[nH]c1,DZRRDTKTKKDLJT-UHFFFAOYSA-N
rxn:2:91903:172752,Cc1cc(-c2cccs2)cc(C)c1C(C)NCCc1nnc[nH]1,OVMDQYGLNULBJW-UHFFFAOYSA-N
rxn:2:162493:127220,Cc1ccc(-c2cc(C(C)NCC#Cc3ccc4c(=O)[nH]cnc4c3)cs2)s1,DCLUCPZAKHOPQE-UHFFFAOYSA-N
rxn:2:110352:75004,CCNC(CCC(C)C)Cc1cc(C)cc(C)c1,LKUGTOGUAXDMTB-UHFFFAOYSA-N
rxn:2:107938:108959,CC(NCCC#Cc1ccc2cc[nH]c2c1)c1ccc(-c2cccs2)cc1,PODJQPPAGZYPHY-UHFFFAOYSA-N
rxn:2:106342:142183,N=CCNOCc1cccc2ccccc12,BOIANTBDFDPRBM-UHFFFAOYSA-N
rxn:2:114506:154103,O=c1cc(NC(c2cc[nH]c2)c2ccc3ccccc3c2)[nH][nH]1,DTKFEARMCUOIHX-UHFFFAOYSA-N
rxn:2:111746:139599,Cc1ccc(-c2ccc(C(C)NCCCCc3cnccn3)s2)cc1,GSSGASWELNLKBT-UHFFFAOYSA-N
rxn:2:100083:173095,Cc1ncc(CCCNC(C)c2ccc3sc4ccccc4c3c2)cn1,KWVVBEMKHUFZSB-UHFFFAOYSA-N
rxn:2:101355:110334,Cc1ccc2cc(C(C)NCC#Cc3cnc4cc[nH]c4c3)ccc2c1,KSOQHEVOPMIEOF-UHFFFAOYSA-N
rxn:2:70378:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCCCc1cc[nH]c1,FBFXSQDZFLLGEU-UHFFFAOYSA-N
rxn:2:148324:142183,N=CCNC(c1csc2ccccc12)C1CCCCO1,KYCNWDZSQJCHHW-UHFFFAOYSA-N
rxn:2:137922:107408,CCOc1ncc(C#CCNC(C)c2ccc(-c3ccsc3)s2)cn1,NRHYPUOQEAMTFV-UHFFFAOYSA-N
rxn:2:77560:91563,Cc1cc(-c2ccco2)ccc1C(C)Nc1cnoc1,BAODBTUSUKFMNV-UHFFFAOYSA-N
rxn:1:58687:31438,N#Cc1cnc(N)c(-c2cn(CCCCc3cscc3Br)nn2)c1,AILSLXBUEWNMGH-UHFFFAOYSA-N
rxn:2:79532:83505,CCOc1ccc(C(C)NC2CCCC(SC)C2)cc1C,IKBCLESNCJEDSQ-UHFFFAOYSA-N
rxn:2:71745:169412,Cc1csc(-c2ccc(CCC(C)NCCCC3CCc4nc(C)[nH]c4C3)cc2)c1,IPHRIEGYKDINQS-UHFFFAOYSA-N
rxn:2:91903:173095,CC(NCCc1nnc[nH]1)c1ccc2sc3ccccc3c2c1,YKLNNKNSVURNIC-UHFFFAOYSA-N
rxn:2:108231:96010,CCCCn1cc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)cn1,ABGOIMOMCXCMEG-UHFFFAOYSA-N
rxn:2:68525:82388,COCc1cc(C#CCNC(C)c2ccc(-c3cnco3)cc2)cs1,FMXZMICTPGWMMH-UHFFFAOYSA-N
rxn:2:131544:170892,COc1ccnc(CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)c1,WEIBFXYMSNVDLU-UHFFFAOYSA-N
rxn:2:89902:90938,CC(NC1CC(COc2cccnn2)C1)c1ccc(-c2cccs2)s1,LMTQNKGNFPZRMI-UHFFFAOYSA-N
rxn:2:110768:108959,CC(NCC#Cc1cnc2[nH]ncc2c1)c1ccc(-c2cccs2)cc1,OIXGFJHRJKLGJT-UHFFFAOYSA-N
rxn:2:70378:120822,Cc1ccc(-c2ccc(C(C)NCCCCc3cc[nH]c3)cc2)s1,YRDOBOIYGJLBJG-UHFFFAOYSA-N
rxn:2:141979:108959,Cc1c[nH]c2cc(CNC(C)c3ccc(-c4cccs4)cc3)ccc12,KGIZQBOIBPXCED-UHFFFAOYSA-N
rxn:2:138365:96010,CC(NC1CC(c2cnccn2)C1)c1ccc(-c2ccsc2)cc1,MTHJBVFROLYRAH-UHFFFAOYSA-N
rxn:2:108432:169412,Cc1csc(-c2ccc(CCC(C)NCCC(C)S(C)(=N)=O)cc2)c1,JBLBKVMTUQPJSF-UHFFFAOYSA-N
rxn:2:85110:96010,COc1ccc(CCCNC(C)c2ccc(-c3ccsc3)cc2)nc1,LTCGHJOQXKYJMA-UHFFFAOYSA-N
rxn:2:122351:154103,c1ccc2cc(C(Nc3c[nH]nn3)c3cc[nH]c3)ccc2c1,LLELRDXISBKKJE-UHFFFAOYSA-N
rxn:2:92434:170892,CC(C)CC(NC(C)c1ccc(-c2cc3sccc3s2)s1)c1nnn[nH]1,MOYBGUCWLFUHAB-UHFFFAOYSA-N
rxn:2:74972:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCc1nnn[nH]1,WNQXBSHGTSZYOT-UHFFFAOYSA-N
rxn:2:68737:159692,C(#Cc1cc[nH]n1)CCNC1CCc2cc(-c3cccs3)ccc21,QDTLKENHMHQGPX-UHFFFAOYSA-N
rxn:2:103972:142183,Cc1c(NCC=N)cccc1-c1cccs1,IJVWFFGQTPZACR-UHFFFAOYSA-N
rxn:2:73576:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3c[nH][nH]c3=O)c2)cc1C,UXUVGOZYIAZDMF-UHFFFAOYSA-N
rxn:2:81212:88396,Cc1ccc(C(CN2CCCC2)Nc2nnn[n-]2)c(C)c1,MQIPBAZPJXJUQF-UHFFFAOYSA-N
rxn:2:160401:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCCC#Cc1cnc2[nH]c(=O)oc2c1,BZISFQMZWRKXPZ-UHFFFAOYSA-N
rxn:2:97858:111053,CC(NCCc1cnc[nH]1)c1ccc2ccccc2c1,CPZDKXWYGXJISA-UHFFFAOYSA-N
rxn:2:113171:170892,CC(NCCCc1cnn[nH]1)c1ccc(-c2cc3sccc3s2)s1,ICBHDARRNAYZGW-UHFFFAOYSA-N
rxn:2:141397:172356,CNC1CCc2cc(-c3cc4ccccc4o3)ccc2C1,NZTQQAWMROTPSB-UHFFFAOYSA-N
rxn:2:139357:88103,COCC(Nc1nnco1)c1cc2ccccc2s1,VORNTMMCYJVUFK-UHFFFAOYSA-N
rxn:2:116690:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3nc4ncccc4[nH]3)cc2)cs1,DGGXEAAFVFFYHR-UHFFFAOYSA-N
rxn:2:140832:142183,CC(NCC=N)c1cc2ccccc2s1,WIXYHHFPYUSBBF-UHFFFAOYSA-N
rxn:2:122351:171179,CCC(Nc1c[nH]nn1)c1ccc(-c2ccc(C)o2)cc1C,APZLDHQZZLCCLG-UHFFFAOYSA-N
rxn:2:97063:169340,CC(NCCSc1cnn[nH]1)c1ccc(-c2cc3ccccc3s2)s1,JOBFABKFWCGXGA-UHFFFAOYSA-N
rxn:2:119528:78538,Cc1ccsc1-c1ccc(C(C)Nc2cccc3[nH]c(=O)[nH]c23)cc1,QSTXGEXNGBUVLL-UHFFFAOYSA-N
rxn:2:110352:94314,CCNC(C)c1csc2c(C)cccc12,DZQWJRSAQZZZFV-UHFFFAOYSA-N
rxn:2:67778:171392,C(#Cc1cncnc1)CCNC1CCC(c2csc3ccccc23)CC1,IWQDPHZTIXQAEX-UHFFFAOYSA-N
rxn:2:92382:97563,CCOc1ccc(C(CC)Nc2cn[nH]c2)cc1C,CILTWGRSBNYZGX-UHFFFAOYSA-N
rxn:2:114168:129654,Cc1nc(-c2ccsc2)ccc1C(C)NCCCOc1cc[nH]n1,GTHSODCSVYJVBY-UHFFFAOYSA-N
rxn:2:71745:123403,Cc1ccc2cc(C(C)NCCCC3CCc4nc(C)[nH]c4C3)sc2c1,VFFRZYGJADCNQT-UHFFFAOYSA-N
rxn:1:63670:24341,CNC1CC1c1ccc(-c2cn(Cc3ccc(Br)s3)nn2)cc1,WRNQPDFAWYAGGF-UHFFFAOYSA-N
rxn:2:116191:124273,Cc1cc(C#CCCNC(C)c2ccc(-c3cnsc3)s2)cs1,TUWYSCQRZNCKOW-UHFFFAOYSA-N
rxn:2:80519:96010,CC(NCCCc1c[nH]c(=S)[nH]1)c1ccc(-c2ccsc2)cc1,ADXHTUPIJHCTEV-UHFFFAOYSA-N
rxn:2:150747:126659,Cc1ccc2sc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)cc2c1,KAANXOAQRZIUNP-UHFFFAOYSA-N
rxn:2:77387:170892,CC(NCCc1ncco1)c1ccc(-c2cc3sccc3s2)s1,SHJYKVICMHRZHY-UHFFFAOYSA-N
rxn:2:92934:108959,CC(NCC#Cc1ccc2[nH]nnc2c1)c1ccc(-c2cccs2)cc1,MYZLQBLESBNYQB-UHFFFAOYSA-N
rxn:2:76009:68807,COc1cc(C#CCNC(C)c2ccc(-c3sccc3C)s2)ncn1,MQNSNFJJCWUNDL-UHFFFAOYSA-N
rxn:2:130209:109025,Cc1csc(-c2cc(C(C)NCCC#Cc3cnccn3)cs2)c1,HJQXIEBXPKXWCE-UHFFFAOYSA-N
rxn:2:131974:108959,CC(NCCCc1cnccn1)c1ccc(-c2cccs2)cc1,SJZHYKCGHSHTMW-UHFFFAOYSA-N
rxn:2:112208:108959,CC(NCCSCc1cnccn1)c1ccc(-c2cccs2)cc1,UKGFPNILTSLEOX-UHFFFAOYSA-N
rxn:2:91859:125240,CCc1cccc2c1CCC(NC(C)c1cnc3sccc3c1)C2,GQZVMWLJHGJKEN-UHFFFAOYSA-N
rxn:2:88304:146828,CSCC(Nc1ccno1)c1ccc2cc(C)ccc2c1,KCQZDUOFZBHABI-UHFFFAOYSA-N
rxn:2:162493:110334,Cc1ccc2cc(C(C)NCC#Cc3ccc4c(=O)[nH]cnc4c3)ccc2c1,ALUSLCJDKHTREF-UHFFFAOYSA-N
rxn:2:68618:128413,Cc1nc2cc(C(C)NCC#Cc3ccc(-c4c[nH]cn4)cc3)ccc2s1,COZQSAHRRVCPDS-UHFFFAOYSA-N
rxn:2:156072:76379,CC(NCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2cscn2)cc1,VMHGLAZEHSMPSB-UHFFFAOYSA-N
rxn:2:89554:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2cnc3nc[nH]c3c2)cc1,RJWMAFOHXMEXOV-UHFFFAOYSA-N
rxn:2:92382:107408,CC(Nc1cn[nH]c1)c1ccc(-c2ccsc2)s1,AIPVCHBOCBIZNP-UHFFFAOYSA-N
rxn:2:74199:109025,Cc1csc(-c2cc(C(C)NCCC#Cc3cnc4cc[nH]c4c3)cs2)c1,UFGZJCXUCJKQIY-UHFFFAOYSA-N
rxn:2:135731:96010,CC(NCc1ccc(Oc2cnccn2)cc1)c1ccc(-c2ccsc2)cc1,ZVDQHIWPIGSIKV-UHFFFAOYSA-N
rxn:2:85630:169412,Cc1csc(-c2ccc(CCC(C)NCCCOc3cnn(C)c3)cc2)c1,XHBFHGAZMRZHBS-UHFFFAOYSA-N
rxn:2:150747:148477,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc2c(c1)CCc1ccccc1-2,XVOCMNPOYPIXIJ-UHFFFAOYSA-N
rxn:2:92565:126659,Cc1ccc2sc(C(C)NCCc3ccns3)cc2c1,ZCMDHROTZNEZGD-UHFFFAOYSA-N
rxn:2:89554:96010,CC(NCC#Cc1cnc2nc[nH]c2c1)c1ccc(-c2ccsc2)cc1,IJUQODUDICYWGM-UHFFFAOYSA-N
rxn:2:70378:170514,CC(NCCCCc1cc[nH]c1)c1ccc(-c2ccc(OC3CC3)cc2)s1,KCQXGRBYOOJGDT-UHFFFAOYSA-N
rxn:2:84357:122855,CC(NC1CCN(c2ncco2)CC1)c1ccc(-c2cccs2)s1,ZFABFXXKBAKOEB-UHFFFAOYSA-N
rxn:2:91717:88103,COCC(Nc1[nH]ncc1N=O)c1cc2ccccc2s1,AXRQMNKNCSBEQE-UHFFFAOYSA-N
rxn:2:158858:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC3c3ccc4[nH]c(=O)oc4c3)cc2)cs1,VQKJRONVBIIRTE-UHFFFAOYSA-N
rxn:2:148180:170892,CC(NCC1CC1c1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cc3sccc3s2)s1,FLDGATPEHZKLBH-UHFFFAOYSA-N
rxn:2:113063:77963,Cc1ccc(OCC(C)NC2CCc3cn[nH]c32)c(C)c1,XCTIAUSRKCUYTO-UHFFFAOYSA-N
rxn:2:131711:170235,Cc1cccc(-c2ccc3oc(C(C)NCCCCS(C)(=N)=O)cc3c2)c1,SGSVJPLSQZVCTE-UHFFFAOYSA-N
rxn:2:75557:146828,CSCC(NCCCc1nnn[nH]1)c1ccc2cc(C)ccc2c1,IVVVIFLIWKZPKK-UHFFFAOYSA-N
rxn:2:148180:109025,Cc1csc(-c2cc(C(C)NCC3CC3c3ccc4[nH]c(=O)sc4c3)cs2)c1,OPXCMJKNBKVEHS-UHFFFAOYSA-N
rxn:2:145483:142183,N=CCNC(COC1CCC1)c1ccc2ccccc2c1,QOXYURREYIHVQJ-UHFFFAOYSA-N
rxn:2:66894:172332,CC12CCC3c4ccccc4CCC3C1CCC2NCc1cc(=O)[nH]o1,TZAFYADZLUCDKU-UHFFFAOYSA-N
rxn:2:117725:97346,CN1CCN(c2ccc(C#CCCNC3CCC(c4ccsc4)CC3)cc2)CC1,GQHOTBMXQCCNPK-UHFFFAOYSA-N
rxn:2:77560:144172,Cc1ccc2cc(C(C)Nc3cnoc3)ccc2n1,GWKHASWUSKOIAA-UHFFFAOYSA-N
rxn:2:102522:141988,COc1ccc(C#CCNC(C)c2ccc(-c3csc(C)c3)s2)nn1,RXXMBGJGGCPNOE-UHFFFAOYSA-N
rxn:2:106940:96010,CC(NCCc1ncno1)c1ccc(-c2ccsc2)cc1,NFJBMUYXFWCDLT-UHFFFAOYSA-N
rxn:2:92660:108959,CSCc1ncc(CCNC(C)c2ccc(-c3cccs3)cc2)cn1,VPVJSHKOWSQCPP-UHFFFAOYSA-N
rxn:2:130401:126659,CSCCC(NC(C)c1cc2cc(C)ccc2s1)c1ncno1,PWDZXSDDZJSWFI-UHFFFAOYSA-N
rxn:2:81212:173095,CC(Nc1nnn[n-]1)c1ccc2sc3ccccc3c2c1,SWHHSGQHPMIWHD-UHFFFAOYSA-N
rxn:2:89311:83817,Cc1ccccc1OCCC(C)NCc1cn[nH]c1,GQJMUTBKOSGANK-UHFFFAOYSA-N
rxn:2:127318:108959,Cc1cc(C#CCNC(C)c2ccc(-c3cccs3)cc2)ncn1,BAZGMVUTNFXEJG-UHFFFAOYSA-N
rxn:2:167169:117232,Cc1cc(-c2ccoc2)ccc1C(C)NCC#Cc1ccc2[nH]c(=O)sc2c1,DAKMEJZSTNMUGY-UHFFFAOYSA-N
rxn:1:65306:31372,CNCCc1ccc(-c2cn(Cc3cccs3)nn2)cc1Cl,SSHAUVQYHUIVKW-UHFFFAOYSA-N
rxn:2:167169:129654,Cc1nc(-c2ccsc2)ccc1C(C)NCC#Cc1ccc2[nH]c(=O)sc2c1,BQAUBOQSTNMAHL-UHFFFAOYSA-N
rxn:2:89311:108959,CC(NCc1cn[nH]c1)c1ccc(-c2cccs2)cc1,MFQRWSMHJNJTPE-UHFFFAOYSA-N
rxn:2:111468:122855,CC(NCCC#Cc1cnc2cn[nH]c2c1)c1ccc(-c2cccs2)s1,HDXCNXDGCJMVRJ-UHFFFAOYSA-N
rxn:2:93644:159185,C=C=CC(Nc1cn[nH]n1)c1ccc2ccccc2c1,BJGQIDLLMJQEHW-UHFFFAOYSA-N
rxn:2:88304:161575,CC(Nc1ccno1)c1ccc2cccc3c2c1CC3,OJLHXULKVDALIH-UHFFFAOYSA-N
rxn:2:91097:108959,CC(NCCCc1cncnc1)c1ccc(-c2cccs2)cc1,VNTKTJVWZKUSET-UHFFFAOYSA-N
rxn:2:167169:125117,Cc1ccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)cc2)o1,QHPOQONPSSDGOK-UHFFFAOYSA-N
rxn:2:93504:155734,COc1ccc(-c2csc(C(C)NCCCc3cocn3)c2)c(C)c1,CFPNHTDRHFHFMM-UHFFFAOYSA-N
rxn:2:115442:70812,O=c1[nH]c2cc(CNC3CCC(c4ccccc4)CC3)ccc2o1,ODAWYQVEWIZZDT-UHFFFAOYSA-N
rxn:2:141397:169856,CNC(C)c1cccc2c1sc1ccccc12,HQVSUJBRBWIEJE-UHFFFAOYSA-N
rxn:2:142229:108959,Cc1n[nH]cc1C#CCNC(C)c1ccc(-c2cccs2)cc1,IKYPHUXBBKERAS-UHFFFAOYSA-N
rxn:2:150747:151136,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1cc2cc(-c3cc[nH]c3)ccc2o1,TYRBOEBSIQNENF-UHFFFAOYSA-N
rxn:2:124198:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCC#Cc1ccsc1,XZFPKNGFYBRSSA-UHFFFAOYSA-N
rxn:2:110768:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCC#Cc1cnc2[nH]ncc2c1,JWASLROADCDLKS-UHFFFAOYSA-N
rxn:2:69022:120822,Cc1ccc(-c2ccc(C(C)NCCCCc3ncc[nH]3)cc2)s1,OOEQWLNXXMWZBA-UHFFFAOYSA-N
rxn:2:139105:129654,Cc1nc(-c2ccsc2)ccc1C(C)NCCC#Cc1ncc[nH]1,VPJPNHPAQLGBLJ-UHFFFAOYSA-N
rxn:2:106758:87373,CC(N[C@@H](C)c1ccc(-c2cccs2)cc1)c1cn[nH]n1,XOEIDKDBUSCIPD-PXYINDEMSA-N
rxn:2:112079:170060,CSc1ncc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)cn1,CLIYCZATOFPNQQ-UHFFFAOYSA-N
rxn:2:88943:108959,CC(NC1CCC(OCCS(C)(=O)=O)CC1)c1ccc(-c2cccs2)cc1,TZXQLAXCXXHHBD-UHFFFAOYSA-N
rxn:2:110352:117995,CCCC(Cc1ccccc1C)NCC,JLMPDKUZORTDCU-UHFFFAOYSA-N
rxn:2:110352:119317,CCNC(c1ccc2c(c1)CCC2)C1CCCOC1,DBRAVQITEJLJOK-UHFFFAOYSA-N
rxn:2:142221:83505,CSC1CCCC(N[C@H](C)COc2ccc(C)cc2C)C1,RPMUUXLZERRFCR-KLAILNCOSA-N
rxn:2:110352:87593,CCNC(CC1CCCC1)c1ccc(OC)c(C)c1C,NDCSIYSOLMYRJQ-UHFFFAOYSA-N
rxn:2:130128:172375,CC(Nc1cnsc1)c1ccc(-c2cc3ccccc3o2)c2c1OCO2,MTHOHBKISOEISG-UHFFFAOYSA-N
rxn:2:131974:68807,Cc1ccsc1-c1ccc(C(C)NCCCc2cnccn2)s1,MLHDYSICCXJYDA-UHFFFAOYSA-N
rxn:2:71006:172265,CC(Nn1cn[nH]c1=O)c1ccc(-c2ccc(-c3cccs3)s2)s1,DOJAIGNEPMECGF-UHFFFAOYSA-N
rxn:2:91798:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCC#Cc1ccc(OCCN(C)C)cc1,SBKOEAUZXKAMLP-UHFFFAOYSA-N
rxn:2:141397:172226,CNC(Cc1ccccc1)c1ccc(-c2cscc2C)cc1,BHEQKQOPQLTNRG-UHFFFAOYSA-N
rxn:2:122468:127220,Cc1ccc(-c2cc(C(C)NCCCCc3cscn3)cs2)s1,UNVOVKGYGHRECQ-UHFFFAOYSA-N
rxn:2:120985:170060,Cc1cc(-c2ccc(CCC(C)NC3CCN(c4cc(=O)[nH]cn4)CC3)cc2)cs1,DPKYRWQQFLBTGY-UHFFFAOYSA-N
rxn:2:135125:120822,COc1ncc(C#CCNC(C)c2ccc(-c3ccc(C)s3)cc2)cn1,MOIWYPRLTPWOTA-UHFFFAOYSA-N
rxn:2:92382:107567,CSCC(Nc1cn[nH]c1)c1cc2ccccc2o1,AYGLOWKOIIKYHK-UHFFFAOYSA-N
rxn:2:77440:170548,CC(Nc1cnon1)c1cccc2cc3ccccc3cc12,SSKLOHSTJVKWNO-UHFFFAOYSA-N
rxn:2:85158:142183,N=CCNCC#Cc1coc2ccccc12,SPYGVPNRMMRBEG-UHFFFAOYSA-N
rxn:2:80519:116515,CC(NCCCc1c[nH]c(=S)[nH]1)c1ccc(-c2cccs2)nc1,UFYHZBTYYTUSAQ-UHFFFAOYSA-N
rxn:2:131974:78538,Cc1ccsc1-c1ccc(C(C)NCCCc2cnccn2)cc1,FBWWTJXEZZYMRT-UHFFFAOYSA-N
rxn:2:122334:142183,CCC(C)[C@H](NCC=N)c1ccc2ccccc2c1,AKWQBTBHTLDKFC-RUINGEJQSA-N
rxn:2:164315:169340,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(-c2cc3ccccc3s2)s1,QJQIRMGMNYFPCL-UHFFFAOYSA-N
rxn:2:128738:170060,CCn1ccc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)n1,HAWRLTWNSNEFRG-UHFFFAOYSA-N
rxn:2:92934:85686,CC(NCC#Cc1ccc2[nH]nnc2c1)c1csc(-c2cccs2)c1,KLUPTOYHXPLJHK-UHFFFAOYSA-N
rxn:2:127683:146533,CSCC#CCNC(C)c1ccc(-c2ccc3cnoc3c2)s1,NPPWOZXLDROAAR-UHFFFAOYSA-N
rxn:2:83688:91563,Cc1cc(-c2ccco2)ccc1C(C)NCC1CC1c1ccc(S(C)(=O)=O)cc1,NAZVWNNJIYNVLU-UHFFFAOYSA-N
rxn:2:100083:172265,Cc1ncc(CCCNC(C)c2ccc(-c3ccc(-c4cccs4)s3)s2)cn1,TZIBANKJOBDZRE-UHFFFAOYSA-N
rxn:2:123716:173095,CC(NCc1cnoc1)c1ccc2sc3ccccc3c2c1,RWFCQWPDMIXYIV-UHFFFAOYSA-N
rxn:2:167169:129753,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cnn(C)c2)cc1,FPVXNTKINRYSAR-UHFFFAOYSA-N
rxn:2:137922:92488,CCOc1ncc(C#CCNC(C)c2cc(-c3ccsc3)cs2)cn1,QLPXCVQUQVFPHA-UHFFFAOYSA-N
rxn:2:140720:108959,CC(NCC#Cc1csc(Cn2cccn2)c1)c1ccc(-c2cccs2)cc1,NUAUKCQASGAVLU-UHFFFAOYSA-N
rxn:2:73951:87722,CCOc1ccc(C(C)Nc2cn[nH]c(=O)c2)cc1C,KUIPBIFIAQULKI-UHFFFAOYSA-N
rxn:2:76322:116515,CC(NC1CCN(c2cnsn2)CC1)c1ccc(-c2cccs2)nc1,ZDIFCTHOHBEJCQ-UHFFFAOYSA-N
rxn:2:144681:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCCC#Cc1ccc2[nH]c(=O)oc2c1,HBFIYNAKHRJOAJ-UHFFFAOYSA-N
rxn:2:134916:152911,C=C=CCNC(C)c1ccc(-c2ccc3ncsc3c2)c2c1OCO2,FLEASEFFKJWOGA-UHFFFAOYSA-N
rxn:2:97024:160916,C(#Cc1cscn1)CCNC1CCN(c2ccc3sccc3c2)CC1,DJDKGXLWJNCZQT-UHFFFAOYSA-N
rxn:2:101493:142183,CC(C)CC(Cc1ccc2ccccc2c1)NCC=N,CUWXWWUMQULBDR-UHFFFAOYSA-N
rxn:1:41918:39124,CNCc1cn(-c2ccc(Cl)cc2I)nn1,INTDCCGSPOYDHH-UHFFFAOYSA-N
rxn:2:108320:107408,Cc1ncc(C#CCCNC(C)c2ccc(-c3ccsc3)s2)cn1,SDJDMJOBZJNQBY-UHFFFAOYSA-N
rxn:2:113672:169412,Cc1csc(-c2ccc(CCC(C)NCCC3CC3c3cc[nH]c3)cc2)c1,SKKLFDJWVONBAF-UHFFFAOYSA-N
rxn:2:162493:144172,Cc1ccc2cc(C(C)NCC#Cc3ccc4c(=O)[nH]cnc4c3)ccc2n1,WMULLVRVXNFQCJ-UHFFFAOYSA-N
rxn:2:105485:107408,CC(NCc1ccc(N2CCC(N(C)C)CC2)cc1)c1ccc(-c2ccsc2)s1,NMZWIUMKIHBOKM-UHFFFAOYSA-N
rxn:2:146036:141988,Cc1cc(-c2ccc(C(C)NCC3CC3c3ccc4[nH]c(=O)[nH]c4c3)s2)cs1,YCMXEHYZAKUJDU-UHFFFAOYSA-N
rxn:2:141397:155258,CNC1CCc2cc(-c3ccco3)ccc21,KWBBAQYTNWOOBG-UHFFFAOYSA-N
rxn:2:87202:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NCCc1cn[nH]c1,HZQWNXCMPFSODT-UHFFFAOYSA-N
rxn:2:128024:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCCS(C)(=O)=O,VNKVOWPVMSIXMZ-UHFFFAOYSA-N
rxn:2:113672:108959,CC(NCCC1CC1c1cc[nH]c1)c1ccc(-c2cccs2)cc1,JJENCJTVLNQTCL-UHFFFAOYSA-N
rxn:2:110352:119703,CCNC(Cc1ccccc1C)c1cccnc1,XSQGRVXZHWTEET-UHFFFAOYSA-N
rxn:2:160401:169594,CC(NCCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc2c(ccc3ccccc32)c1,XFDGAIFYNKUCKO-UHFFFAOYSA-N
rxn:2:167592:67655,CC(NCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2ccccc2)cc1,BNFSVCSPRXSXDR-UHFFFAOYSA-N
rxn:2:117045:161514,CC(NCC#Cc1cc[nH]n1)c1cc(-c2ccc3c(c2)CC3)cs1,GDHFVNMEKSMFLL-UHFFFAOYSA-N
rxn:2:73728:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NC1CC1,CTSAFPSWHPBMKU-UHFFFAOYSA-N
rxn:2:105080:170892,CC(NCCc1cc[nH]c1)c1ccc(-c2cc3sccc3s2)s1,KWNWXZWAHWUZFZ-UHFFFAOYSA-N
rxn:2:114213:159185,C=C=CC(Nc1c[nH][nH]c1=O)c1ccc2ccccc2c1,UULLABSQJLQKTQ-UHFFFAOYSA-N
rxn:2:66657:73940,CSCC(NC(c1nnn[nH]1)c1ccco1)c1ccc(C)c(C)c1,NZXOEVGDJUUJFI-UHFFFAOYSA-N
rxn:2:132373:126659,Cc1ccc2sc(C(C)NCC#Cc3c[nH]cn3)cc2c1,DEAZPIKCLXFCFH-UHFFFAOYSA-N
rxn:2:94862:66791,Cc1csc(-c2csc(C(C)NCc3cc(=O)[nH][nH]3)c2)c1,YNHGXRWLGACKMM-UHFFFAOYSA-N
rxn:2:100097:170892,CC(NC1CCC(CCN(C)C)CC1)c1ccc(-c2cc3sccc3s2)s1,VLEKFQREQXBQFW-UHFFFAOYSA-N
rxn:2:82131:170892,CC(NCC#Cc1ccc(N(C)C)nc1)c1ccc(-c2cc3sccc3s2)s1,OBGJJXFSYKZTIZ-UHFFFAOYSA-N
rxn:2:150747:123403,Cc1ccc2cc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)sc2c1,WNGSUFBQJAAEFK-UHFFFAOYSA-N
rxn:2:77560:151179,CC(Nc1cnoc1)c1ccc2c(c1)-c1ccccc1-2,GYTJFQDBWQFVIP-UHFFFAOYSA-N
rxn:2:97900:91563,Cc1cc(-c2ccco2)ccc1C(C)Nc1n[nH]c2[nH]ncc12,QVAWDCMATALKEY-UHFFFAOYSA-N
rxn:2:70925:68807,Cc1ccsc1-c1ccc(C(C)NCCC2CC2c2ccc[nH]2)s1,GEQHVERGQXGVAA-UHFFFAOYSA-N
rxn:2:125874:141988,Cc1cc(-c2ccc(C(C)NCCCc3ccc4[nH]c(=O)sc4c3)s2)cs1,RBOBJWJHSJIYRX-UHFFFAOYSA-N
rxn:2:90771:169412,Cc1csc(-c2ccc(CCC(C)NC3CCN(c4ncc[nH]c4=O)CC3)cc2)c1,WJBIXQQLFOQORV-UHFFFAOYSA-N
rxn:2:73728:71708,Cc1ccc(C)c(CC(CC2CC2)NC2CC2)c1,OPVFIMYEBMNLST-UHFFFAOYSA-N
rxn:2:101439:120181,COc1cnc(C#CCNC(C)c2ccc(-c3ccsn3)cc2)nc1,NFFZQMIEHRLPFH-UHFFFAOYSA-N
rxn:2:89554:66791,Cc1csc(-c2csc(C(C)NCC#Cc3cnc4nc[nH]c4c3)c2)c1,DCKYVRSXDVHYAG-UHFFFAOYSA-N
rxn:2:116191:96010,Cc1cc(C#CCCNC(C)c2ccc(-c3ccsc3)cc2)cs1,KNVHCSNZCQCCIY-UHFFFAOYSA-N
rxn:2:160800:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCCC#Cc1ccc2nc[nH]c(=O)c2c1,SJXGVZGTJLWZAB-UHFFFAOYSA-N
rxn:2:94771:169856,CC(Nn1cnnc1)c1cccc2c1sc1ccccc12,XBOQLOGGCLJWFF-UHFFFAOYSA-N
rxn:2:92618:170892,CC(NCCn1cn[nH]c1=O)c1ccc(-c2cc3sccc3s2)s1,YQBJHQWZPHXAGJ-UHFFFAOYSA-N
rxn:2:138107:120822,Cc1nsc(C#CCNC(C)c2ccc(-c3ccc(C)s3)cc2)n1,AJCNACWSJAIWEH-UHFFFAOYSA-N
rxn:2:81024:69788,COCOc1cccc(C(C)NCC2CCc3c(C)csc32)c1,ICTTUIUKBFKQCF-UHFFFAOYSA-N
rxn:2:88848:169851,CSc1ccc(-c2ccc(C(C)NCCC#Cc3ncccn3)cc2)cc1,CWYFZXJZLANYPM-UHFFFAOYSA-N
rxn:2:92660:96010,CSCc1ncc(CCNC(C)c2ccc(-c3ccsc3)cc2)cn1,HUXCQOWIXIBFNK-UHFFFAOYSA-N
rxn:2:94771:92656,c1coc(-c2ccc(C(Nn3cnnc3)C3CC3)cc2)c1,BALSBPMGEUGJBU-UHFFFAOYSA-N
rxn:2:125739:170060,Cc1cc(-c2ccc(CCC(C)NCC(C)CSc3ncn[nH]3)cc2)cs1,VNRGSJGJTIHILW-UHFFFAOYSA-N
rxn:2:167169:171392,O=c1[nH]c2ccc(C#CCNC3CCC(c4csc5ccccc45)CC3)cc2s1,MVOSQZMYJGUXLI-UHFFFAOYSA-N
rxn:2:112098:170892,COc1ccc(CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,DHIJHSLQJDPVIS-UHFFFAOYSA-N
rxn:2:69935:70192,Cc1ccc(OCCC(C)Nc2csnn2)c(C)c1,GDZRBBIWSLBAHE-UHFFFAOYSA-N
rxn:2:70378:141988,Cc1cc(-c2ccc(C(C)NCCCCc3cc[nH]c3)s2)cs1,JWSGPTNSXBHLGI-UHFFFAOYSA-N
rxn:2:138255:69508,CCC(N[C@H]1CC[C@@H](CCN(C)C)CC1)c1ccc(-c2ccsc2)cc1,FHSLUYDPNFFUSK-ZRLIKSCUSA-N
rxn:2:83604:71708,Cc1ccc(C)c(CC(CC2CC2)NCC2N=N2)c1,DLOPHRTZHDFPTO-UHFFFAOYSA-N
rxn:2:131003:91563,Cc1cc(-c2ccco2)ccc1C(C)NC1Cc2cn[nH]c2C1,VJHPDNKGTPHCJK-UHFFFAOYSA-N
rxn:2:69232:81963,CC(CCc1ccc2[nH]ccc2c1)NCCCc1ccoc1,JDCLCNZNHOYEKE-UHFFFAOYSA-N
rxn:2:138076:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCc1ccon1,LQPJRQHVNSSIKQ-UHFFFAOYSA-N
rxn:2:160401:170060,Cc1cc(-c2ccc(CCC(C)NCCC#Cc3cnc4[nH]c(=O)oc4c3)cc2)cs1,POAWDUVPTTZKFK-UHFFFAOYSA-N
rxn:2:142139:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cnn(C)c3C)cc2)cs1,JEACMHACBDEFDQ-UHFFFAOYSA-N
rxn:2:166241:159692,O=c1[nH]c(=O)c2cc(C#CCNC3CCc4cc(-c5cccs5)ccc43)ccc2[nH]1,CVDOLVSNHRBBOF-UHFFFAOYSA-N
rxn:2:66959:170060,CSCC[C@H](NC(C)CCc1ccc(-c2csc(C)c2)cc1)c1nn[nH]n1,OWEPSTWUQNQJEE-PKDNWHCCSA-N
rxn:2:108320:78538,Cc1ncc(C#CCCNC(C)c2ccc(-c3sccc3C)cc2)cn1,XVFGFYCBKOMHKO-UHFFFAOYSA-N
rxn:2:95795:123403,Cc1ccc2cc(C(C)NCCCc3cnc(C)cn3)sc2c1,DZVZDRJQHHXAMQ-UHFFFAOYSA-N
rxn:2:141204:76379,CC(NCCC#Cc1ccc2[nH]ccc2c1)c1ccc(-c2cscn2)cc1,WEBAHQJPPORNJK-UHFFFAOYSA-N
rxn:2:141397:167458,CNC1COc2cc(-c3ccsc3)ccc21,RSQYVXXMTZKKPM-UHFFFAOYSA-N
rxn:2:89902:112151,CC(NC1CCN(c2nccs2)CC1)c1ccc(-c2cccs2)s1,OZQCNOWNMMKAQT-UHFFFAOYSA-N
rxn:2:123785:107408,CC(NCCCCc1ccc2[nH]cnc2c1)c1ccc(-c2ccsc2)s1,PBTUVROFAXDXCF-UHFFFAOYSA-N
rxn:2:167592:172450,CC(NCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2cnc3ccccc3c2)cc1,AJGGWNXHPWBWSH-UHFFFAOYSA-N
rxn:2:141847:170858,Cc1csc(-c2ccc(C(C)Nn3cnnn3)cc2C)c1,VLIRMAGJMVMOBX-UHFFFAOYSA-N
rxn:2:127150:96010,CC(NCC1CCC(CN(C)C)CC1)c1ccc(-c2ccsc2)cc1,QXPCUHXTMUWMSH-UHFFFAOYSA-N
rxn:2:70378:96010,CC(NCCCCc1cc[nH]c1)c1ccc(-c2ccsc2)cc1,SJRRLZCUMCYSIN-UHFFFAOYSA-N
rxn:2:75557:134261,CSc1ccc(-c2csc(C(C)NCCCc3nnn[nH]3)c2)cc1,XLGDTRQODJQBIK-UHFFFAOYSA-N
rxn:2:83170:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3ccncn3)cc2)c1,COYSSYJJSFQMRN-UHFFFAOYSA-N
rxn:2:138470:142183,CCCCC(NCC=N)c1c(C)cc(C)cc1C,QRVJKMCEPZHVFX-UHFFFAOYSA-N
rxn:2:142314:120181,CC(NCC#Cc1ccc2[nH]ccc(=O)c2c1)c1ccc(-c2ccsn2)cc1,WSAKSYXBPBXRPA-UHFFFAOYSA-N
rxn:2:78484:102373,Cc1ccc(C#CCCNC2CC(c3ccc(C)s3)C2)cn1,ULCSYQYKMREJMS-UHFFFAOYSA-N
rxn:2:167169:141122,O=c1[nH]c2ccc(C#CCNC3CC(c4ccc5c(c4)OCCO5)C3)cc2s1,BRYCLIJQAKOYLA-UHFFFAOYSA-N
rxn:2:74393:68807,Cc1ccsc1-c1ccc(C(C)NCc2ncno2)s1,YYBFEYJYYJHHRC-UHFFFAOYSA-N
rxn:2:110768:170411,CCSc1ccc(-c2ccc(C(C)NCC#Cc3cnc4[nH]ncc4c3)c(C)c2)cc1,KRVBHTXRPPZOQJ-UHFFFAOYSA-N
rxn:2:67778:148477,CC(NCCC#Cc1cncnc1)c1ccc2c(c1)CCc1ccccc1-2,PTHLCNCHBVWSDZ-UHFFFAOYSA-N
rxn:2:91968:125333,CCC(NCCc1n[nH]nc1C)c1ccc(-c2cc[nH]c2)cc1,YNNZTFAYEXIBEG-UHFFFAOYSA-N
rxn:2:75557:173095,CC(NCCCc1nnn[nH]1)c1ccc2sc3ccccc3c2c1,GGQYXAGQEOGFHL-UHFFFAOYSA-N
rxn:2:77984:90451,CCCn1nnc(CNC(C)c2cc3cc(OC)ccc3s2)c1C1CC1,FEYPTHUJHKYQNZ-UHFFFAOYSA-N
rxn:2:112098:170060,COc1ccc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)cn1,KJVMUMRHYYBNKO-UHFFFAOYSA-N
rxn:2:113731:108959,CC(NCCCc1cnc2[nH]ccc2c1)c1ccc(-c2cccs2)cc1,NKXUBZWIGSJDEV-UHFFFAOYSA-N
rxn:2:76625:148477,CC(NCCC#Cc1cnc[nH]1)c1ccc2c(c1)CCc1ccccc1-2,XZPHQFUZWWOLOE-UHFFFAOYSA-N
rxn:2:97900:97563,CCOc1ccc(C(CC)Nc2n[nH]c3[nH]ncc23)cc1C,KMHMGMTUUSARGC-UHFFFAOYSA-N
rxn:2:131003:94314,Cc1cccc2c(C(C)NC3Cc4cn[nH]c4C3)csc12,YGDLSMQXNVETMM-UHFFFAOYSA-N
rxn:2:109311:146533,CC(NCc1ccno1)c1ccc(-c2ccc3cnoc3c2)s1,IVQLWTHZLYGDKJ-UHFFFAOYSA-N
rxn:2:106616:70192,Cc1ccc(OCCC(C)NCc2cnsc2)c(C)c1,UNXLMTBAUGKYDC-UHFFFAOYSA-N
rxn:2:113732:151136,CC(NCC#Cc1ccc2cc[nH]c2c1)c1cc2cc(-c3cc[nH]c3)ccc2o1,FKSLBUKOANBHIJ-UHFFFAOYSA-N
rxn:2:141819:170813,CCC(NCCc1n[nH]c(=O)o1)c1ccc(-c2cc3cc(OC)ccc3o2)cc1,KMHSSYFKWCGSJG-UHFFFAOYSA-N
rxn:2:142622:159692,O=c1[nH]c2ccc(C#CCCNC3CCc4cc(-c5cccs5)ccc43)cc2s1,NNHXIUZUWGHKDI-UHFFFAOYSA-N
rxn:2:141695:72893,CCc1ccc(C(CSC)NC(CCSC)c2nnn[nH]2)cc1,YJGZXYCKAHBLQA-UHFFFAOYSA-N
rxn:1:43730:8774,NCCc1cn(-c2ccc(Br)cc2I)nn1,BQDSJERYDLDKHE-UHFFFAOYSA-N
rxn:2:141032:67686,COc1cccc(C(CN2CC2)NC[C@H]2C[C@@H]2C)c1,QCFSNEZZKGYJPO-XNVGXSDDSA-N
rxn:2:110222:171152,CC(NCCCc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2ccc3c(c2)oc2ccccc23)s1,AHYWCLHYXRNWHZ-UHFFFAOYSA-N
rxn:2:79495:170060,Cc1cc(-c2ccc(CCC(C)NCCC3CC3c3cn(C)cn3)cc2)cs1,NCKJUCCMNGLWEV-UHFFFAOYSA-N
rxn:2:92382:100719,CCC(Nc1cn[nH]c1)c1ccc2ccccc2c1,VZUWPOHKZDYFEH-UHFFFAOYSA-N
rxn:2:86811:94314,Cc1cccc2c(C(C)NC3CCC(CC4CCN(C)C4)CC3)csc12,KQDQBBPCXNDPIO-UHFFFAOYSA-N
rxn:2:71745:172618,Cc1nc2c([nH]1)CC(CCCNC(C)c1cc(-c3cc4sccc4s3)cs1)CC2,CSAVAPUCAICGPS-UHFFFAOYSA-N
rxn:2:99084:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3c[nH]nn3)c2)cc1C,SCFLHZPRFFHLHF-UHFFFAOYSA-N
rxn:2:93278:94314,Cc1cccc2c(C(C)NC(C)Cc3nc[nH]n3)csc12,HBYJEGXVSAQMNJ-UHFFFAOYSA-N
rxn:2:76500:74293,COc1ccccc1C(CN1CC1)Nc1csc2c1CSC2,RFASZVXJGHSCEY-UHFFFAOYSA-N
rxn:2:144636:172076,O=c1[nH]c2ccc(C#CCCNC3CCC(c4nc(-c5cccs5)cs4)CC3)cc2[nH]1,QTFMIFLEOINPEH-UHFFFAOYSA-N
rxn:2:137816:91563,CSc1ncc(C#CCNC(C)c2ccc(-c3ccco3)cc2C)cn1,DSBWCOINYXHBOB-UHFFFAOYSA-N
rxn:2:71072:142136,Cc1ccc2c(c1)CC(NC(C)Cc1cn[nH]c1)CC2,WRASZUCFPGXTKR-UHFFFAOYSA-N
rxn:2:66959:82123,CCC(N[C@@H](CCSC)c1nn[nH]n1)C(C)Cc1ccc(C)cc1C,IYKPMEFSGGVWFM-VJFUWPCTSA-N
rxn:2:138508:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NCC#Cc1ccccc1,BOHKKJNEXBHDGO-UHFFFAOYSA-N
rxn:2:167169:162236,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2nc3ccccc3[nH]2)cc1,CGZJVXKOXLNNKS-UHFFFAOYSA-N
rxn:2:92382:81254,CCC(Nc1cn[nH]c1)c1ccc(OC)c(C)c1,MZPDIJQRVFEGFA-UHFFFAOYSA-N
rxn:2:116138:68807,Cc1ccsc1-c1ccc(C(C)NCCC2CC2c2ncc[nH]2)s1,QJTQMIDKVXPDRT-UHFFFAOYSA-N
rxn:2:83170:114519,Cc1sccc1-c1ccc(C(C)NCCCc2ccncn2)cc1,LHEPHICWKOGKJO-UHFFFAOYSA-N
rxn:2:90771:170060,Cc1cc(-c2ccc(CCC(C)NC3CCN(c4ncc[nH]c4=O)CC3)cc2)cs1,KCAFXSFGWKOSPA-UHFFFAOYSA-N
rxn:2:114435:170060,Cc1cc(-c2ccc(CCC(C)NCCSCc3nnc(C)n3C)cc2)cs1,BIIRAGFKCMTFPA-UHFFFAOYSA-N
rxn:2:134247:108959,COc1ccc(C#CCNC(C)c2ccc(-c3cccs3)cc2)cn1,ZUNPHIRDLFPMET-UHFFFAOYSA-N
rxn:2:96388:143698,C(#Cc1nccs1)CCNC1CC(c2ccc3ccccc3c2)C1,RYUVDKZBXWRFRI-UHFFFAOYSA-N
rxn:2:95601:96010,CC(NCC#Cc1cnn(-c2ncccn2)c1)c1ccc(-c2ccsc2)cc1,HAMWQTJXISTSAJ-UHFFFAOYSA-N
rxn:2:97946:102373,Cc1ccc(C2CC(NCCC#Cc3ccc(S(C)(=O)=O)cc3)C2)s1,LPANRWWYJWCVNU-UHFFFAOYSA-N
rxn:2:109788:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cn(C)cn3)cc2)cs1,UULWWRSDMKUHDB-UHFFFAOYSA-N
rxn:2:122744:170060,COc1cncc(C#CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)c1,YONQWKPRMXAVDD-UHFFFAOYSA-N
rxn:2:110768:96010,CC(NCC#Cc1cnc2[nH]ncc2c1)c1ccc(-c2ccsc2)cc1,OOFHTAVTJAKFFD-UHFFFAOYSA-N
rxn:2:162493:143698,O=c1[nH]cnc2cc(C#CCNC3CC(c4ccc5ccccc5c4)C3)ccc12,GNTMRJALLGMRRR-UHFFFAOYSA-N
rxn:2:74972:168058,COc1ccc2c(c1)CCc1cc(C(C)NCc3nnn[nH]3)ccc1-2,VMIHJVRPFLZUEZ-UHFFFAOYSA-N
rxn:2:83427:158906,COc1cnc2ccc(C(C)Nc3ccc(-c4cnccc4C)cc3)cc2n1,UOFWNZLEZWKRSF-UHFFFAOYSA-N
rxn:2:83460:170858,CCC(NC(C)c1ccc(-c2cc(C)cs2)c(C)c1)c1nnn[nH]1,BSXIISYPNVIEQP-UHFFFAOYSA-N
rxn:2:126579:149524,Cc1cc(C#CCNC2CCN(c3ccc4[nH]ccc4c3)CC2)cs1,HETXTUKFGKVIOB-UHFFFAOYSA-N
rxn:2:68618:94314,Cc1cccc2c(C(C)NCC#Cc3ccc(-c4c[nH]cn4)cc3)csc12,XGBLRIMSHXGIRO-UHFFFAOYSA-N
rxn:2:140720:96010,CC(NCC#Cc1csc(Cn2cccn2)c1)c1ccc(-c2ccsc2)cc1,VZFNQPBHSHUFLZ-UHFFFAOYSA-N
rxn:2:120823:169412,Cc1csc(-c2ccc(CCC(C)NCCCOc3nccc(C)n3)cc2)c1,GZDTUMIPAGNQGU-UHFFFAOYSA-N
rxn:2:105485:122855,CC(NCc1ccc(N2CCC(N(C)C)CC2)cc1)c1ccc(-c2cccs2)s1,ZIWBGHIMYHHIQB-UHFFFAOYSA-N
rxn:2:132071:108959,CC(NCCC1CC1c1cscn1)c1ccc(-c2cccs2)cc1,KCPJUJVMXNJGFN-UHFFFAOYSA-N
rxn:2:137534:172893,Cc1cc(-c2ccc3sccc3c2)ccc1C(C)NCCc1nnco1,PURGXTAMUPMGMA-UHFFFAOYSA-N
rxn:2:88304:70192,Cc1ccc(OCCC(C)Nc2ccno2)c(C)c1,DYSUODMERREZAG-UHFFFAOYSA-N
rxn:2:91097:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3cncnc3)c2)cc1C,KNSSLFWRTXYBOO-UHFFFAOYSA-N
rxn:2:96838:172375,CC(NC1COCOC1)c1ccc(-c2cc3ccccc3o2)c2c1OCO2,FFWSFHFPWNXNHZ-UHFFFAOYSA-N
rxn:2:153741:142183,N=CCNC(c1csc2ccccc12)C1CCOCC1,WQXNAUNHYYNHCB-UHFFFAOYSA-N
rxn:2:145188:170892,CC(NCCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2cc3sccc3s2)s1,KBMBHEQMTGKUBE-UHFFFAOYSA-N
rxn:2:73576:170411,CCSc1ccc(-c2ccc(C(C)NCCCc3c[nH][nH]c3=O)c(C)c2)cc1,JDZCSFLZRFIAGV-UHFFFAOYSA-N
rxn:2:104748:120822,Cc1ccc(-c2ccc(C(C)NCCc3c[nH]cn3)cc2)s1,PAHGIPBRZDPRRT-UHFFFAOYSA-N
rxn:2:97024:72767,COc1ccc(C2CCC(NCCC#Cc3cscn3)CC2)cc1,FGDWEDXPLQVPTD-UHFFFAOYSA-N
rxn:2:141397:155734,CNC(C)c1cc(-c2ccc(OC)cc2C)cs1,XHVZUCPSSYIERY-UHFFFAOYSA-N
rxn:2:85225:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3c[nH]c(C)c3C)cc2)c1,NDXNGWUEHXMPGQ-UHFFFAOYSA-N
rxn:2:70925:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCC1CC1c1ccc[nH]1,QVZAYFKYGTXPAL-UHFFFAOYSA-N
rxn:2:128535:169305,CCCCCNC(C)c1ccc(-c2cc3ccccc3o2)cc1C,YKHMEQNGHDAVKB-UHFFFAOYSA-N
rxn:2:91779:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3ccc4[nH]c(=O)oc4c3)cc2)c1,SWBYBIUPNQXLGM-UHFFFAOYSA-N
rxn:2:110768:111147,CC(NCC#Cc1cnc2[nH]ncc2c1)c1ccc(-c2nccs2)cc1,SGRYLJXMPDAXKG-UHFFFAOYSA-N
rxn:2:167169:92488,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1cc(-c2ccsc2)cs1,HLOSLFAXHHYPCV-UHFFFAOYSA-N
rxn:2:138043:67686,COc1cccc(C(CN2CC2)Nc2ccc(C)c(C)c2C)c1,DUBBJZGSIBNNRW-UHFFFAOYSA-N
rxn:2:106642:96010,CC(NCCCc1ccnnc1)c1ccc(-c2ccsc2)cc1,BDSCKDVFIJXEJE-UHFFFAOYSA-N
rxn:2:141397:172375,CNC(C)c1ccc(-c2cc3ccccc3o2)c2c1OCO2,WCZCDFSFSYOLMZ-UHFFFAOYSA-N
rxn:2:91952:142183,Cc1csc2ccc(CNCC=N)cc12,OHJVNCDYNYZGAU-UHFFFAOYSA-N
rxn:2:97024:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCC#Cc1cscn1,IYUUIEQCEIIUQJ-UHFFFAOYSA-N
rxn:2:117045:170892,CC(NCC#Cc1cc[nH]n1)c1ccc(-c2cc3sccc3s2)s1,COYBWKDYRXASIL-UHFFFAOYSA-N
rxn:2:93066:170060,Cc1cc(-c2ccc(CCC(C)NCCC#CCN3CCC3)cc2)cs1,HWMPOKKFYXRQHT-UHFFFAOYSA-N
rxn:2:97063:96010,CC(NCCSc1cnn[nH]1)c1ccc(-c2ccsc2)cc1,IHJKXFKKJMSCLK-UHFFFAOYSA-N
rxn:2:169492:142183,CCCC(NCC=N)c1ccc2cc3ccccc3cc2c1,DSICZEAWGVRASC-UHFFFAOYSA-N
rxn:2:130209:78538,Cc1ccsc1-c1ccc(C(C)NCCC#Cc2cnccn2)cc1,YSGBNAPSJCVOQM-UHFFFAOYSA-N
rxn:2:110247:112875,CS(=O)(=O)c1cccc(C#CCNC2CC(C#Cc3cccs3)C2)c1,RJZLSZPGBDONJT-UHFFFAOYSA-N
rxn:2:111913:108959,COCc1cc(C#CCCNC(C)c2ccc(-c3cccs3)cc2)cs1,UFDGDSIBQVLRJJ-UHFFFAOYSA-N
rxn:2:129122:170060,COc1cc(C#CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)ccn1,OAHRQIDDPSCSRN-UHFFFAOYSA-N
rxn:2:146036:172618,CC(NCC1CC1c1ccc2[nH]c(=O)[nH]c2c1)c1cc(-c2cc3sccc3s2)cs1,LHYTUQDWOPSCNV-UHFFFAOYSA-N
rxn:2:116191:115810,Cc1cc(C#CCCNC2CC(c3n[nH]c(=S)n3C)C2)cs1,RIIDBIONRMEARK-UHFFFAOYSA-N
rxn:2:87990:74293,CCc1cc(NC(CN2CC2)c2ccccc2OC)cs1,XUYAVEZKYLDSCP-UHFFFAOYSA-N
rxn:2:107986:170892,COc1ccc(C#CCNC(C)c2ccc(-c3cc4sccc4s3)s2)c(C)n1,PAEWVKSGHYJUQJ-UHFFFAOYSA-N
rxn:2:117990:170060,Cc1cc(-c2ccc(CCC(C)NC3CCN(c4cn[nH]c(=O)c4)C3)cc2)cs1,NDPIBFYTQNFYGG-UHFFFAOYSA-N
rxn:2:163678:142183,N=CCNC(Cc1cccc2ccccc12)c1ccco1,MFRWAWOPUDZGRV-UHFFFAOYSA-N
rxn:2:71447:67686,COc1cccc(C(CN2CC2)Nc2ccc3ncsc3c2C)c1,NKCKSCUCIXICHZ-UHFFFAOYSA-N
rxn:2:140720:120181,CC(NCC#Cc1csc(Cn2cccn2)c1)c1ccc(-c2ccsn2)cc1,GUDPFOOZUQSEQY-UHFFFAOYSA-N
rxn:2:123413:108959,CC(NCCC#Cc1ccc(S(=O)(=O)F)cc1)c1ccc(-c2cccs2)cc1,INFCJNOQODENNL-UHFFFAOYSA-N
rxn:2:105485:92488,CC(NCc1ccc(N2CCC(N(C)C)CC2)cc1)c1cc(-c2ccsc2)cs1,OFLZWKPSUNBIQI-UHFFFAOYSA-N
rxn:2:122705:96010,CC(NCCCc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2ccsc2)cc1,GZQILNTZZWARIM-UHFFFAOYSA-N
rxn:2:145750:167914,O=c1[nH]c2ccc(C#CCCNC3CCc4ccc5ccccc5c4C3)cc2c(=O)o1,XTHHCFDNFWKSPI-UHFFFAOYSA-N
rxn:2:128000:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCC3N=N3)c2)cc1C,NYWDFNUVGQYYBW-UHFFFAOYSA-N
rxn:2:106758:112151,C[C@H](NC1CCN(c2nccs2)CC1)c1ccc(-c2cccs2)cc1,YTPZDPGZLWCMHP-HNNXBMFYSA-N
rxn:2:110352:150642,CCNC(c1cccnc1)c1csc2ccccc12,ZXCNYYLWJALIOX-UHFFFAOYSA-N
rxn:2:116138:170060,Cc1cc(-c2ccc(CCC(C)NCCC3CC3c3ncc[nH]3)cc2)cs1,LTJHBCJGYUZFIL-UHFFFAOYSA-N
rxn:2:91293:169810,COc1ccc2oc(-c3ccc(C(C)NCCCOC4COC4)c(C)c3)cc2c1,YHKUYZAORJNPCT-UHFFFAOYSA-N
rxn:2:160401:159800,COc1ccc(-c2ccc(C(C)NCCC#Cc3cnc4[nH]c(=O)oc4c3)cc2)cc1,LZQDFDDYROTQGF-UHFFFAOYSA-N
rxn:2:125962:112151,C[C@@H](NC1CCN(c2nccs2)CC1)c1ccc(-c2cccs2)cc1,YTPZDPGZLWCMHP-OAHLLOKOSA-N
rxn:2:144636:85686,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1csc(-c2cccs2)c1,VSUQWDXLUUONMV-UHFFFAOYSA-N
rxn:2:119869:142183,Cc1cc(C)c(C#CCNCC=N)cc1C,RUYOYWMDSDYPEU-UHFFFAOYSA-N
rxn:2:82584:108959,CC(NCC#Cc1ccc2[nH]ccc2c1)c1ccc(-c2cccs2)cc1,BUPRQRNKQHMIIT-UHFFFAOYSA-N
rxn:2:136412:142183,COc1ccc2cc(NCC=N)ccc2c1,OXWLIKWTJHCIIH-UHFFFAOYSA-N
rxn:2:75948:170892,CC(NCCc1cncs1)c1ccc(-c2cc3sccc3s2)s1,USZVXMSTUFTJHT-UHFFFAOYSA-N
rxn:2:100318:133871,CSCC(Nc1cn[nH]c(=O)n1)c1ccc2c(c1)CCC2,SNIKXQBTNGTZBN-UHFFFAOYSA-N
rxn:2:141397:125240,CCc1cccc2c1CCC(NC)C2,AYUAQGRYOCMIEV-UHFFFAOYSA-N
rxn:2:78484:107408,Cc1ccc(C#CCCNC(C)c2ccc(-c3ccsc3)s2)cn1,ANLVQTJAQXEPBD-UHFFFAOYSA-N
rxn:2:66358:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCCCc1ccn[nH]1,CEFHGHQUWZBJFK-UHFFFAOYSA-N
rxn:2:138255:138122,CN(C)CC[C@H]1CC[C@@H](NC2CCc3sccc3C2)CC1,AEVSNYASHHMWDH-JGHJKYEYSA-N
rxn:2:113426:91563,Cc1cc(-c2ccco2)ccc1C(C)NCc1ccc(-c2ccc(=O)[nH]n2)cc1,UOCMHUJAAHVRJP-UHFFFAOYSA-N
rxn:2:90799:96010,CC(NCCCc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccsc2)cc1,VDINMPAMBZNHRA-UHFFFAOYSA-N
rxn:2:131652:142183,CC(C)C[C@@H](NCC=N)c1ccc2ccccc2c1,GMKFKDCNUBUDRS-QGZVFWFLSA-N
rxn:2:74168:126659,Cc1ccc2sc(C(C)NC3CC3c3c[nH]cn3)cc2c1,OVHMHAOPYLSRGS-UHFFFAOYSA-N
rxn:2:150747:141889,Cc1cccc(C2CCC(NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1,ADXLDYINEMSHJG-UHFFFAOYSA-N
rxn:2:122923:172076,O=c1[nH]c2ccc(CCCNC3CCC(c4nc(-c5cccs5)cs4)CC3)cc2[nH]1,OXZMJUWZAMYNKN-UHFFFAOYSA-N
rxn:2:86397:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3c[nH]c(C)n3)cc2)c1,FZHIBQSEXNQFJM-UHFFFAOYSA-N
rxn:2:171940:142183,N=CCN[C@H](c1ccc2ccccc2c1)C1CCCC1,YWDOBXKHFBSDTP-SFHVURJKSA-N
rxn:2:135125:120181,COc1ncc(C#CCNC(C)c2ccc(-c3ccsn3)cc2)cn1,RNMCMWMRYRXENK-UHFFFAOYSA-N
rxn:2:142622:97264,O=c1[nH]c2ccc(C#CCCNC3CC(C#Cc4ccccc4)C3)cc2s1,XQUQYHJWWYTARG-UHFFFAOYSA-N
rxn:2:102522:122855,COc1ccc(C#CCNC(C)c2ccc(-c3cccs3)s2)nn1,XIPUYQCOKRMZOH-UHFFFAOYSA-N
rxn:2:68525:114519,COCc1cc(C#CCNC(C)c2ccc(-c3ccsc3C)cc2)cs1,PCPZGBRKPKJCCM-UHFFFAOYSA-N
rxn:2:160401:170828,CC(NCCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2ccc3sccc3c2)s1,CQWVSECBDCZBCB-UHFFFAOYSA-N
rxn:2:75840:70812,C(#Cc1ccsc1)CNC1CCC(c2ccccc2)CC1,LGFNHZLAHBPFKI-UHFFFAOYSA-N
rxn:2:70440:110041,COc1ncc(CCCNC(C)c2csc(-c3ccsc3)c2)cn1,JNZGBDDWLPDUCQ-UHFFFAOYSA-N
rxn:2:148180:112875,O=c1[nH]c2ccc(C3CC3CNC3CC(C#Cc4cccs4)C3)cc2s1,KSNIZINFLSEAFO-UHFFFAOYSA-N
rxn:2:74199:166167,C(#Cc1cnc2cc[nH]c2c1)CCNC1CCc2c(ccc3ccccc23)C1,IQIYKXGTKVNQSQ-UHFFFAOYSA-N
rxn:2:113426:78538,Cc1ccsc1-c1ccc(C(C)NCc2ccc(-c3ccc(=O)[nH]n3)cc2)cc1,UJFFVLOKHFFRCJ-UHFFFAOYSA-N
rxn:2:131711:169810,COc1ccc2oc(-c3ccc(C(C)NCCCCS(C)(=N)=O)c(C)c3)cc2c1,YRCLBAUDVZYTBT-UHFFFAOYSA-N
rxn:2:145188:122855,CC(NCCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2cccs2)s1,BMIOMEPJYCDNAS-UHFFFAOYSA-N
rxn:2:91097:78538,Cc1ccsc1-c1ccc(C(C)NCCCc2cncnc2)cc1,KTRLNMHGKARYKR-UHFFFAOYSA-N
rxn:2:131705:88952,CC(CCCCc1cccs1)NCc1ccc(N2CCN(C)CC2)cc1,QAOMKKYSTCQIEU-UHFFFAOYSA-N
rxn:2:126814:67686,COc1cccc(C(CN2CC2)N[C@H]2C[C@@H](F)C2)c1,ALNRZODFOTVDQP-NNQSOWQGSA-N
rxn:2:110352:172062,CCCC(NCC)c1ccc(-c2cc3ccccc3s2)cc1,LUEZGWFDLYBAHY-UHFFFAOYSA-N
rxn:2:134698:117056,Cc1nc(C2CC(NC(C)c3ccc(-c4cccs4)cc3)C2)no1,QOJBCTZHIMQBTM-UHFFFAOYSA-N
rxn:2:73728:93647,CCCC(NC1CC1)c1ccc2ccccc2c1,FBNVYTNAFLGUJZ-UHFFFAOYSA-N
rxn:2:98749:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3nc(C)no3)c2)cc1C,BPDSVUPJFXMRRF-UHFFFAOYSA-N
rxn:2:69457:150277,COc1csc(-c2ccc(CCC(C)NCCc3cc(=O)[nH][nH]3)cc2)c1,LARSPFVRYHKWKN-UHFFFAOYSA-N
rxn:2:150732:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3ccc4c(=O)[nH]cnc4c3)cc2)cs1,PWZJTXMMCXAYHO-UHFFFAOYSA-N
rxn:2:70440:169412,COc1ncc(CCCNC(C)CCc2ccc(-c3cc(C)cs3)cc2)cn1,JXALTOZAOVNISJ-UHFFFAOYSA-N
rxn:2:88943:96010,CC(NC1CCC(OCCS(C)(=O)=O)CC1)c1ccc(-c2ccsc2)cc1,JVEMSUBMBQHFEU-UHFFFAOYSA-N
rxn:2:74139:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3csnn3)c2)cc1C,JGSIONNRIYFMID-UHFFFAOYSA-N
rxn:2:88943:107408,CC(NC1CCC(OCCS(C)(=O)=O)CC1)c1ccc(-c2ccsc2)s1,GITFCFACMQITRS-UHFFFAOYSA-N
rxn:2:160401:171392,O=c1[nH]c2ncc(C#CCCNC3CCC(c4csc5ccccc45)CC3)cc2o1,LRBCVCFQQCZUQE-UHFFFAOYSA-N
rxn:2:69444:82536,CC(CCCc1cccs1)NCCc1ccc(N2CCN(C)CC2)cc1,YSVCFHGXQKOFDP-UHFFFAOYSA-N
rxn:2:150747:117734,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccccn2)cc1,SNMBXOLXNLDITI-UHFFFAOYSA-N
rxn:2:114522:170060,Cc1cc(-c2ccc(CCC(C)NCCC#Cc3cn(C)cn3)cc2)cs1,WDDONZJALCTMSP-UHFFFAOYSA-N
rxn:2:99084:155734,COc1ccc(-c2csc(C(C)NCCCc3c[nH]nn3)c2)c(C)c1,CMOZRPYAFQBQBR-UHFFFAOYSA-N
rxn:2:69444:107408,CC(NCCc1ccc(N2CCN(C)CC2)cc1)c1ccc(-c2ccsc2)s1,VSVMADBKKXRJCX-UHFFFAOYSA-N
rxn:2:85140:122855,CC(CNC(C)c1ccc(-c2cccs2)s1)COC1CCN(C)CC1,FRTRMSYSBZPFCK-UHFFFAOYSA-N
rxn:2:87971:108959,CC(N[C@H]1CC[C@H](CCN(C)C)CC1)c1ccc(-c2cccs2)cc1,SIIVRGAKQHZZQI-KKUOWXDVSA-N
rxn:2:112154:117186,CC(NCC#Cc1ccc(S(C)(=O)=O)cc1)c1ccc2sccc2c1,DEFXINIMINQSLQ-UHFFFAOYSA-N
rxn:2:117725:71586,CN1CCN(c2ccc(C#CCCNC3CC(c4ccsc4)C3)cc2)CC1,MDDRCISAHJPPLS-UHFFFAOYSA-N
rxn:2:100306:170060,Cc1cc(-c2ccc(CCC(C)NC3CCN(c4cc(=O)[nH]cn4)C3)cc2)cs1,VBEQIZXOJMNZNW-UHFFFAOYSA-N
rxn:2:91798:122855,CC(NCC#Cc1ccc(OCCN(C)C)cc1)c1ccc(-c2cccs2)s1,LTICUDJHNFGZFE-UHFFFAOYSA-N
rxn:2:122468:68807,Cc1ccsc1-c1ccc(C(C)NCCCCc2cscn2)s1,UKNLAYIMQOQIAX-UHFFFAOYSA-N
rxn:2:123413:102373,Cc1ccc(C2CC(NCCC#Cc3ccc(S(=O)(=O)F)cc3)C2)s1,GUSIVGRGAPXHHT-UHFFFAOYSA-N
rxn:2:75840:149524,C(#Cc1ccsc1)CNC1CCN(c2ccc3[nH]ccc3c2)CC1,ZLVUUJDRWYAADZ-UHFFFAOYSA-N
rxn:2:89454:170060,Cc1cc(-c2ccc(CCC(C)NCCC3CC3c3cc[nH]n3)cc2)cs1,PKFVCZWZPQHYOA-UHFFFAOYSA-N
rxn:2:131506:126659,Cc1ccc2sc(C(C)NCCc3ccno3)cc2c1,CNNYCNWEWMJDOV-UHFFFAOYSA-N
rxn:2:131544:96010,COc1ccnc(CCCNC(C)c2ccc(-c3ccsc3)cc2)c1,NRZRNMIOYMIVCN-UHFFFAOYSA-N
rxn:2:87971:101283,CN(C)CC[C@H]1CC[C@H](NC2CC(c3cccs3)C2)CC1,AEUYSCPUILGBDN-WXFZTKORSA-N
rxn:2:105445:171492,CC(NCCC#Cc1cnc(-n2ccnc2)nc1)c1ccc(-c2cc3ccccc3s2)cc1,XXJRUPGDKZLMBI-UHFFFAOYSA-N
rxn:2:79392:173248,Cc1cc(C)c(-c2ccc(C(C)NCCCCc3cn[nH]c3)s2)cc1C,LVNKDOQBAXKYQI-UHFFFAOYSA-N
rxn:2:76009:66791,COc1cc(C#CCNC(C)c2cc(-c3cc(C)cs3)cs2)ncn1,ALUXTNOMHDLMPG-UHFFFAOYSA-N
rxn:2:134698:130974,CC(NC1CC(COc2cnccn2)C1)c1ccc(-c2cccs2)cc1,WGBUELRBPGTDBG-UHFFFAOYSA-N
rxn:2:114934:156984,COc1csc(-c2ccc(C(C)NCCC#Cc3cnc4nc[nH]c4c3)c(C)c2)c1,XRSCTVKNKYMWON-UHFFFAOYSA-N
rxn:2:70569:170892,CC(NCCC1CC1c1cnc2cn[nH]c2c1)c1ccc(-c2cc3sccc3s2)s1,RNVBBOIDWNIPFR-UHFFFAOYSA-N
rxn:2:87134:102373,CSc1cccc(C#CCCNC2CC(c3ccc(C)s3)C2)c1,HBGQSXCSQZSOCY-UHFFFAOYSA-N
rxn:2:124198:89838,Cc1nc2ccc(C(C)NCCC#Cc3ccsc3)cc2s1,HSTOREPSVGTZFC-UHFFFAOYSA-N
rxn:2:139659:108959,CC(NCCC1CC1c1c[nH]cn1)c1ccc(-c2cccs2)cc1,WLHIHNUZJXPKIS-UHFFFAOYSA-N
rxn:2:142033:111125,CONC(CCc1ccc(C)cc1C)C1CCCC1,DQPFNOXKPBDFKO-UHFFFAOYSA-N
rxn:2:141397:172480,CCCc1oc(-c2ccccc2)cc1C(C)NC,OFSPTWJGWVOBAN-UHFFFAOYSA-N
rxn:2:128153:68807,Cc1ccsc1-c1ccc(C(C)NCc2onc3ncoc23)s1,KFJBIUYLGXBGDL-UHFFFAOYSA-N
rxn:2:83579:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3nn[nH]n3)c2)cc1C,CVVSXPGELSJTNU-UHFFFAOYSA-N
rxn:2:86071:171001,CC(NCCC#Cc1cnc2[nH]ccc2c1)c1cc2cc(-c3ccc4[nH]ccc4c3)ccc2o1,KRTZPWYAQPXQOS-UHFFFAOYSA-N
rxn:2:68525:116515,COCc1cc(C#CCNC(C)c2ccc(-c3cccs3)nc2)cs1,FJILOQGAICAMIQ-UHFFFAOYSA-N
rxn:2:72890:78538,Cc1ccsc1-c1ccc(C(C)NCCCCc2c[nH]cn2)cc1,OCECAWRRJJRKNS-UHFFFAOYSA-N
rxn:2:105648:142183,C[C@H](Cc1ccc2c(c1)CCC2)NCC=N,FSSFUGMAVNIVKZ-LLVKDONJSA-N
rxn:2:117485:169400,CCC(NC1(c2nn[nH]n2)CCCC1)c1ccc(-c2ccc(C)s2)cc1C,NWFXYYRADYNPIQ-UHFFFAOYSA-N
rxn:2:141397:169197,CNC(C)c1cccc2c1ccc1ccccc12,VHLXNTCJUVFXFL-UHFFFAOYSA-N
rxn:2:89554:111147,CC(NCC#Cc1cnc2nc[nH]c2c1)c1ccc(-c2nccs2)cc1,ZPTWZUCBOGUTPV-UHFFFAOYSA-N
rxn:2:146036:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC3c3ccc4[nH]c(=O)[nH]c4c3)cc2)cs1,OPNABKZANPSEHQ-UHFFFAOYSA-N
rxn:2:92749:155104,CN(C)C(Cc1ccccc1)C(Nc1nnn[nH]1)c1cc2ccccc2o1,BGUGCFAWYSWNEA-UHFFFAOYSA-N
rxn:2:141397:73318,CNCC(c1ccc2ccccc2c1)C(C)C,OMWDBFLILPLGTP-UHFFFAOYSA-N
rxn:2:94771:169111,CC(Nn1cnnc1)c1ccc2ccc3ccccc3c2c1,QELDUZDNFRPYNS-UHFFFAOYSA-N
rxn:2:77202:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3cn[nH]c3)c2)cc1C,OYJQIICFCCFVIA-UHFFFAOYSA-N
rxn:2:84839:78538,COc1cc(C#CCNC(C)c2ccc(-c3sccc3C)cc2)ccn1,JGMKMMGAVYBYOU-UHFFFAOYSA-N
rxn:2:142622:166167,O=c1[nH]c2ccc(C#CCCNC3CCc4c(ccc5ccccc45)C3)cc2s1,TVKGEBDPWWOOFA-UHFFFAOYSA-N
rxn:2:104011:96010,CC(NCC#Cc1ccc(N2CCN(C)CC2)cc1)c1ccc(-c2ccsc2)cc1,UDPFWHALXOMACU-UHFFFAOYSA-N
rxn:2:154815:142183,Cc1cccc(C(NCC=N)c2ccc3c(c2)CCC3)c1,HUIOJMUQXQKJOU-UHFFFAOYSA-N
rxn:2:132396:108959,CC(NCCC1CC1c1ncccn1)c1ccc(-c2cccs2)cc1,WPWKLIBYESAYRS-UHFFFAOYSA-N
rxn:2:73659:142183,CC[C@H](NCC=N)c1ccc2ccccc2c1,WSWYNAKGTVPPOY-HNNXBMFYSA-N
rxn:2:68618:141988,Cc1cc(-c2ccc(C(C)NCC#Cc3ccc(-c4c[nH]cn4)cc3)s2)cs1,KAFKPNQNQANHPQ-UHFFFAOYSA-N
rxn:2:91779:92488,CC(NCCCc1ccc2[nH]c(=O)oc2c1)c1cc(-c2ccsc2)cs1,BUMNBGNUTALYKS-UHFFFAOYSA-N
rxn:2:91097:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3cncnc3)cc2)c1,OSZPHHKYNILCJG-UHFFFAOYSA-N
rxn:2:92934:169935,CC(=O)c1ccc(-c2ccc(SC(C)NCC#Cc3ccc4[nH]nnc4c3)cc2)s1,SJICUTAWOQIYJG-UHFFFAOYSA-N
rxn:2:82050:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCc1n[nH]c(=O)o1,ZRADJGIYMWTLLS-UHFFFAOYSA-N
rxn:2:102959:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NCC#Cc1cccs1,BNQPFBVACHMCCD-UHFFFAOYSA-N
rxn:2:68618:122855,CC(NCC#Cc1ccc(-c2c[nH]cn2)cc1)c1ccc(-c2cccs2)s1,UXKHYAZGXDGTKT-UHFFFAOYSA-N
rxn:2:114934:151136,CC(NCCC#Cc1cnc2nc[nH]c2c1)c1cc2cc(-c3cc[nH]c3)ccc2o1,XMOCEVJTRCWKGC-UHFFFAOYSA-N
rxn:2:108787:142183,CC[C@@H](NCC=N)c1ccc2ccccc2c1,WSWYNAKGTVPPOY-OAHLLOKOSA-N
rxn:2:162493:83197,O=c1[nH]cnc2cc(C#CCNC3CCC(Sc4cccs4)CC3)ccc12,PSRRFBUBVCXVMF-UHFFFAOYSA-N
rxn:2:107531:75228,Cc1ccc(CCC(C)NCc2nn[nH]n2)c(C)c1,XLAABBHQDDMPBT-UHFFFAOYSA-N
rxn:2:76044:81963,CC(CCc1ccc2[nH]ccc2c1)NCCCc1ccsc1,KACSVJQUVIPNGB-UHFFFAOYSA-N
rxn:2:122923:171392,O=c1[nH]c2ccc(CCCNC3CCC(c4csc5ccccc45)CC3)cc2[nH]1,SKFUIBNXKDRTTJ-UHFFFAOYSA-N
rxn:2:108076:88103,COCC(Nc1c[nH]nc1C)c1cc2ccccc2s1,UHODCIQSPIBHLF-UHFFFAOYSA-N
rxn:2:141397:147330,CNC1CCc2cc(-c3cc(C)cs3)ccc2C1,ROKXFONBGJGMPJ-UHFFFAOYSA-N
rxn:2:138255:108959,CC(N[C@H]1CC[C@@H](CCN(C)C)CC1)c1ccc(-c2cccs2)cc1,SIIVRGAKQHZZQI-WHEOGPIBSA-N
rxn:2:127204:168989,CCc1cccc(-c2ccc3oc(C(C)NCCCOS(C)(=O)=O)cc3c2)c1,RUULIELKDWQLLK-UHFFFAOYSA-N
rxn:2:144636:141988,Cc1cc(-c2ccc(C(C)NCCC#Cc3ccc4[nH]c(=O)[nH]c4c3)s2)cs1,VEMZHOLEXDIQPE-UHFFFAOYSA-N
rxn:2:99101:77187,O=c1[nH]c(-c2ccsc2)ccc1CNC1CC(c2ccc3c(c2)CCO3)C1,JOFAHUASQBULRJ-UHFFFAOYSA-N
rxn:2:160401:148477,CC(NCCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc2c(c1)CCc1ccccc1-2,JVBSDQFNYPRCPP-UHFFFAOYSA-N
rxn:2:125968:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3cnn(C)c3)cc2)cs1,JEGQRXPHBWTRRF-UHFFFAOYSA-N
rxn:2:132946:169412,Cc1csc(-c2ccc(CCC(C)NCCCS(C)(=N)=O)cc2)c1,WHWQQYHTIFDEPU-UHFFFAOYSA-N
rxn:2:101439:171392,COc1cnc(C#CCNC2CCC(c3csc4ccccc34)CC2)nc1,AMXMSGDZXAERJB-UHFFFAOYSA-N
rxn:2:72200:169856,CC(NCCCc1nnc[nH]1)c1cccc2c1sc1ccccc12,LGCVCEQOSMATRT-UHFFFAOYSA-N
rxn:2:83688:108959,CC(NCC1CC1c1ccc(S(C)(=O)=O)cc1)c1ccc(-c2cccs2)cc1,NMTQEQMZPOWIGG-UHFFFAOYSA-N
rxn:2:126006:170060,Cc1cc(-c2ccc(CCC(C)NCCCN(C)c3ncccn3)cc2)cs1,QNIDDRYICWIAKW-UHFFFAOYSA-N
rxn:2:136508:173016,CC(NCCCCc1nc[nH]n1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,KEIGRCHXELOMOR-UHFFFAOYSA-N
rxn:2:78571:147222,Cc1cc(C(C)Nc2cc[nH]c(=S)c2)ccc1OCc1ccccc1,XEIAKUPKNGHDGW-UHFFFAOYSA-N
rxn:2:169557:142183,N=CCNC(CC1CC1)c1ccc2c(c1)-c1ccccc1C2,KRCNJMDTYCCMCN-UHFFFAOYSA-N
rxn:2:76322:142192,CC(NC1CCN(c2cnsn2)CC1)c1ccc(-c2cccs2)cn1,UFVPWGLUGHEBFI-UHFFFAOYSA-N
rxn:2:140908:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3cnoc3)c2)cc1C,KNYWJZZQCGLVMJ-UHFFFAOYSA-N
rxn:2:141397:168058,CNC(C)c1ccc2c(c1)CCc1cc(OC)ccc1-2,XINOMYROELJUJQ-UHFFFAOYSA-N
rxn:2:122351:88359,CCC(Nc1c[nH]nn1)c1ccc(-c2cscc2C)cc1,LXJOMXVMYJCDOG-UHFFFAOYSA-N
rxn:2:141847:115754,CSCC(Nn1cnnn1)c1ccc2c(c1)CCCS2,VBRVMDHKTGTJNO-UHFFFAOYSA-N
rxn:2:141397:82393,CNC1CCc2c(OC)cccc2C1C,GOMTVGNTJRFHBN-UHFFFAOYSA-N
rxn:2:126579:141122,Cc1cc(C#CCNC2CC(c3ccc4c(c3)OCCO4)C2)cs1,BOZARYSHTRCUJJ-UHFFFAOYSA-N
rxn:2:135058:110334,Cc1ccc2cc(C(C)NCCc3csnn3)ccc2c1,NSVAHYBUPSQSJV-UHFFFAOYSA-N
rxn:2:167169:163402,O=c1[nH]c2ccc(C#CCNC3CC(c4cccc5ccccc45)C3)cc2s1,GDEAGCQRPYCYRS-UHFFFAOYSA-N
rxn:2:116191:109382,Cc1cc(C#CCCNC2CCC(c3nccs3)CC2)cs1,USFYXSCVUHYXLJ-UHFFFAOYSA-N
rxn:2:167169:142192,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cccs2)cn1,QYVUSMFZSWYNAU-UHFFFAOYSA-N
rxn:2:113426:96010,CC(NCc1ccc(-c2ccc(=O)[nH]n2)cc1)c1ccc(-c2ccsc2)cc1,XBPHCWYOIFFQMP-UHFFFAOYSA-N
rxn:2:76322:96010,CC(NC1CCN(c2cnsn2)CC1)c1ccc(-c2ccsc2)cc1,VKYLDNBIKQZIII-UHFFFAOYSA-N
rxn:2:167592:171492,CC(NCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2cc3ccccc3s2)cc1,LCRPJSXNTPAOMY-UHFFFAOYSA-N
rxn:2:77560:120822,Cc1ccc(-c2ccc(C(C)Nc3cnoc3)cc2)s1,VDYJQOHLAGCONR-UHFFFAOYSA-N
rxn:2:112350:143698,Cn1cc(C#CCCNC2CC(c3ccc4ccccc4c3)C2)cn1,WUGLSQMTFSGELW-UHFFFAOYSA-N
rxn:2:137136:151179,COc1ncc(C#CCCNC(C)c2ccc3c(c2)-c2ccccc2-3)cn1,PHEBFFSKSRNCCH-UHFFFAOYSA-N
rxn:2:76941:170892,CC(NCCCc1nc(-c2cnccn2)n[nH]1)c1ccc(-c2cc3sccc3s2)s1,CYMBREKFWYIUDT-UHFFFAOYSA-N
rxn:2:139383:169851,CSc1ccc(-c2ccc(C(C)NCCCCc3cn(C)cn3)cc2)cc1,ALMMHJTZVYSVNQ-UHFFFAOYSA-N
rxn:2:170748:142183,N=CCN[C@@H](c1ccc2ccccc2c1)C1CCCCC1,CCPTUZKFYMHRFR-LJQANCHMSA-N
rxn:2:146036:159692,O=c1[nH]c2ccc(C3CC3CNC3CCc4cc(-c5cccs5)ccc43)cc2[nH]1,JQJLLMBWZAHMFV-UHFFFAOYSA-N
rxn:2:124333:108959,Cc1cc2cc(CNC(C)c3ccc(-c4cccs4)cc3)ccc2[nH]1,IMNJAECMRLGQNQ-UHFFFAOYSA-N
rxn:2:84839:114519,COc1cc(C#CCNC(C)c2ccc(-c3ccsc3C)cc2)ccn1,KZQNMYUIXDZHRH-UHFFFAOYSA-N
rxn:2:113171:126659,Cc1ccc2sc(C(C)NCCCc3cnn[nH]3)cc2c1,MGBVECBWLVVIQO-UHFFFAOYSA-N
rxn:2:85637:96010,CC(NCc1c[nH]c(=O)[nH]1)c1ccc(-c2ccsc2)cc1,PZNLOVFEFLODRJ-UHFFFAOYSA-N
rxn:2:92926:170235,Cc1cccc(-c2ccc3oc(C(C)NC4CCc5ncoc54)cc3c2)c1,IUCRNMLVXKRTIC-UHFFFAOYSA-N
rxn:2:132998:96010,CC(NCc1ccc(-c2ccc(=O)[nH]c2)cc1)c1ccc(-c2ccsc2)cc1,HYQLLEHSVCWETP-UHFFFAOYSA-N
rxn:2:110352:80718,CCNC(Cc1ccccc1C)CC1CCCC1,FHNRASMWWVPLKD-UHFFFAOYSA-N
rxn:2:81673:144664,CCCNC(COc1ccccc1C)c1ccn(C)c1,APZGCQSWEYSHQP-UHFFFAOYSA-N
rxn:2:143107:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCCCCc1cnc2[nH]c(=O)oc2c1,RJHLEYKTMXSHPO-UHFFFAOYSA-N
rxn:2:132998:127220,Cc1ccc(-c2cc(C(C)NCc3ccc(-c4ccc(=O)[nH]c4)cc3)cs2)s1,OBBCOXUEPWEHTA-UHFFFAOYSA-N
rxn:2:114168:108959,CC(NCCCOc1cc[nH]n1)c1ccc(-c2cccs2)cc1,GRGMNWPOMXKFEK-UHFFFAOYSA-N
rxn:2:148598:142183,N=CCNc1ccc2cc3ccccc3cc2c1,GYXVRWMVMVRUBY-UHFFFAOYSA-N
rxn:2:99084:169856,CC(NCCCc1c[nH]nn1)c1cccc2c1sc1ccccc12,OOLNGYHVWRDOSY-UHFFFAOYSA-N
rxn:2:134607:173016,CC(NCCCSc1ncccn1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,LAXRAAVWDAXUNT-UHFFFAOYSA-N
rxn:2:141397:151992,CNC1CCc2cc(C#Cc3ccccc3)ccc21,WPQDBRJRECDMBH-UHFFFAOYSA-N
rxn:2:99055:108959,CC(NCCc1cc(-c2cccnc2)on1)c1ccc(-c2cccs2)cc1,DBOJAWQMGAFONN-UHFFFAOYSA-N
rxn:2:74393:171246,Cc1cc(-c2ccc(-c3ccco3)cc2)ccc1C(C)NCc1ncno1,AYOMDPBZXJKNHQ-UHFFFAOYSA-N
rxn:2:97543:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCCc1nnn[nH]1,VFOSZTLZONPLLE-UHFFFAOYSA-N
rxn:2:107651:70192,Cc1ccc(OCCC(C)Nc2cnco2)c(C)c1,QTSQSLPRXBQEFV-UHFFFAOYSA-N
rxn:2:101355:126659,Cc1ccc2sc(C(C)NCC#Cc3cnc4cc[nH]c4c3)cc2c1,FVUWWIQKWWXQCL-UHFFFAOYSA-N
rxn:2:70440:173016,COc1ncc(CCCNC(C)c2cc(-c3ccc(-c4ccco4)cc3)cs2)cn1,XUOOBYMFCFOGAO-UHFFFAOYSA-N
rxn:2:141397:172405,CNC(Cc1ccc(-c2ccc(C)cc2)cc1)c1cccnc1,QTBXIBJXOMNJAM-UHFFFAOYSA-N
rxn:2:156072:110041,CC(NCC#Cc1ccc2[nH]c(=O)oc2c1)c1csc(-c2ccsc2)c1,JWFHCXUEMCLTKQ-UHFFFAOYSA-N
rxn:2:138933:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCCOc1cn[nH]c1,YKIJZDILWMQWLY-UHFFFAOYSA-N
rxn:2:87202:85686,CC(NCCc1cn[nH]c1)c1csc(-c2cccs2)c1,WTVSXJZQRKFLCY-UHFFFAOYSA-N
rxn:2:136872:142183,Cc1c(NCC=N)ccc2ccccc12,VBJQOVSDIIWJFQ-UHFFFAOYSA-N
rxn:2:122468:108959,CC(NCCCCc1cscn1)c1ccc(-c2cccs2)cc1,QDWQZWLNYVAYQI-UHFFFAOYSA-N
rxn:2:117485:68807,Cc1ccsc1-c1ccc(C(C)NC2(c3nn[nH]n3)CCCC2)s1,ULJAHXOMPKMIFD-UHFFFAOYSA-N
rxn:2:112208:173016,CC(NCCSCc1cnccn1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,PXHNEYNOMTXVQN-UHFFFAOYSA-N
rxn:2:100083:123403,Cc1ccc2cc(C(C)NCCCc3cnc(C)nc3)sc2c1,QQLGNJDIAUBHIY-UHFFFAOYSA-N
rxn:2:79392:112875,C(#CC1CC(NCCCCc2cn[nH]c2)C1)c1cccs1,MUGSXRDWJOSZQJ-UHFFFAOYSA-N
rxn:2:75335:170892,COc1cc(C)c(C#CCNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,BTFNFCWHRMLYNP-UHFFFAOYSA-N
rxn:2:96968:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3cc4cn[nH]c4cn3)cc2)s1,KTFDMZVYSGFPEM-UHFFFAOYSA-N
rxn:2:106940:172618,CC(NCCc1ncno1)c1cc(-c2cc3sccc3s2)cs1,LLHMQMROHDRNNG-UHFFFAOYSA-N
rxn:2:142622:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCCC#Cc1ccc2[nH]c(=O)sc2c1,IQSIXWQKZICGAU-UHFFFAOYSA-N
rxn:2:85110:172618,COc1ccc(CCCNC(C)c2cc(-c3cc4sccc4s3)cs2)nc1,JXUOZAZAZWWBIC-UHFFFAOYSA-N
rxn:2:144681:120181,CC(NCCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2ccsn2)cc1,WXXNJWPGEXBZBP-UHFFFAOYSA-N
rxn:2:125962:114642,CCS(=O)(=O)OC[C@H]1CCC(N[C@H](C)c2ccc(-c3cccs3)cc2)C1,NJTXLUOYQWQFLP-IEAUQHRDSA-N
rxn:1:43730:8770,NCc1cn(-c2ccc(Br)cc2I)nn1,PZYGDIOIVPEESJ-UHFFFAOYSA-N
rxn:2:137816:67655,CSc1ncc(C#CCNC(C)c2ccc(-c3ccccc3)cc2)cn1,CRTNQVJNJNEDLD-UHFFFAOYSA-N
rxn:2:149922:122855,CC(NCC1CC1c1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2cccs2)s1,KPWBDNXOMSOXDE-UHFFFAOYSA-N
rxn:2:141397:157806,CNC(Cn1cccn1)c1ccc(OC)c(C)c1,FGLLPPLEHONVIU-UHFFFAOYSA-N
rxn:2:73749:160916,C(#Cc1cn[nH]c1)CCNC1CCN(c2ccc3sccc3c2)CC1,QZOUPQZCOZXWIE-UHFFFAOYSA-N
rxn:1:65013:28813,NCCC1CC1c1ccc(-c2cn(-c3cccc(I)c3)nn2)cc1,YVUBBNKGEVNJKA-UHFFFAOYSA-N
rxn:2:94771:169594,CC(Nn1cnnc1)c1ccc2c(ccc3ccccc32)c1,VBQXOCSQSACNKQ-UHFFFAOYSA-N
rxn:2:141815:96010,CC(NC1CC(c2ncccn2)C1)c1ccc(-c2ccsc2)cc1,VMVDKPVMPMPWBX-UHFFFAOYSA-N
rxn:2:89509:150766,C=C=Cc1ccc2scc(C(C)Nc3cncc(=O)[nH]3)c2c1,HWASGKOSOOEYHR-UHFFFAOYSA-N
rxn:2:86071:96010,CC(NCCC#Cc1cnc2[nH]ccc2c1)c1ccc(-c2ccsc2)cc1,MLYXBQKUZMLENM-UHFFFAOYSA-N
rxn:2:72200:171426,CCC(NCCCc1nnc[nH]1)c1ccc(-c2cc(C)c(OC)cc2C)s1,XYMYPJCBXNEQOR-UHFFFAOYSA-N
rxn:2:158858:169412,Cc1csc(-c2ccc(CCC(C)NCC3CC3c3ccc4[nH]c(=O)oc4c3)cc2)c1,MDLRALJPHSQCFZ-UHFFFAOYSA-N
rxn:2:93644:87722,CCOc1ccc(C(C)Nc2cn[nH]n2)cc1C,OIUAKPGPRZVBOK-UHFFFAOYSA-N
rxn:2:113426:120822,Cc1ccc(-c2ccc(C(C)NCc3ccc(-c4ccc(=O)[nH]n4)cc3)cc2)s1,PUZWDAUVAANTPY-UHFFFAOYSA-N
rxn:2:141397:152899,CNC(Cc1ccc(C)c(C)c1)c1cc(C)oc1C,HDUHPULAIWDJAT-UHFFFAOYSA-N
rxn:2:110768:170892,CC(NCC#Cc1cnc2[nH]ncc2c1)c1ccc(-c2cc3sccc3s2)s1,XNVRJVLVHGNKMB-UHFFFAOYSA-N
rxn:2:76322:108959,CC(NC1CCN(c2cnsn2)CC1)c1ccc(-c2cccs2)cc1,WJVZAYVEWOIIHD-UHFFFAOYSA-N
rxn:2:111985:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3cc[nH]n3)c2)cc1C,NJJSCMBQKJXOIH-UHFFFAOYSA-N
rxn:2:76322:76379,CC(NC1CCN(c2cnsn2)CC1)c1ccc(-c2cscn2)cc1,IPHPNQRRDOVTAT-UHFFFAOYSA-N
rxn:2:114934:96010,CC(NCCC#Cc1cnc2nc[nH]c2c1)c1ccc(-c2ccsc2)cc1,USDLDYPZJKRKEP-UHFFFAOYSA-N
rxn:2:141744:67686,COc1cccc(C(CN2CC2)NC2CC(C)C2)c1,PKJGOUFHHONFCS-UHFFFAOYSA-N
rxn:2:84357:108959,CC(NC1CCN(c2ncco2)CC1)c1ccc(-c2cccs2)cc1,HFJKZFYRMACIKN-UHFFFAOYSA-N
rxn:2:120971:169412,Cc1csc(-c2ccc(CCC(C)NCC#Cc3cncnc3)cc2)c1,GJACMQGFLMEVHF-UHFFFAOYSA-N
rxn:2:148180:139886,CC(NCC1CC1c1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccco2)cc1,FQXUGGWYNGVVMV-UHFFFAOYSA-N
rxn:2:167169:99429,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cncnc2)cc1,HGVKTZFHDGYVFP-UHFFFAOYSA-N
rxn:2:86397:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCc3c[nH]c(C)n3)ccc1-2,NTWMGDOYOQTCLA-UHFFFAOYSA-N
rxn:2:69444:97346,CN1CCN(c2ccc(CCNC3CCC(c4ccsc4)CC3)cc2)CC1,MODHXGYPJORASN-UHFFFAOYSA-N
rxn:2:82502:67686,COc1cccc(C(CN2CC2)Nc2csc3nc(C)ccc23)c1,XBSSBRJPBNAYFW-UHFFFAOYSA-N
rxn:2:122923:120181,CC(NCCCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccsn2)cc1,FWPANPGKFNVYIY-UHFFFAOYSA-N
rxn:2:94771:68636,Cc1csc2ccc(C(C)Nn3cnnc3)cc12,FGHVBQBKFSRURR-UHFFFAOYSA-N
rxn:2:72562:108959,CC(NCCc1ncc(-c2ccncc2)s1)c1ccc(-c2cccs2)cc1,JEUPXUSGNATNNT-UHFFFAOYSA-N
rxn:2:91798:96010,CC(NCC#Cc1ccc(OCCN(C)C)cc1)c1ccc(-c2ccsc2)cc1,NUTGCTVHQOOTJL-UHFFFAOYSA-N
rxn:2:92382:143624,CC(Nc1cn[nH]c1)c1ccc2c(c1)-c1ccccc1C2,DHOOTDHHLCDSLM-UHFFFAOYSA-N
rxn:2:110765:170892,CC(NCC#Cc1cnc(N(C)C)nc1)c1ccc(-c2cc3sccc3s2)s1,YRTNWKNMDSCBCM-UHFFFAOYSA-N
rxn:2:146931:170828,CC(NCCC#Cc1ccc2nccnc2c1)c1ccc(-c2ccc3sccc3c2)s1,RKJXPRBULHQASS-UHFFFAOYSA-N
rxn:2:78484:170892,Cc1ccc(C#CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,QKXOBDOAKRYZAP-UHFFFAOYSA-N
rxn:2:104011:124273,CC(NCC#Cc1ccc(N2CCN(C)CC2)cc1)c1ccc(-c2cnsc2)s1,ZZMKBXCWTYCCRR-UHFFFAOYSA-N
rxn:2:150747:131067,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cccnc2)cc1,CICAPVGJURVSAQ-UHFFFAOYSA-N
rxn:2:69232:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NCCCc1ccoc1,LKRYRLYESGTLHL-UHFFFAOYSA-N
rxn:2:107481:107408,CCN(C)Cc1cc(C#CCNC(C)c2ccc(-c3ccsc3)s2)cs1,URVKSAYAFZJIMI-UHFFFAOYSA-N
rxn:2:128114:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCSc3cc(C)ncn3)ccc1-2,AUUULXVDYREHEX-UHFFFAOYSA-N
rxn:2:141397:125758,CNC1CCN(c2ccc(C)cc2)CC1,ZUBQSMUNMYFQNK-UHFFFAOYSA-N
rxn:2:131506:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCc1ccno1,DQICNILFLUDJHP-UHFFFAOYSA-N
rxn:2:123413:107408,CC(NCCC#Cc1ccc(S(=O)(=O)F)cc1)c1ccc(-c2ccsc2)s1,OBFWZKSZNRSJFC-UHFFFAOYSA-N
rxn:2:169973:142183,N=CCN[C@@H](c1ccc2c(c1)Cc1ccccc1-2)C1CCC1,ORBQZOIHFKTNSY-HXUWFJFHSA-N
rxn:2:114934:172076,C(#Cc1cnc2nc[nH]c2c1)CCNC1CCC(c2nc(-c3cccs3)cs2)CC1,RQOOEEUXFSSLTD-UHFFFAOYSA-N
rxn:2:67562:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cnc4cn[nH]c4c3)cc2)cs1,UWUILMAWKYTLGB-UHFFFAOYSA-N
rxn:2:125962:118444,CCS(=O)(=O)OC[C@@H]1CCC(N[C@H](C)c2ccc(-c3cccs3)cc2)C1,NJTXLUOYQWQFLP-QNRNLVPOSA-N
rxn:2:112217:142183,Cc1ccccc1CONCC=N,JZHJRNRWNYQSRV-UHFFFAOYSA-N
rxn:2:133789:170060,Cc1cc(-c2ccc(CCC(C)NCCC(C)c3cnn(C)c3)cc2)cs1,ZKEDGQJNVOMLKZ-UHFFFAOYSA-N
rxn:2:100097:108959,CC(NC1CCC(CCN(C)C)CC1)c1ccc(-c2cccs2)cc1,SIIVRGAKQHZZQI-UHFFFAOYSA-N
rxn:2:72650:171392,COc1ccnc(C#CCNC2CCC(c3csc4ccccc34)CC2)c1,OAKVRBAEVCAHDN-UHFFFAOYSA-N
rxn:2:68618:96514,Cc1nc(-c2cc(C(C)NCC#Cc3ccc(-c4c[nH]cn4)cc3)cs2)cs1,WJPOGDWWJHNTSA-UHFFFAOYSA-N
rxn:2:137587:143246,Cc1ccc(CC(N[C@@H](C)c2nn[nH]n2)c2ccccc2)cc1C,IDFSSEPAUKJUMI-BUSXIPJBSA-N
rxn:2:114204:169412,Cc1csc(-c2ccc(CCC(C)NCC#Cc3cnccn3)cc2)c1,AEYUKWYGMUSKTA-UHFFFAOYSA-N
rxn:2:139218:141988,Cc1cc(-c2ccc(C(C)NCC#Cc3cnn(-c4cnccn4)c3)s2)cs1,LLPDSVDDRABKPY-UHFFFAOYSA-N
rxn:2:141847:169197,CC(Nn1cnnn1)c1cccc2c1ccc1ccccc12,IMFVCNYOWRLTGB-UHFFFAOYSA-N
rxn:2:123459:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3ccc4[nH]cnc4c3)cc2)cs1,DLSWNZCVCANKDB-UHFFFAOYSA-N
rxn:2:99080:170892,CCn1cc(C#CCNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,BXLIHDJTGAWOOX-UHFFFAOYSA-N
rxn:2:91779:108959,CC(NCCCc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2cccs2)cc1,FAGKDBPYICTAPL-UHFFFAOYSA-N
rxn:2:72200:85686,CC(NCCCc1nnc[nH]1)c1csc(-c2cccs2)c1,RSAKGFUCOOSKPE-UHFFFAOYSA-N
rxn:2:139310:169412,Cc1csc(-c2ccc(CCC(C)NCC3CC(OS(C)(=O)=O)C3)cc2)c1,NRNXQXWUBFKDCY-UHFFFAOYSA-N
rxn:2:118177:108959,CC(NCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2cccs2)cc1,ZINBMAJCUDBYNA-UHFFFAOYSA-N
rxn:1:41923:31372,CNCCc1ccc(-c2cn(CC#Cc3ccsc3Cl)nn2)cc1Cl,JIRKIGAUPQICJH-UHFFFAOYSA-N
rxn:2:162493:107408,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2ccsc2)s1,IRVUHRCAECJBRY-UHFFFAOYSA-N
rxn:2:104011:92488,CC(NCC#Cc1ccc(N2CCN(C)CC2)cc1)c1cc(-c2ccsc2)cs1,CNGIRGTVQVSNKQ-UHFFFAOYSA-N
rxn:2:67187:169856,CC(Nc1cncnc1)c1cccc2c1sc1ccccc12,XSPSOOMZLHUMJS-UHFFFAOYSA-N
rxn:2:69444:88952,CC(CCCCc1cccs1)NCCc1ccc(N2CCN(C)CC2)cc1,JJBQSBFRZWGJDJ-UHFFFAOYSA-N
rxn:2:150747:111147,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nccs2)cc1,CDFOWOKDMCBNHX-UHFFFAOYSA-N
rxn:2:139218:170411,CCSc1ccc(-c2ccc(C(C)NCC#Cc3cnn(-c4cnccn4)c3)c(C)c2)cc1,BUWFKPSJKGNCLN-UHFFFAOYSA-N
rxn:2:88326:170218,COCNC1CC[C@H]2[C@@H]3CCc4ccccc4[C@H]3CC[C@]12C,CMQXHTSWTDYJQI-QDSUGMFFSA-N
rxn:2:84839:122855,COc1cc(C#CCNC(C)c2ccc(-c3cccs3)s2)ccn1,CMQVQDWYMVKCTF-UHFFFAOYSA-N
rxn:2:68618:123403,Cc1ccc2cc(C(C)NCC#Cc3ccc(-c4c[nH]cn4)cc3)sc2c1,AIEZYGVQDJVKID-UHFFFAOYSA-N
rxn:2:68618:91511,Cc1ccc(-c2cc(C(C)NCC#Cc3ccc(-c4c[nH]cn4)cc3)cs2)o1,ZRNMVLQPUJNXBF-UHFFFAOYSA-N
rxn:2:138592:109382,CC(NC1CCC(c2nccs2)CC1)c1ccc(-c2ccsc2)cc1,DBFNLTFWZPRCFB-UHFFFAOYSA-N
rxn:2:121885:170892,CC(NCCCc1nc(C2CCCC2)no1)c1ccc(-c2cc3sccc3s2)s1,QLLMIROJHMKXIZ-UHFFFAOYSA-N
rxn:2:137816:161103,CSc1ncc(C#CCNC(C)c2ccc3c(c2)Cc2ccccc2-3)cn1,BOBJTZXJESJXRP-UHFFFAOYSA-N
rxn:2:93577:168058,COCO[C@H]1CC[C@H](NC(C)c2ccc3c(c2)CCc2cc(OC)ccc2-3)CC1,VDWASCMDUJBEOQ-HHXQIICLSA-N
rxn:2:167169:116515,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cccs2)nc1,LNXKFBTZNCJIJJ-UHFFFAOYSA-N
rxn:2:76440:170060,Cc1ccc(CCCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)nn1,BQIPYBKUIGYUQD-UHFFFAOYSA-N
rxn:2:171047:142183,N=CCN[C@H](c1ccc2c(c1)Cc1ccccc1-2)C1CCC1,ORBQZOIHFKTNSY-FQEVSTJZSA-N
rxn:2:125447:171231,CCOc1cc(C)c(-c2csc(C(C)NCCC3CC3c3nc[nH]n3)c2)cc1C,SPJIOFMRJUNLEV-UHFFFAOYSA-N
rxn:2:160401:170116,CCSc1cccc(-c2ccc3oc(C(C)NCCC#Cc4cnc5[nH]c(=O)oc5c4)cc3c2)c1,XTHGQZOGNCXJDK-UHFFFAOYSA-N
rxn:2:122705:108959,CC(NCCCc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2cccs2)cc1,KMCCOKWXZLUHRB-UHFFFAOYSA-N
rxn:2:122923:66791,Cc1csc(-c2csc(C(C)NCCCc3ccc4[nH]c(=O)[nH]c4c3)c2)c1,STYMNVUBTIJONA-UHFFFAOYSA-N
rxn:2:141397:172959,CNC(C)c1cc2ccccc2c2ccccc12,UIJGISMGFUCHOG-UHFFFAOYSA-N
rxn:2:120971:170060,Cc1cc(-c2ccc(CCC(C)NCC#Cc3cncnc3)cc2)cs1,NSTJJTSVZNHJBM-UHFFFAOYSA-N
rxn:2:122705:107408,CC(NCCCc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2ccsc2)s1,LMQLFBWTCXBLHB-UHFFFAOYSA-N
rxn:2:117743:171392,Cc1ccnc(C#CCNC2CCC(c3csc4ccccc34)CC2)n1,OGGITFXIDYTAJE-UHFFFAOYSA-N
rxn:2:87971:118376,CN(C)CC[C@H]1CC[C@H](NC2CCc3ccsc3C2)CC1,GLJAQLJBGGDTOH-SYPQHRIQSA-N
rxn:2:100083:126659,Cc1ccc2sc(C(C)NCCCc3cnc(C)nc3)cc2c1,BIPFKOMRQYZZMT-UHFFFAOYSA-N
rxn:2:78981:142183,N=CCN[C@H](c1ccc2ccccc2c1)C1CCC1,PDWPZRHPPSGFFL-KRWDZBQOSA-N
rxn:2:146036:107408,CC(NCC1CC1c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccsc2)s1,MJZYLLWAFQIVKU-UHFFFAOYSA-N
rxn:2:116296:170892,Cc1nnc(CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)o1,SIBOEZSVYFYPET-UHFFFAOYSA-N
rxn:2:110352:146037,CCNC(Oc1ccc2c(c1)OCC2=O)c1ccccc1,GWNGZUIJLFVSGW-UHFFFAOYSA-N
rxn:2:124198:95550,Cc1nc(-c2cccs2)sc1C(C)NCCC#Cc1ccsc1,OFDJZIMBDOTKEC-UHFFFAOYSA-N
rxn:2:91779:141988,Cc1cc(-c2ccc(C(C)NCCCc3ccc4[nH]c(=O)oc4c3)s2)cs1,YXKMVSSZZHVMPK-UHFFFAOYSA-N
rxn:2:114934:171392,C(#Cc1cnc2nc[nH]c2c1)CCNC1CCC(c2csc3ccccc23)CC1,VVKROYTXNUHJNM-UHFFFAOYSA-N
rxn:2:145750:112875,O=c1[nH]c2ccc(C#CCCNC3CC(C#Cc4cccs4)C3)cc2c(=O)o1,CCEOWJIYDYAZPC-UHFFFAOYSA-N
rxn:2:125962:71566,CCCCOC1CCC(N[C@H](C)c2ccc(-c3cccs3)cc2)CC1,MVBGCNHCDZHDAH-MDMXATFFSA-N
rxn:2:99842:107408,CC(NCC1CC1c1ccc(N2CCN(C)CC2)cc1)c1ccc(-c2ccsc2)s1,JYLBKAAWFVZUAQ-UHFFFAOYSA-N
rxn:2:141397:119985,CNC(C)c1cccc(-c2cccs2)c1,CWSZGNUUZLDABJ-UHFFFAOYSA-N
rxn:2:164588:142183,N=CCNc1ccc2c(c1)Sc1ccccc1S2,SECQRVBZKCRWOS-UHFFFAOYSA-N
rxn:2:126498:123403,Cc1ccc2cc(C(C)NCCCCc3ccoc3)sc2c1,FDVZFADFPHYDGC-UHFFFAOYSA-N
rxn:2:77793:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3cn[nH]c3C)cc2)cs1,ISSLIEMSBCELAI-UHFFFAOYSA-N
rxn:2:135125:107956,COc1ncc(C#CCNC(C)c2ccc(-c3ccc(C)cc3)cc2)cn1,FGGDYUAGQLPOIX-UHFFFAOYSA-N
rxn:2:97063:92488,CC(NCCSc1cnn[nH]1)c1cc(-c2ccsc2)cs1,DHWJEAIIINYHPF-UHFFFAOYSA-N
rxn:2:162493:82388,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2cnco2)cc1,DXARREYKVRGCEW-UHFFFAOYSA-N
rxn:2:113426:109025,Cc1csc(-c2cc(C(C)NCc3ccc(-c4ccc(=O)[nH]n4)cc3)cs2)c1,BXGDHNRGHNVDMU-UHFFFAOYSA-N
rxn:2:141397:85327,CNC(C)c1csc(-c2ccc(C)cc2)c1,YDYSAVACXLPRAH-UHFFFAOYSA-N
rxn:2:150747:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCC#Cc1ccc2[nH]c(=O)[nH]c2c1,RLDXQFPOKIBHTQ-UHFFFAOYSA-N
rxn:2:111913:76379,COCc1cc(C#CCCNC(C)c2ccc(-c3cscn3)cc2)cs1,IREYONPUUZATSW-UHFFFAOYSA-N
rxn:2:139209:143624,CC(Nc1n[nH]c(=O)[nH]1)c1ccc2c(c1)-c1ccccc1C2,VPFQRUKEPJXPQZ-UHFFFAOYSA-N
rxn:2:121028:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCSc1cnccn1,ZOKHIUKGUBYCCT-UHFFFAOYSA-N
rxn:2:127356:146828,CSCC(Nc1[nH]nnc1C)c1ccc2cc(C)ccc2c1,RKEHPYIVLKBPIL-UHFFFAOYSA-N
rxn:2:165720:170892,CC(NCCCCc1n[nH]c2nc[nH]c(=O)c12)c1ccc(-c2cc3sccc3s2)s1,JNHLRMMPZGWXEP-UHFFFAOYSA-N
rxn:2:141397:152226,CNC(C)c1cccc(N2Cc3ccccc3C2)c1,PDQGKYQOJKZWRA-UHFFFAOYSA-N
rxn:2:131711:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCCCS(C)(=N)=O,FBVRXNYVEHJASH-UHFFFAOYSA-N
rxn:2:87579:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3ccn(C)n3)cc2)cs1,CJDASXLNAUUKDB-UHFFFAOYSA-N
rxn:2:137816:131067,CSc1ncc(C#CCNC(C)c2ccc(-c3cccnc3)cc2)cn1,MOSNGTJWXKKTEG-UHFFFAOYSA-N
rxn:2:167592:128669,Cc1ccc(C2CCC(NCC#Cc3cnc4[nH]c(=O)oc4c3)CC2)cc1,PXVITKUKUKBOEP-UHFFFAOYSA-N
rxn:2:72991:108959,CC(NCCc1csc(-c2cccnc2)n1)c1ccc(-c2cccs2)cc1,HARRRIMYHFLCMZ-UHFFFAOYSA-N
rxn:2:75557:171336,CC(NCCCc1nnn[nH]1)c1cc(-c2ccc(-c3ccccc3)s2)cs1,GUZMPHIPWYSHRY-UHFFFAOYSA-N
rxn:2:167592:94661,O=c1[nH]c2ncc(C#CCNC3CC(COc4ccccc4)C3)cc2o1,VPOOJMYBFYQTQQ-UHFFFAOYSA-N
rxn:2:97517:82536,CC(CCCc1cccs1)NCCCc1ccc(N2CCN(C)CC2)cc1,HISNDMRGMGYQPD-UHFFFAOYSA-N
rxn:2:76425:169412,CCS(=O)(=O)CCCNC(C)CCc1ccc(-c2cc(C)cs2)cc1,NPRIQGAENBSEKM-UHFFFAOYSA-N
rxn:2:88943:109025,Cc1csc(-c2cc(C(C)NC3CCC(OCCS(C)(=O)=O)CC3)cs2)c1,CPYPCZPXROHNTE-UHFFFAOYSA-N
rxn:2:107531:169856,CC(NCc1nn[nH]n1)c1cccc2c1sc1ccccc12,UNBRLTAIKVLCOQ-UHFFFAOYSA-N
rxn:2:160401:122855,CC(NCCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2cccs2)s1,VXGVYOKJLPPHGU-UHFFFAOYSA-N
rxn:2:132998:68807,Cc1ccsc1-c1ccc(C(C)NCc2ccc(-c3ccc(=O)[nH]c3)cc2)s1,JWAPYLHTAPKDLP-UHFFFAOYSA-N
rxn:2:97063:85686,CC(NCCSc1cnn[nH]1)c1csc(-c2cccs2)c1,YDXWWDRZWDYTDI-UHFFFAOYSA-N
rxn:2:69444:102373,Cc1ccc(C2CC(NCCc3ccc(N4CCN(C)CC4)cc3)C2)s1,UFFICJJRYKMRCK-UHFFFAOYSA-N
rxn:2:112154:130267,CC(NCC#Cc1ccc(S(C)(=O)=O)cc1)c1ccc2ccsc2c1,MPWXMYGXEVPOOF-UHFFFAOYSA-N
rxn:2:96968:96010,CC(NCC#Cc1cc2cn[nH]c2cn1)c1ccc(-c2ccsc2)cc1,DNTOFIRNGZPQPJ-UHFFFAOYSA-N
rxn:2:77202:165512,Cc1ccsc1-c1ccc2c(c1)CCC2NCCCc1cn[nH]c1,FCSIRLAWFSFABG-UHFFFAOYSA-N
rxn:2:87637:141988,Cc1cc(-c2ccc(C(C)NCC3CC3c3cnc4nc[nH]c4c3)s2)cs1,MUGNETKQWSKYOM-UHFFFAOYSA-N
rxn:2:137922:78538,CCOc1ncc(C#CCNC(C)c2ccc(-c3sccc3C)cc2)cn1,OLXDIIICKXMKFI-UHFFFAOYSA-N
rxn:2:132131:173016,CC(NCCCc1ncno1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,WGYTWVAXIICWJX-UHFFFAOYSA-N
rxn:2:106940:78538,Cc1ccsc1-c1ccc(C(C)NCCc2ncno2)cc1,JPOQBRVGJFFWGY-UHFFFAOYSA-N
rxn:2:118218:66791,Cc1csc(-c2csc(C(C)NCCCc3cnc4cc[nH]c4c3)c2)c1,GSICNGPWPZTRNY-UHFFFAOYSA-N
rxn:2:70440:170892,COc1ncc(CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,NZFNBOYEGKFSJC-UHFFFAOYSA-N
rxn:2:124198:142192,CC(NCCC#Cc1ccsc1)c1ccc(-c2cccs2)cn1,XAEQLCUUNQWJFU-UHFFFAOYSA-N
rxn:2:128448:67686,COc1cccc(C(CN2CC2)N[C@H]2[C@@H]3CCC[C@@H]32)c1,YHJQUXZDVCPSQP-DRQBJCJOSA-N
rxn:2:171200:142183,CCCC[C@H](NCC=N)c1ccc(C)c2ccccc12,MUURHNQMSVPTIP-SFHVURJKSA-N
rxn:2:140720:139886,CC(NCC#Cc1csc(Cn2cccn2)c1)c1ccc(-c2ccco2)cc1,YZUPPOWLZWELMV-UHFFFAOYSA-N
rxn:2:123413:124273,CC(NCCC#Cc1ccc(S(=O)(=O)F)cc1)c1ccc(-c2cnsc2)s1,BCYMVQBFNGGISR-UHFFFAOYSA-N
rxn:2:91798:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3ccc(OCCN(C)C)cc3)cc2)s1,RRJAGGMHJYTVGY-UHFFFAOYSA-N
rxn:2:67187:76289,CCC(Nc1cncnc1)c1ccc(-c2csc(C)c2)cc1,SNFOVJGZBHEXFW-UHFFFAOYSA-N
rxn:2:125447:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCC1CC1c1nc[nH]n1,DZGGRNQJGPABLA-UHFFFAOYSA-N
rxn:2:79392:107408,CC(NCCCCc1cn[nH]c1)c1ccc(-c2ccsc2)s1,WABFGVKCQUNQEV-UHFFFAOYSA-N
rxn:2:139310:170235,Cc1cccc(-c2ccc3oc(C(C)NCC4CC(OS(C)(=O)=O)C4)cc3c2)c1,MTDUOBGBUNIUHP-UHFFFAOYSA-N
rxn:2:69444:91582,Cc1ccc(C2CC(NCCc3ccc(N4CCN(C)CC4)cc3)C2)cc1,RDBVEYMSLAAVPT-UHFFFAOYSA-N
rxn:2:141847:169111,CC(Nn1cnnn1)c1ccc2ccc3ccccc3c2c1,IGBASNMOBJOKDU-UHFFFAOYSA-N
rxn:2:114213:154103,O=c1[nH][nH]cc1NC(c1cc[nH]c1)c1ccc2ccccc2c1,QMDPPRYJODKMFX-UHFFFAOYSA-N
rxn:2:125825:70192,Cc1ccc(OCCC(C)N[C@@H]2CCc3c[nH]cc32)c(C)c1,NHVGZWUMVOSSCW-KPMSDPLLSA-N
rxn:2:132131:170668,CC(NCCCc1ncno1)c1csc(-c2ccc(-c3ccco3)cc2)c1,ALGKJBAJHGGDEC-UHFFFAOYSA-N
rxn:2:167169:114765,Cc1cn(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)cc2)cn1,OYMSYAITXCBICM-UHFFFAOYSA-N
rxn:2:80519:66791,Cc1csc(-c2csc(C(C)NCCCc3c[nH]c(=S)[nH]3)c2)c1,HJQPUQIJMRBICJ-UHFFFAOYSA-N
rxn:2:156072:131067,CC(NCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2cccnc2)cc1,GWLMLLFHUYMDOF-UHFFFAOYSA-N
rxn:2:144636:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCC#Cc1ccc2[nH]c(=O)[nH]c2c1,UAAPVGMKPAGVDO-UHFFFAOYSA-N
rxn:2:144681:141988,Cc1cc(-c2ccc(C(C)NCCC#Cc3ccc4[nH]c(=O)oc4c3)s2)cs1,JTLIKVJMFFLCMC-UHFFFAOYSA-N
rxn:2:167169:131067,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cccnc2)cc1,DMCYNHCSSPEEJX-UHFFFAOYSA-N
rxn:2:122955:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCSc1cccnc1,KZAONFZTQZXIBO-UHFFFAOYSA-N
rxn:2:137816:107956,CSc1ncc(C#CCNC(C)c2ccc(-c3ccc(C)cc3)cc2)cn1,NVAIDUXUAYPBJT-UHFFFAOYSA-N
rxn:2:73951:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)Nc1cn[nH]c(=O)c1,GZVMSNXHVJBZAO-UHFFFAOYSA-N
rxn:2:111746:123403,Cc1ccc2cc(C(C)NCCCCc3cnccn3)sc2c1,SAGSYVPSTZDFQX-UHFFFAOYSA-N
rxn:2:127486:143246,Cc1ccc(CC(NC(C)c2nn[nH]n2)c2ccccc2)cc1C,IDFSSEPAUKJUMI-UHFFFAOYSA-N
rxn:2:95795:68807,Cc1cnc(CCCNC(C)c2ccc(-c3sccc3C)s2)cn1,MAXCCMVEWOPRNK-UHFFFAOYSA-N
rxn:2:167169:94543,Cc1cnc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)s2)s1,HCBMDIOYBKAEGW-UHFFFAOYSA-N
rxn:2:135125:76379,COc1ncc(C#CCNC(C)c2ccc(-c3cscn3)cc2)cn1,QRJVXNOZMPCRCW-UHFFFAOYSA-N
rxn:2:68410:114519,Cc1sccc1-c1ccc(C(C)NCCCn2nccn2)cc1,UNKIJSSKCPORJS-UHFFFAOYSA-N
rxn:2:81194:156984,COc1csc(-c2ccc(C(C)NCCCCc3ccc4[nH]c(=O)[nH]c4c3)c(C)c2)c1,JGMLQDLBPMJTQW-UHFFFAOYSA-N
rxn:2:132998:122855,CC(NCc1ccc(-c2ccc(=O)[nH]c2)cc1)c1ccc(-c2cccs2)s1,BUAVHBZOEUVTAE-UHFFFAOYSA-N
rxn:2:69444:122855,CC(NCCc1ccc(N2CCN(C)CC2)cc1)c1ccc(-c2cccs2)s1,GHSIWADUEKYZEO-UHFFFAOYSA-N
rxn:2:167592:112875,O=c1[nH]c2ncc(C#CCNC3CC(C#Cc4cccs4)C3)cc2o1,YRTCAASISMKTLI-UHFFFAOYSA-N
rxn:2:105108:170892,CC(NCCCc1nc(-c2cnccn2)no1)c1ccc(-c2cc3sccc3s2)s1,GNMRYDYAKMWFBN-UHFFFAOYSA-N
rxn:2:97024:141988,Cc1cc(-c2ccc(C(C)NCCC#Cc3cscn3)s2)cs1,QHLKVCWCUFNEOB-UHFFFAOYSA-N
rxn:2:79774:102373,CCN1CCN(c2ccc(CCNC3CC(c4ccc(C)s4)C3)cc2)CC1,OLLHDKNAHUDCHJ-UHFFFAOYSA-N
rxn:2:145188:107408,CC(NCCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2ccsc2)s1,DWRNKZBHMZZYPP-UHFFFAOYSA-N
rxn:2:114843:169412,Cc1csc(-c2ccc(CCC(C)NCC(C)CCc3cc[nH]c3)cc2)c1,OPKSEXHTXSNDCI-UHFFFAOYSA-N
rxn:2:120564:173016,CC(NCCCc1nnco1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,XPKZXGKIXLMYAU-UHFFFAOYSA-N
rxn:2:127486:170858,Cc1csc(-c2ccc(C(C)NC(C)c3nn[nH]n3)cc2C)c1,JVQDJOASZQDPLO-UHFFFAOYSA-N
rxn:2:93644:97563,CCOc1ccc(C(CC)Nc2cn[nH]n2)cc1C,PIGYTXPRQVRXCO-UHFFFAOYSA-N
rxn:2:139659:169412,Cc1csc(-c2ccc(CCC(C)NCCC3CC3c3c[nH]cn3)cc2)c1,GGLHICVRGYYAQO-UHFFFAOYSA-N
rxn:2:107531:146828,CSCC(NCc1nn[nH]n1)c1ccc2cc(C)ccc2c1,NLWNKMJLBMFZBI-UHFFFAOYSA-N
rxn:2:132002:116515,CC(NC1CC(C2CCN(C)CC2)C1)c1ccc(-c2cccs2)nc1,CDWCCXRPDNPURH-UHFFFAOYSA-N
rxn:2:127486:94314,Cc1cccc2c(C(C)NC(C)c3nn[nH]n3)csc12,IHJNJMXMUWZHTP-UHFFFAOYSA-N
rxn:2:98374:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCCCCc1[nH]cnc1C,IDMMZFNNKUGLCG-UHFFFAOYSA-N
rxn:2:89460:67686,CCc1cccc(NC(CN2CC2)c2cccc(OC)c2)c1C,IWZUUSQCGMROGJ-UHFFFAOYSA-N
rxn:2:113171:172317,CCSc1ccc(-c2ccc(C(CC)NCCCc3cnn[nH]3)cc2)cc1,WSWSVJDYYMFDKY-UHFFFAOYSA-N
rxn:2:145188:112875,O=c1[nH]cnc2cc(C#CCCNC3CC(C#Cc4cccs4)C3)ccc12,RLIVDSGFIVCSAA-UHFFFAOYSA-N
rxn:2:76425:170060,CCS(=O)(=O)CCCNC(C)CCc1ccc(-c2csc(C)c2)cc1,YWKRZNZMVNRCFH-UHFFFAOYSA-N
rxn:2:120564:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3nnco3)cc2)cs1,HFLGNSATTBLDMH-UHFFFAOYSA-N
rxn:2:128825:81963,CC(CCc1ccc2[nH]ccc2c1)NCCCc1cc[nH]c1,SAWFTLQBGWAADS-UHFFFAOYSA-N
rxn:2:167169:107408,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccsc2)s1,GWTJSKFVCMIFJY-UHFFFAOYSA-N
rxn:2:132998:134530,CC(NCc1ccc(-c2ccc(=O)[nH]c2)cc1)c1cnc(-c2cccs2)s1,ZLUKHEBQKOHKRU-UHFFFAOYSA-N
rxn:2:167768:107408,CC(NCC#Cc1ccc2nccnc2c1)c1ccc(-c2ccsc2)s1,HKSHTBCHDOYBLO-UHFFFAOYSA-N
rxn:2:166241:107408,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(-c2ccsc2)s1,MHIPCNPZFIXXJS-UHFFFAOYSA-N
rxn:2:149922:107408,CC(NCC1CC1c1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2ccsc2)s1,FUVXSQJWHLFNCR-UHFFFAOYSA-N
rxn:2:137922:120822,CCOc1ncc(C#CCNC(C)c2ccc(-c3ccc(C)s3)cc2)cn1,HUBTWJFJPSFGLA-UHFFFAOYSA-N
rxn:2:128825:170411,CCSc1ccc(-c2ccc(C(C)NCCCc3cc[nH]c3)c(C)c2)cc1,MQPAKTDUWDNZGN-UHFFFAOYSA-N
rxn:2:128153:172618,CC(NCc1onc2ncoc12)c1cc(-c2cc3sccc3s2)cs1,GFNVRQMIIRNXBW-UHFFFAOYSA-N
rxn:2:163596:70831,CC(NC1CCC(CCOS(C)(=O)=O)C1)c1ccc2c(c1)Cc1ccccc1-2,RHCHHIWYCGWOSN-UHFFFAOYSA-N
rxn:2:98374:169851,CSc1ccc(-c2ccc(C(C)NCCCCc3[nH]cnc3C)cc2)cc1,OUJAMULIBBDGDU-UHFFFAOYSA-N
rxn:2:150732:107408,CC(NCCCc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2ccsc2)s1,PKCHELMTBYMIJA-UHFFFAOYSA-N
rxn:2:122468:152898,c1ccc2cc3c(cc2c1)CCC(NCCCCc1cscn1)C3,ZPTUCDSSESRVFB-UHFFFAOYSA-N
rxn:2:97610:170060,Cc1cc(-c2ccc(CCC(C)NCC3CCc4cn[nH]c4C3)cc2)cs1,ORJCPBVZGZHWHG-UHFFFAOYSA-N
rxn:2:93644:141195,CCC(Nc1cn[nH]n1)c1ccc(-c2sccc2C)cc1,KEXDLDNYJRFWAW-UHFFFAOYSA-N
rxn:2:69444:171392,CN1CCN(c2ccc(CCNC3CCC(c4csc5ccccc45)CC3)cc2)CC1,RWXHMWMAUGJEAW-UHFFFAOYSA-N
rxn:2:74199:141988,Cc1cc(-c2ccc(C(C)NCCC#Cc3cnc4cc[nH]c4c3)s2)cs1,WCMSLEFADWQYQL-UHFFFAOYSA-N
rxn:2:110768:66791,Cc1csc(-c2csc(C(C)NCC#Cc3cnc4[nH]ncc4c3)c2)c1,KHXDCGSVAPFCHF-UHFFFAOYSA-N
rxn:2:73749:166167,C(#Cc1cn[nH]c1)CCNC1CCc2c(ccc3ccccc23)C1,DZCFDSQZFSSVDH-UHFFFAOYSA-N
rxn:2:71745:170892,Cc1nc2c([nH]1)CC(CCCNC(C)c1ccc(-c3cc4sccc4s3)s1)CC2,UTZAEKMYWWBXIE-UHFFFAOYSA-N
rxn:2:85630:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCOc3cnn(C)c3)ccc1-2,QVUOCEQUNZNRKL-UHFFFAOYSA-N
rxn:2:125962:85115,CCS(=O)(=O)OCC1CCC(N[C@H](C)c2ccc(-c3cccs3)cc2)C1,NJTXLUOYQWQFLP-MDCZIUGASA-N
rxn:2:132396:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCC1CC1c1ncccn1,KPIKRJZXDWCZDQ-UHFFFAOYSA-N
rxn:2:126885:170060,CCCS(=O)(=O)CCNC(C)CCc1ccc(-c2csc(C)c2)cc1,GGSYWVPEYPPLBW-UHFFFAOYSA-N
rxn:2:137136:170060,COc1ncc(C#CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)cn1,JNFQJTKRTJMGNY-UHFFFAOYSA-N
rxn:2:156072:126659,Cc1ccc2sc(C(C)NCC#Cc3ccc4[nH]c(=O)oc4c3)cc2c1,UVTXRCOAUGNDGY-UHFFFAOYSA-N
rxn:2:130128:94292,CCC(Nc1cnsc1)c1ccc(-c2sccc2C)s1,QFTXOEODDNNZFV-UHFFFAOYSA-N
rxn:2:109745:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCOc1ccncn1,XKQCHDWHONBEQC-UHFFFAOYSA-N
rxn:2:167169:105749,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccco2)cn1,OZCMTBRVERZTCM-UHFFFAOYSA-N
rxn:2:79379:170235,Cc1cccc(-c2ccc3oc(C(C)NCCCOc4ncccn4)cc3c2)c1,YOUQFRYWDQRQBI-UHFFFAOYSA-N
rxn:2:162493:105101,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2ccc[nH]2)cc1,HXRKUGRFYBUPTR-UHFFFAOYSA-N
rxn:2:141397:170175,CNC1CCc2c(-c3cc4ccccc4s3)cccc21,OSBTUDUYMDYDNO-UHFFFAOYSA-N
rxn:2:132998:109025,Cc1csc(-c2cc(C(C)NCc3ccc(-c4ccc(=O)[nH]c4)cc3)cs2)c1,JCJFAXQKIGOUHP-UHFFFAOYSA-N
rxn:2:101404:169412,Cc1csc(-c2ccc(CCC(C)NCCCS(=O)(=O)[O-])cc2)c1,ZAXDMFCTVDVRBS-UHFFFAOYSA-M
rxn:2:129306:169666,CCc1n[nH]c(CCCNC(C)c2cc(-c3ccc(-c4cccnc4)cc3)cs2)n1,FLALCBFLKSUPIW-UHFFFAOYSA-N
rxn:2:132002:107408,CC(NC1CC(C2CCN(C)CC2)C1)c1ccc(-c2ccsc2)s1,VUYKXVGYPVTFJV-UHFFFAOYSA-N
rxn:2:110222:141988,Cc1cc(-c2ccc(C(C)NCCCc3cnc4[nH]c(=O)oc4c3)s2)cs1,FARBGIGDGBGUAC-UHFFFAOYSA-N
rxn:2:141397:169560,CCc1cccc2c(C(CCC(C)C)NC)c[nH]c12,VXFSBKBGYXKQLV-UHFFFAOYSA-N
rxn:2:137922:67655,CCOc1ncc(C#CCNC(C)c2ccc(-c3ccccc3)cc2)cn1,GUGKNQJLDATSAM-UHFFFAOYSA-N
rxn:2:107104:142183,Cc1ccc(C)c(CC(CC2CCCC2)NCC=N)c1,GVMAAWZAJSDNCT-UHFFFAOYSA-N
rxn:2:76625:123403,Cc1ccc2cc(C(C)NCCC#Cc3cnc[nH]3)sc2c1,PNGUPVBFLYQHOU-UHFFFAOYSA-N
rxn:2:85110:108959,COc1ccc(CCCNC(C)c2ccc(-c3cccs3)cc2)nc1,RMVGUYZWXKACOY-UHFFFAOYSA-N
rxn:2:92379:142183,CCCC(NCC=N)c1cccc2ccccc12,LIDYNMVOKRNXTR-UHFFFAOYSA-N
rxn:2:124198:107746,C(#Cc1ccsc1)CCNC1CCN(c2ccccc2)CC1,FTHVYFWKUJRSRB-UHFFFAOYSA-N
rxn:2:134689:78538,Cc1ccsc1-c1ccc(C(C)NCCCC2CCN(C)CC2)cc1,PMBTVAGQZBCCBP-UHFFFAOYSA-N
rxn:2:141397:173141,CNC(c1ccc(-c2sccc2C)cc1)c1cccnc1,GYXQDNCULCBTFG-UHFFFAOYSA-N
rxn:2:74393:173095,CC(NCc1ncno1)c1ccc2sc3ccccc3c2c1,DUNKQOQWMSUPFQ-UHFFFAOYSA-N
rxn:2:73713:107408,CC(NCCCCc1cnc2cc[nH]c2c1)c1ccc(-c2ccsc2)s1,OKEXMNRMEWEZJY-UHFFFAOYSA-N
rxn:2:139383:169666,CC(NCCCCc1cn(C)cn1)c1cc(-c2ccc(-c3cccnc3)cc2)cs1,ALUSYBUATHCRBH-UHFFFAOYSA-N
rxn:2:134698:71566,CCCCOC1CCC(NC(C)c2ccc(-c3cccs3)cc2)CC1,MVBGCNHCDZHDAH-UHFFFAOYSA-N
rxn:2:139686:170060,Cc1cc(-c2ccc(CCC(C)NC[C@@H]3C[C@H]3c3cnn(C)c3)cc2)cs1,NMDVNFYOQQABBO-LQERJKSESA-N
rxn:2:87876:70812,C(#Cc1cccs1)CCNC1CCC(c2ccccc2)CC1,YFMRYQQLNBTGMX-UHFFFAOYSA-N
rxn:2:97517:68807,Cc1ccsc1-c1ccc(C(C)NCCCc2ccc(N3CCN(C)CC3)cc2)s1,BHFCUOHVRMYCDX-UHFFFAOYSA-N
rxn:2:93504:173016,CC(NCCCc1cocn1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,VJNPRRJPVROTAN-UHFFFAOYSA-N
rxn:2:163073:130974,C[C@@H](NC1CC(COc2cnccn2)C1)c1ccc2c(c1)Cc1ccccc1-2,OTTMKQFSCAOMLO-ZGGTZUKQSA-N
rxn:2:132131:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3ncno3)cc2)c1,OTXVTXQZHMRRRO-UHFFFAOYSA-N
rxn:2:77202:96010,CC(NCCCc1cn[nH]c1)c1ccc(-c2ccsc2)cc1,NETJXBHXIONUIS-UHFFFAOYSA-N
rxn:2:78850:122855,COc1cncc(NC(C)c2ccc(-c3cccs3)s2)c1,QZZGJDIHVSSVLQ-UHFFFAOYSA-N
rxn:2:167169:68311,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1c[nH]c(-c2ccccc2)c1,AQVFFCNESSWIPU-UHFFFAOYSA-N
rxn:2:100083:170060,Cc1ncc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)cn1,GOZWUTVMXMGISF-UHFFFAOYSA-N
rxn:2:68618:129363,CSc1nc2cc(C(C)NCC#Cc3ccc(-c4c[nH]cn4)cc3)ccc2s1,AXIMWOLLTKWYDJ-UHFFFAOYSA-N
rxn:2:125447:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCC1CC1c1nc[nH]n1,PMLAFFLJITYNMG-UHFFFAOYSA-N
rxn:2:78444:108959,CCn1cc(OCCNC(C)c2ccc(-c3cccs3)cc2)cn1,UFPMCEVWPKPQAM-UHFFFAOYSA-N
rxn:2:131932:70192,Cc1ccc(OCCC(C)N[C@H]2CCc3c[nH]cc32)c(C)c1,NHVGZWUMVOSSCW-PKHIMPSTSA-N
rxn:2:141397:146037,CNC(Oc1ccc2c(c1)OCC2=O)c1ccccc1,FLNPIQHNZPMCJG-UHFFFAOYSA-N
rxn:2:112154:142192,CC(NCC#Cc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2cccs2)cn1,CYJRNZRNLSQPEF-UHFFFAOYSA-N
rxn:2:100287:171231,CCOc1cc(C)c(-c2csc(C(C)NCC3CC3c3nc[nH]n3)c2)cc1C,WJRJVFHMPHEIHS-UHFFFAOYSA-N
rxn:2:92934:170892,CC(NCC#Cc1ccc2[nH]nnc2c1)c1ccc(-c2cc3sccc3s2)s1,YOOWTRWIYBKAPO-UHFFFAOYSA-N
rxn:2:130209:120822,Cc1ccc(-c2ccc(C(C)NCCC#Cc3cnccn3)cc2)s1,AZDNNPWYZXJAPY-UHFFFAOYSA-N
rxn:2:145470:170892,CC(NCCC1CC1c1cnc2[nH]c(=O)oc2c1)c1ccc(-c2cc3sccc3s2)s1,PVOUXGHTFRXAON-UHFFFAOYSA-N
rxn:2:139105:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCCC#Cc1ncc[nH]1,ZIBQMLJHWQFVEV-UHFFFAOYSA-N
rxn:2:134698:70831,CC(NC1CCC(CCOS(C)(=O)=O)C1)c1ccc(-c2cccs2)cc1,RWAGJFCVOJVUBW-UHFFFAOYSA-N
rxn:2:141555:122855,CC(NC1CCC(CC2CCCN(C)C2)CC1)c1ccc(-c2cccs2)s1,XLOVKJPRUXXJCJ-UHFFFAOYSA-N
rxn:2:117725:102373,Cc1ccc(C2CC(NCCC#Cc3ccc(N4CCN(C)CC4)cc3)C2)s1,JAEWRLWYENXBOH-UHFFFAOYSA-N
rxn:2:135754:108959,COCCn1cc(C#CCNC(C)c2ccc(-c3cccs3)cc2)cn1,CLFSNXFPEVRHPI-UHFFFAOYSA-N
rxn:2:76625:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCCC#Cc1cnc[nH]1,HGZPPPSMMPFYDF-UHFFFAOYSA-N
rxn:2:92660:169412,CSCc1ncc(CCNC(C)CCc2ccc(-c3cc(C)cs3)cc2)cn1,HMHINSMJFXISCM-UHFFFAOYSA-N
rxn:2:133307:108959,CC(NCCc1cn[nH]n1)c1ccc(-c2cccs2)cc1,OCKFQICBNSVMQU-UHFFFAOYSA-N
rxn:2:120356:170060,Cc1nc(C#CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)c[nH]1,SNVXOHSVKROWJY-UHFFFAOYSA-N
rxn:2:138933:108959,CC(NCCCOc1cn[nH]c1)c1ccc(-c2cccs2)cc1,VNYOFLMQSQWSHA-UHFFFAOYSA-N
rxn:2:166241:69998,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(-c2ccoc2)cc1,ORMPCMPFWCJLHW-UHFFFAOYSA-N
rxn:2:104087:108959,CC(NCC#Cc1cnn(-c2ccccn2)c1)c1ccc(-c2cccs2)cc1,YBTOSWCOLDLCBL-UHFFFAOYSA-N
rxn:2:124792:83817,Cc1ccccc1OCCC(C)NCc1ccn[nH]1,DALXFYHKKIGTAI-UHFFFAOYSA-N
rxn:2:76998:78538,Cc1ccsc1-c1ccc(C(C)NCCCn2cnnn2)cc1,KKWAMBMWBARNSD-UHFFFAOYSA-N
rxn:2:94771:173095,CC(Nn1cnnc1)c1ccc2sc3ccccc3c2c1,IYWJQTKUMCPGLW-UHFFFAOYSA-N
rxn:2:150747:105101,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccc[nH]2)cc1,CFKDUJHKQOKYHD-UHFFFAOYSA-N
rxn:2:84871:109025,Cc1csc(-c2cc(C(C)NCCC3CC3c3cnccn3)cs2)c1,CVIFCNIBJYBOFT-UHFFFAOYSA-N
rxn:2:101439:141988,COc1cnc(C#CCNC(C)c2ccc(-c3csc(C)c3)s2)nc1,JEYUVEJDLBJUJU-UHFFFAOYSA-N
rxn:2:111468:141988,Cc1cc(-c2ccc(C(C)NCCC#Cc3cnc4cn[nH]c4c3)s2)cs1,WSWXMWAXLAXMBJ-UHFFFAOYSA-N
rxn:2:145188:166167,O=c1[nH]cnc2cc(C#CCCNC3CCc4c(ccc5ccccc45)C3)ccc12,YVFVNYJXCOKPBI-UHFFFAOYSA-N
rxn:2:100611:96010,CC(NCC#Cc1csc(CN2CCC2)c1)c1ccc(-c2ccsc2)cc1,LDIFPSLVDIMTIN-UHFFFAOYSA-N
rxn:2:102522:109025,COc1ccc(C#CCNC(C)c2csc(-c3cc(C)cs3)c2)nn1,LKJBLOZBUDELFT-UHFFFAOYSA-N
rxn:2:74199:68807,Cc1ccsc1-c1ccc(C(C)NCCC#Cc2cnc3cc[nH]c3c2)s1,ZZKAXVQCWXTOMZ-UHFFFAOYSA-N
rxn:2:156072:120181,CC(NCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2ccsn2)cc1,QSKMDKIWLWHGAD-UHFFFAOYSA-N
rxn:2:112208:169666,CC(NCCSCc1cnccn1)c1cc(-c2ccc(-c3cccnc3)cc2)cs1,GYIIMHBCRCRKCZ-UHFFFAOYSA-N
rxn:2:159492:128669,COc1ccc(-c2nc(CNC3CCC(c4ccc(C)cc4)CC3)oc2C)c(OC)c1,YGAQUCRRMJRMIJ-UHFFFAOYSA-N
rxn:2:87260:96010,CC(NCCC#Cc1ccc2[nH]ncc2c1)c1ccc(-c2ccsc2)cc1,APLVHCRBSLQNCC-UHFFFAOYSA-N
rxn:2:76896:96010,CC(NCCC#Cc1cccnc1)c1ccc(-c2ccsc2)cc1,BRTBAGUCQRYBKU-UHFFFAOYSA-N
rxn:2:76896:161103,CC(NCCC#Cc1cccnc1)c1ccc2c(c1)Cc1ccccc1-2,GIMGCCSDETZBST-UHFFFAOYSA-N
rxn:2:114688:171231,CCOc1cc(C)c(-c2csc(C(C)NCCSc3ccncc3)c2)cc1C,HTPROXXNQOASDP-UHFFFAOYSA-N
rxn:2:138255:107408,CC(N[C@H]1CC[C@@H](CCN(C)C)CC1)c1ccc(-c2ccsc2)s1,XQMRPPHVYJCECS-DNEXCBDKSA-N
rxn:2:86811:120822,Cc1ccc(-c2ccc(C(C)NC3CCC(CC4CCN(C)C4)CC3)cc2)s1,KFJCCTOBLQFEPD-UHFFFAOYSA-N
rxn:2:134607:169666,CC(NCCCSc1ncccn1)c1cc(-c2ccc(-c3cccnc3)cc2)cs1,MJHOIKSHWYWXEG-UHFFFAOYSA-N
rxn:2:76044:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NCCCc1ccsc1,BBPXCZAHLXRMSI-UHFFFAOYSA-N
rxn:2:129885:142183,Cc1ccc2c(NCC=N)cccc2c1,WJINSDXLDJNQPM-UHFFFAOYSA-N
rxn:2:160401:108959,CC(NCCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2cccs2)cc1,CYQPQAHKIIFGOA-UHFFFAOYSA-N
rxn:2:78535:116515,CC(NCC#Cc1cnc2cn[nH]c2c1)c1ccc(-c2cccs2)nc1,LPANHGMGFQDXPX-UHFFFAOYSA-N
rxn:2:97900:169856,CC(Nc1n[nH]c2[nH]ncc12)c1cccc2c1sc1ccccc12,ZFRBWJJTXDRRRS-UHFFFAOYSA-N
rxn:2:134741:171231,CCOc1cc(C)c(-c2csc(C(C)NCCOc3cccnc3)c2)cc1C,NPEPFZIYAOVVEG-UHFFFAOYSA-N
rxn:2:139991:78538,CCCC(NC(C)c1ccc(-c2sccc2C)cc1)c1nnn[nH]1,FFJAEBBXCDBALH-UHFFFAOYSA-N
rxn:2:141397:66800,CNC(C)c1cccc(-c2ccsc2)c1,MLDXAKNZLFXKNO-UHFFFAOYSA-N
rxn:2:85140:68807,Cc1ccsc1-c1ccc(C(C)NCC(C)COC2CCN(C)CC2)s1,HZVNKVAERDZBQK-UHFFFAOYSA-N
rxn:2:94256:67686,COc1cccc(C(CN2CC2)NC[C@@H]2C[C@@H]2C(C)C)c1,BZZHDPLPFGVGBT-CTDRKSARSA-N
rxn:2:104066:67686,COc1cccc(C(CN2CC2)NC[C@@H]2C[C@H]2C(C)C)c1,BZZHDPLPFGVGBT-LUIZSJORSA-N
rxn:2:130477:108959,CC(NCCCc1ccc[nH]1)c1ccc(-c2cccs2)cc1,ISSPOQPJZGASSU-UHFFFAOYSA-N
rxn:2:116138:169412,Cc1csc(-c2ccc(CCC(C)NCCC3CC3c3ncc[nH]3)cc2)c1,UZAMCTNFICKSIK-UHFFFAOYSA-N
rxn:2:77440:170858,Cc1csc(-c2ccc(C(C)Nc3cnon3)cc2C)c1,MAOYXXVJTPPHFG-UHFFFAOYSA-N
rxn:2:96712:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCCc1ccsn1,MNIVLEKWORKOLB-UHFFFAOYSA-N
rxn:2:122351:169821,CC(Nc1c[nH]nn1)c1ccc2cc3ccccc3cc2c1,WJRFCPIJNZCFCP-UHFFFAOYSA-N
rxn:2:110352:149066,CCNC(Cn1ccnc1)c1ccc2ccccc2c1,IXEFSOPTFDJMJO-UHFFFAOYSA-N
rxn:2:118149:107408,CC(NC1CCN(c2ccncn2)CC1)c1ccc(-c2ccsc2)s1,QCMYRISTQYIMNI-UHFFFAOYSA-N
rxn:2:131506:172618,CC(NCCc1ccno1)c1cc(-c2cc3sccc3s2)cs1,CTXGUFDMSIRQBQ-UHFFFAOYSA-N
rxn:2:85637:108959,CC(NCc1c[nH]c(=O)[nH]1)c1ccc(-c2cccs2)cc1,JVZGOQRRQZFNFJ-UHFFFAOYSA-N
rxn:2:104678:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3nc(C)nn3C)cc2)c1,FMZCPFVYCYUISE-UHFFFAOYSA-N
rxn:2:67009:170892,COc1ccnc(C#CCNC(C)c2ccc(-c3cc4sccc4s3)s2)n1,BDEPXPGRKZXPDS-UHFFFAOYSA-N
rxn:2:113171:107408,CC(NCCCc1cnn[nH]1)c1ccc(-c2ccsc2)s1,PKOQNUAJXLEFEF-UHFFFAOYSA-N
rxn:2:164315:107408,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(-c2ccsc2)s1,HKJADKJKXFTDMM-UHFFFAOYSA-N
rxn:2:88304:134351,COc1cc(C)c(C)cc1C(CN1CC1)Nc1ccno1,HJVGXBHXGPBKRC-UHFFFAOYSA-N
rxn:2:71347:110041,CC(NCCC#Cc1ccc(-c2nn[nH]n2)cc1)c1csc(-c2ccsc2)c1,AUIRMHKGRVWWPG-UHFFFAOYSA-N
rxn:2:136996:110334,Cc1ccc2cc(C(C)NOCc3nc[nH]n3)ccc2c1,JIHLIKXZQLKMSD-UHFFFAOYSA-N
rxn:2:68525:123403,COCc1cc(C#CCNC(C)c2cc3ccc(C)cc3s2)cs1,AWQMIBVSEWYEOF-UHFFFAOYSA-N
rxn:2:131907:94292,CCC(Nc1ncc(=O)[nH]n1)c1ccc(-c2sccc2C)s1,AWFJDQMQUSPHSV-UHFFFAOYSA-N
rxn:2:140908:127220,Cc1ccc(-c2cc(C(C)NCCCc3cnoc3)cs2)s1,WWTUTMBDGJRNSC-UHFFFAOYSA-N
rxn:2:150747:110334,Cc1ccc2cc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)ccc2c1,WWZSFPTXIQRLEJ-UHFFFAOYSA-N
rxn:2:91127:108959,CC(NCCC1CC1c1cncnc1)c1ccc(-c2cccs2)cc1,OJGODLGCGQVMCY-UHFFFAOYSA-N
rxn:2:162493:77974,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2ccccc2)s1,ROKKHHBJDBPLMS-UHFFFAOYSA-N
rxn:2:167592:143698,O=c1[nH]c2ncc(C#CCNC3CC(c4ccc5ccccc5c4)C3)cc2o1,JLFLCWCHYZPHHW-UHFFFAOYSA-N
rxn:2:139209:78538,Cc1ccsc1-c1ccc(C(C)Nc2n[nH]c(=O)[nH]2)cc1,NCZUOXJXUASAAO-UHFFFAOYSA-N
rxn:2:93504:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCCc1cocn1,DGQPZPQZYACZFE-UHFFFAOYSA-N
rxn:2:145188:110334,Cc1ccc2cc(C(C)NCCC#Cc3ccc4c(=O)[nH]cnc4c3)ccc2c1,PIUSFXRQYYCHKQ-UHFFFAOYSA-N
rxn:2:138457:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3ccc(-c4nn[nH]n4)cc3)cc2)s1,OGFKHAVOQHPTTC-UHFFFAOYSA-N
rxn:2:97318:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCc1cocn1,NTJLXMZVNLFJDC-UHFFFAOYSA-N
rxn:2:100246:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3nnnn3C)cc2)c1,LOKCZLQSISAUKA-UHFFFAOYSA-N
rxn:2:110352:143058,CCNC(COc1ccccc1C)c1cccc(C)c1,GYXJWBZGPMHRQM-UHFFFAOYSA-N
rxn:2:97543:109025,Cc1csc(-c2cc(C(C)NCCc3nnn[nH]3)cs2)c1,KEMCHUPGZZFRJC-UHFFFAOYSA-N
rxn:1:63096:24032,CNCCN1CC(Cn2cc(C3(O)CCN(C)C3=O)nn2)CC1=O,DWAHTDBAFMJVGW-UHFFFAOYSA-N
rxn:2:89509:88103,COCC(Nc1cncc(=O)[nH]1)c1cc2ccccc2s1,PYFAFFFFHMYPDU-UHFFFAOYSA-N
rxn:2:112154:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ccc(S(C)(=O)=O)cc2)cc1,OZHATRFAJCYKSJ-UHFFFAOYSA-N
rxn:2:84749:85686,CC(NCC1CC1c1ccc2[nH]cnc2c1)c1csc(-c2cccs2)c1,VOALJDQCRRVVOR-UHFFFAOYSA-N
rxn:2:76360:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCc3n[nH]nc3C)ccc1-2,UZTLDRFZNYEAHY-UHFFFAOYSA-N
rxn:2:80519:159692,S=c1[nH]cc(CCCNC2CCc3cc(-c4cccs4)ccc32)[nH]1,VHQFYRBUFBCOQD-UHFFFAOYSA-N
rxn:2:167169:122855,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cccs2)s1,CNDRUXXWUPWWDL-UHFFFAOYSA-N
rxn:2:141397:172751,CNC(C)c1ccc(-c2ccc(-c3cccs3)s2)cc1C,BSQYZTGTMSRSQI-UHFFFAOYSA-N
rxn:2:134916:146533,C=C=CCNC(C)c1ccc(-c2ccc3cnoc3c2)s1,PIYCPYIHJYIEEL-UHFFFAOYSA-N
rxn:2:138516:169412,Cc1csc(-c2ccc(CCC(C)NCCSCc3nc[nH]c3C)cc2)c1,QRLHCJDNNDUPED-UHFFFAOYSA-N
rxn:2:77560:154103,c1ccc2cc(C(Nc3cnoc3)c3cc[nH]c3)ccc2c1,XRQRVEBCAXEVKC-UHFFFAOYSA-N
rxn:2:108231:108959,CCCCn1cc(C#CCNC(C)c2ccc(-c3cccs3)cc2)cn1,OALLGTVCMMRHTQ-UHFFFAOYSA-N
rxn:2:112154:102373,Cc1ccc(C2CC(NCC#Cc3ccc(S(C)(=O)=O)cc3)C2)s1,NQPIFHMOGWJXPB-UHFFFAOYSA-N
rxn:2:116191:97264,Cc1cc(C#CCCNC2CC(C#Cc3ccccc3)C2)cs1,PDLBLVSOAXNYOT-UHFFFAOYSA-N
rxn:2:117571:70192,Cc1ccc(OCCC(C)Nc2cc[nH]n2)c(C)c1,WLPKKNCTTBCVBD-UHFFFAOYSA-N
rxn:2:101355:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3cnc4cc[nH]c4c3)cc2)s1,SOZMNQUHOHLPSW-UHFFFAOYSA-N
rxn:2:144681:87790,COc1cccc2c(C(C)NCCC#Cc3ccc4[nH]c(=O)oc4c3)csc12,JTCWQZMFIFGHMN-UHFFFAOYSA-N
rxn:2:93710:170892,COCC#Cc1ccc(CNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,RVUFHVIEJKXWAH-UHFFFAOYSA-N
rxn:2:128738:169851,CCn1ccc(CCCNC(C)c2ccc(-c3ccc(SC)cc3)cc2)n1,UUOIJXFMZDNILK-UHFFFAOYSA-N
rxn:2:99558:107408,COc1ccc(CCCNC(C)c2ccc(-c3ccsc3)s2)nn1,FKHPWUUYIIQIMU-UHFFFAOYSA-N
rxn:2:122705:109025,Cc1csc(-c2cc(C(C)NCCCc3ccc(-c4nn[nH]n4)cc3)cs2)c1,NFTHWHOISLQNMI-UHFFFAOYSA-N
rxn:2:110724:108959,CCOc1ccc(C#CCNC(C)c2ccc(-c3cccs3)cc2)cn1,NOWOEGLGMRCRBM-UHFFFAOYSA-N
rxn:2:112333:173095,CC(NCc1nc(=O)[nH][nH]1)c1ccc2sc3ccccc3c2c1,UYKNSABSIOGZCS-UHFFFAOYSA-N
rxn:2:111746:67655,CC(NCCCCc1cnccn1)c1ccc(-c2ccccc2)cc1,TWXPWVQVXVTHPF-UHFFFAOYSA-N
rxn:2:120564:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3nnco3)cc2)c1,ZPCGRPMHMOEDHU-UHFFFAOYSA-N
rxn:2:162493:85686,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1csc(-c2cccs2)c1,WKWNBZMXLBHFAN-UHFFFAOYSA-N
rxn:2:101355:127220,Cc1ccc(-c2cc(C(C)NCC#Cc3cnc4cc[nH]c4c3)cs2)s1,QVCPZNZWDTYWPO-UHFFFAOYSA-N
rxn:2:139991:171492,CCCC(NC(C)c1ccc(-c2cc3ccccc3s2)cc1)c1nnn[nH]1,QTTYSECDDISJCB-UHFFFAOYSA-N
rxn:2:133307:69508,CCC(NCCc1cn[nH]n1)c1ccc(-c2ccsc2)cc1,LEYRLKCHDQXBNZ-UHFFFAOYSA-N
rxn:2:67778:120822,Cc1ccc(-c2ccc(C(C)NCCC#Cc3cncnc3)cc2)s1,TVGKBQXWOVITBP-UHFFFAOYSA-N
rxn:2:105246:169305,COC(C)CCCNC(C)c1ccc(-c2cc3ccccc3o2)cc1C,OWVPPUQNMKMRRP-UHFFFAOYSA-N
rxn:2:72890:170411,CCSc1ccc(-c2ccc(C(C)NCCCCc3c[nH]cn3)c(C)c2)cc1,LXCKOSUNTMVSBX-UHFFFAOYSA-N
rxn:2:116288:68807,Cc1ccsc1-c1ccc(C(C)NC2(c3nc[nH]n3)CCCC2)s1,NQMWUBJPWABAGL-UHFFFAOYSA-N
rxn:2:89311:113397,Cc1cccc(OCCC(C)NCc2cn[nH]c2)c1,ARZKEHFRZBJHJB-UHFFFAOYSA-N
rxn:2:134698:114642,CCS(=O)(=O)OC[C@H]1CCC(NC(C)c2ccc(-c3cccs3)cc2)C1,NJTXLUOYQWQFLP-WUJZJPHMSA-N
rxn:2:134698:85115,CCS(=O)(=O)OCC1CCC(NC(C)c2ccc(-c3cccs3)cc2)C1,NJTXLUOYQWQFLP-UHFFFAOYSA-N
rxn:2:92749:88396,Cc1ccc(C(CN2CCCC2)Nc2nnn[nH]2)c(C)c1,XDEYTCSFUSHZIY-UHFFFAOYSA-N
rxn:2:135111:70192,Cc1ccc(OCCC(C)NCc2ccns2)c(C)c1,TWIBMFYBCJGPEV-UHFFFAOYSA-N
rxn:2:118279:169851,CSc1ccc(-c2ccc(C(C)NCCCc3cscn3)cc2)cc1,WPZWTVKEDHEUHU-UHFFFAOYSA-N
rxn:2:131974:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3cnccn3)cc2)c1,JXQQTORIRBAUPG-UHFFFAOYSA-N
rxn:2:118218:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cnc4cc[nH]c4c3)cc2)cs1,ZLNKYGPNNSWNFN-UHFFFAOYSA-N
rxn:2:162493:139886,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2ccco2)cc1,ZVSBXRAFAKZQOK-UHFFFAOYSA-N
rxn:2:167169:95801,Cc1cc(C(C)NCC#Cc2ccc3[nH]c(=O)sc3c2)ccc1-c1cc[nH]c1,JLOQECUTBWWKRQ-UHFFFAOYSA-N
rxn:2:141397:113546,CNC1CCC(c2ccc(C)cc2)C1,FPIDUOSAWDLWFV-UHFFFAOYSA-N
rxn:2:111746:78538,Cc1ccsc1-c1ccc(C(C)NCCCCc2cnccn2)cc1,QNOAWYHXJMTVBU-UHFFFAOYSA-N
rxn:2:83460:78538,CCC(NC(C)c1ccc(-c2sccc2C)cc1)c1nnn[nH]1,XMZWTOZMJFQXGV-UHFFFAOYSA-N
rxn:2:167592:141889,Cc1cccc(C2CCC(NCC#Cc3cnc4[nH]c(=O)oc4c3)CC2)c1,YGBHCNIWAKKOLB-UHFFFAOYSA-N
rxn:2:77560:170548,CC(Nc1cnoc1)c1cccc2cc3ccccc3cc12,BFGOGUMOEBOZTD-UHFFFAOYSA-N
rxn:2:133259:85686,CC(NCC1CC1c1ccc(-c2c[nH]cn2)cc1)c1csc(-c2cccs2)c1,QCGGVTUDARUUQC-UHFFFAOYSA-N
rxn:2:88848:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCC#Cc1ncccn1,QQXBCUCZQCCXRC-UHFFFAOYSA-N
rxn:2:85140:94292,CCC(NCC(C)COC1CCN(C)CC1)c1ccc(-c2sccc2C)s1,VZBMFGMDAPMCON-UHFFFAOYSA-N
rxn:2:137734:170060,Cc1cc(-c2ccc(CCC(C)NC3CCN(c4ccc(=O)[nH]n4)C3)cc2)cs1,LVKHQAKCDPIZAR-UHFFFAOYSA-N
rxn:2:82757:169412,Cc1csc(-c2ccc(CCC(C)NCC(C)COC3COC3)cc2)c1,PGRSNRKVNCRFLL-UHFFFAOYSA-N
rxn:2:68525:142192,COCc1cc(C#CCNC(C)c2ccc(-c3cccs3)cn2)cs1,STVXHZBYZPHYST-UHFFFAOYSA-N
rxn:2:113731:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cnc4[nH]ccc4c3)cc2)cs1,JFPMOLPMSHHUCV-UHFFFAOYSA-N
rxn:2:90799:120822,Cc1ccc(-c2ccc(C(C)NCCCc3ccc(S(C)(=O)=O)cc3)cc2)s1,HSRUXCRMDSMRKD-UHFFFAOYSA-N
rxn:2:124198:77187,C(#Cc1ccsc1)CCNC1CC(c2ccc3c(c2)CCO3)C1,XRPLITQJUNOQAC-UHFFFAOYSA-N
rxn:2:134247:68807,COc1ccc(C#CCNC(C)c2ccc(-c3sccc3C)s2)cn1,HWPUUQSILOZESB-UHFFFAOYSA-N
rxn:2:81109:96514,Cc1nc(-c2cc(C(C)NCC#Cc3ccc4[nH]ncc4c3)cs2)cs1,XNIHQKWEEQUWIU-UHFFFAOYSA-N
rxn:2:110352:83991,CCNC(Cc1cccc(C)c1)CC(C)CC,QORHHCFPARDCNA-UHFFFAOYSA-N
rxn:2:87637:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC3c3cnc4nc[nH]c4c3)cc2)cs1,XWJMRIJZDQTJQY-UHFFFAOYSA-N
rxn:2:92934:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]nnc4c3)cc2)s1,PQXPRSBFISXUCG-UHFFFAOYSA-N
rxn:2:82286:170060,Cc1cc(-c2ccc(CCC(C)NCCC#Cc3cncn3C)cc2)cs1,WAJBHUPBTBKUSS-UHFFFAOYSA-N
rxn:2:139991:169400,CCCC(NC(CC)c1ccc(-c2ccc(C)s2)cc1C)c1nnn[nH]1,SWDNVUABGRQGMI-UHFFFAOYSA-N
rxn:2:141695:123403,CSCCC(NC(C)c1cc2ccc(C)cc2s1)c1nnn[nH]1,RWPCFEOODHAKHW-UHFFFAOYSA-N
rxn:2:109567:173095,CC(NCc1cn[nH]n1)c1ccc2sc3ccccc3c2c1,TYTXTOLVCCCKIO-UHFFFAOYSA-N
rxn:2:92382:143909,CN(C)CCC(Nc1cn[nH]c1)c1ccc2ccccc2c1,UNFMJSVNAYSDGP-UHFFFAOYSA-N
rxn:2:74377:120205,Cc1cncc(C2CCC(NCCC#Cc3ccc(C)s3)CC2)c1,PXJOCHWFEJZRAA-UHFFFAOYSA-N
rxn:2:108667:96010,CC(NCCOc1ccc(-c2cccs2)nn1)c1ccc(-c2ccsc2)cc1,IVVSHQKMDHGSSY-UHFFFAOYSA-N
rxn:2:105205:142183,Cc1ccc(C2CCC2NCC=N)c(C)c1,YRWYUGCGJSZKLR-UHFFFAOYSA-N
rxn:2:114213:169856,CC(Nc1c[nH][nH]c1=O)c1cccc2c1sc1ccccc12,FDZKQSRQMWYYAR-UHFFFAOYSA-N
rxn:1:64028:21389,CCC(=O)NCc1cn(CC2CC(=O)N(CCO)C2)nn1,WJGKQQOSSFIGKO-UHFFFAOYSA-N
rxn:2:134698:118444,CCS(=O)(=O)OC[C@@H]1CCC(NC(C)c2ccc(-c3cccs3)cc2)C1,NJTXLUOYQWQFLP-KOHRHEQBSA-N
rxn:2:108728:78538,Cc1ccsc1-c1ccc(C(C)NC(c2nnn[nH]2)C2CC2)cc1,CRJBLXJLJOTOIE-UHFFFAOYSA-N
rxn:2:77519:170892,CC(NCCCCc1cnc2[nH]ccc2n1)c1ccc(-c2cc3sccc3s2)s1,AOOGUYQIDNCABZ-UHFFFAOYSA-N
rxn:2:86811:108959,CC(NC1CCC(CC2CCN(C)C2)CC1)c1ccc(-c2cccs2)cc1,NJXJEWKYGLSOGJ-UHFFFAOYSA-N
rxn:2:167169:85686,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1csc(-c2cccs2)c1,FUMLEDXXZMWNDM-UHFFFAOYSA-N
rxn:2:138255:123403,Cc1ccc2cc(C(C)N[C@H]3CC[C@@H](CCN(C)C)CC3)sc2c1,RKZQZDCIBIQQGS-FGQQEBQWSA-N
rxn:2:139105:120822,Cc1ccc(-c2ccc(C(C)NCCC#Cc3ncc[nH]3)cc2)s1,UVZFOSOLGSLEGG-UHFFFAOYSA-N
rxn:1:43730:5553,CC(N)c1cn(-c2ccc(Br)cc2I)nn1,VNVWZGDISPOANP-UHFFFAOYSA-N
rxn:2:141397:124159,CCc1ccccc1C1CCCC(NC)C1,HJWZWRRGTJNZFO-UHFFFAOYSA-N
rxn:2:73749:68807,Cc1ccsc1-c1ccc(C(C)NCCC#Cc2cn[nH]c2)s1,ACGNSDFZAAMVCH-UHFFFAOYSA-N
rxn:2:135125:147379,COc1ncc(C#CCNC(C)c2ccc(-c3cccc(C)c3)cc2)cn1,KTDQMVBKYAHVMP-UHFFFAOYSA-N
rxn:2:141397:130267,CNC(C)c1ccc2ccsc2c1,STTUSXHUTALNIZ-UHFFFAOYSA-N
rxn:2:159419:98873,Cc1ccc(OCC(NC2CC2)c2ccccc2)c(C)c1,IDUQPVXXXUKNGK-UHFFFAOYSA-N
rxn:2:138457:69508,CCC(NCC#Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2ccsc2)cc1,AOYZATAJFXPPFP-UHFFFAOYSA-N
rxn:2:74199:127220,Cc1ccc(-c2cc(C(C)NCCC#Cc3cnc4cc[nH]c4c3)cs2)s1,OLFFFRLAFIRNDT-UHFFFAOYSA-N
rxn:2:125968:169412,Cc1csc(-c2ccc(CCC(C)NCCCCc3cnn(C)c3)cc2)c1,PITGVUIIKKSJMH-UHFFFAOYSA-N
rxn:2:124792:171246,Cc1cc(-c2ccc(-c3ccco3)cc2)ccc1C(C)NCc1ccn[nH]1,VKEGXFNXDMYRKJ-UHFFFAOYSA-N
rxn:2:156072:142192,CC(NCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2cccs2)cn1,GRSIIGFJHFLHOZ-UHFFFAOYSA-N
rxn:2:120564:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3nnco3)c2)cc1C,WGCGVHJLQGPXEI-UHFFFAOYSA-N
rxn:2:77440:173095,CC(Nc1cnon1)c1ccc2sc3ccccc3c2c1,RBVJOMMLAGPKLW-UHFFFAOYSA-N
rxn:2:76896:78538,Cc1ccsc1-c1ccc(C(C)NCCC#Cc2cccnc2)cc1,HLRFTOLUUYCZRO-UHFFFAOYSA-N
rxn:2:138643:110041,CC(NC1CC(c2nc(-c3cc[nH]c3)c[nH]2)C1)c1csc(-c2ccsc2)c1,WWHGDTLSQROPGQ-UHFFFAOYSA-N
rxn:2:134099:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCCS(=O)(=O)F,NYAQSLFUCFUHFG-UHFFFAOYSA-N
rxn:2:109567:170892,CC(NCc1cn[nH]n1)c1ccc(-c2cc3sccc3s2)s1,CGJSIWUNQXCUFL-UHFFFAOYSA-N
rxn:2:125739:169412,Cc1csc(-c2ccc(CCC(C)NCC(C)CSc3ncn[nH]3)cc2)c1,QSXOGBXEYYZPMG-UHFFFAOYSA-N
rxn:2:92382:169414,Cc1ccc(-c2ccc3oc(C(C)Nc4cn[nH]c4)cc3c2)o1,MXJVBXMQPGKMTQ-UHFFFAOYSA-N
rxn:2:134347:107408,CC(NC1CCN(c2cnccn2)CC1)c1ccc(-c2ccsc2)s1,NDAPDCCCQFYQSN-UHFFFAOYSA-N
rxn:2:137907:169412,Cc1csc(-c2ccc(CCC(C)NC3CCCN(c4ncc[nH]c4=O)C3)cc2)c1,CNDAFWHZOFNRLQ-UHFFFAOYSA-N
rxn:2:101355:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2cnc3cc[nH]c3c2)cc1,XOGXQXLDLBHXDI-UHFFFAOYSA-N
rxn:2:112154:173095,CC(NCC#Cc1ccc(S(C)(=O)=O)cc1)c1ccc2sc3ccccc3c2c1,FQDKDGBSOMVIMM-UHFFFAOYSA-N
rxn:2:144636:111147,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nccs2)cc1,OLPHQLUHLGLJTR-UHFFFAOYSA-N
rxn:2:141397:173016,CNC(C)c1cc(-c2ccc(-c3ccco3)cc2)cs1,PSVQTFGFAOWMOE-UHFFFAOYSA-N
rxn:1:43730:39052,C[C@H](N)c1cn(-c2ccc(Br)cc2I)nn1,VNVWZGDISPOANP-LURJTMIESA-N
rxn:2:141397:153417,CNC(Cc1ccc2ccccc2c1)c1cccnc1,CURJXBAASSTKBD-UHFFFAOYSA-N
rxn:2:99080:159800,CCn1cc(C#CCNC(C)c2ccc(-c3ccc(OC)cc3)cc2)cn1,BPVUSUKDRWBIJJ-UHFFFAOYSA-N
rxn:2:125425:68807,Cc1ccsc1-c1ccc(C(C)N[C@H]2CC[C@H](CN3CCOCC3)CC2)s1,UJJPMYIADVLEDK-YIQCUVMYSA-N
rxn:2:141397:102419,CCCC(Cc1ccc2ccccc2c1)NC,MFUATRUUBWOHJV-UHFFFAOYSA-N
rxn:2:95601:91582,Cc1ccc(C2CC(NCC#Cc3cnn(-c4ncccn4)c3)C2)cc1,XLWVVAIZBSNKQE-UHFFFAOYSA-N
rxn:2:84839:120181,COc1cc(C#CCNC(C)c2ccc(-c3ccsn3)cc2)ccn1,LGROCVJIMRTVAO-UHFFFAOYSA-N
rxn:2:106136:169851,CCn1cc(C#CCCNC(C)c2ccc(-c3ccc(SC)cc3)cc2)cn1,RNGLPHVADWIILF-UHFFFAOYSA-N
rxn:2:141397:88106,CNC1CC[C@@H](c2ccc(C)cc2)C1,FPIDUOSAWDLWFV-PZORYLMUSA-N
rxn:2:100097:101283,CN(C)CCC1CCC(NC2CC(c3cccs3)C2)CC1,AEUYSCPUILGBDN-UHFFFAOYSA-N
rxn:2:81924:142183,Cc1ccc2cc(NCC=N)ccc2c1,INAVRXBEOJRAFZ-UHFFFAOYSA-N
rxn:2:162493:116515,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2cccs2)nc1,MHZRJEGWEYWWLU-UHFFFAOYSA-N
rxn:2:78809:102373,Cc1ccnc(C#CCCNC2CC(c3ccc(C)s3)C2)c1,DFSYAGIMDDOWKW-UHFFFAOYSA-N
rxn:2:127440:82325,CC(Nc1cnns1)c1ccc2ncccc2c1,BHDZLGAIONKYHS-UHFFFAOYSA-N
rxn:2:140868:170235,Cc1cccc(-c2ccc3oc(C(C)Nc4ccnc(S(C)(=O)=O)c4)cc3c2)c1,JXDSRIHNFFUJIC-UHFFFAOYSA-N
rxn:1:60111:27954,NCC=Cc1ccc(-c2cn(I)nn2)cc1,AVJLKAHPJCEPIB-UHFFFAOYSA-N
rxn:2:128745:170060,Cc1cc(-c2ccc(CCC(C)NCc3ncns3)cc2)cs1,IPQYESSJJJAUKR-UHFFFAOYSA-N
rxn:1:64028:28808,O=C(O)CC(=O)NCc1cn(CC2CC(=O)N(CCO)C2)nn1,PCGXCQDPOKTAQK-UHFFFAOYSA-N
rxn:2:128114:170060,Cc1cc(SCCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)ncn1,DCQXSDGJKKVAGO-UHFFFAOYSA-N
rxn:2:68805:115754,CCCc1[nH]ncc1NC(CSC)c1ccc2c(c1)CCCS2,VHIAKFXTNXXFII-UHFFFAOYSA-N
rxn:2:141397:169286,CNC(C)c1cccc(-c2cc3cc(C)ccc3s2)c1,AJACEBZCNXUVRE-UHFFFAOYSA-N
rxn:2:139310:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC(OS(C)(=O)=O)C3)cc2)cs1,ABRQWKYUQFLZCW-UHFFFAOYSA-N
rxn:2:105340:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCCS(=O)(=O)F,IQILDHCRZDHZJN-UHFFFAOYSA-N
rxn:2:141397:128669,CNC1CCC(c2ccc(C)cc2)CC1,KQCBKBRCKRPCFP-UHFFFAOYSA-N
rxn:2:89554:109025,Cc1csc(-c2cc(C(C)NCC#Cc3cnc4nc[nH]c4c3)cs2)c1,WGGNNXAVPBZOPQ-UHFFFAOYSA-N
rxn:2:141397:143246,CNC(Cc1ccc(C)c(C)c1)c1ccccc1,GDTKIKUTZWPBKY-UHFFFAOYSA-N
rxn:2:122644:142183,N=CCNCC#Cc1ccc2sccc2c1,ARWZMVUDQDOREK-UHFFFAOYSA-N
rxn:2:77260:142183,Cc1ccc2ccc(NCC=N)cc2c1,QBVGDYYNSONNEG-UHFFFAOYSA-N
rxn:2:150747:139886,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccco2)cc1,GDFLOOZFDUMXIQ-UHFFFAOYSA-N
rxn:2:86385:78538,Cc1ccsc1-c1ccc(C(C)NCc2c[nH]nn2)cc1,JFYYVEBHQTXLGT-UHFFFAOYSA-N
rxn:2:169860:142183,CCC[C@@H](NCC=N)c1ccc2c(c1)Cc1ccccc1-2,ALYTZYHJDMTXJQ-LJQANCHMSA-N
rxn:2:152434:171392,O=c1[nH]c2ccc(C#CCNC3CCC(c4csc5ccccc45)CC3)cc2c(=O)o1,CMKUOTDRGMIDTM-UHFFFAOYSA-N
rxn:2:141397:126659,CNC(C)c1cc2cc(C)ccc2s1,BMHRLEMIXDEACS-UHFFFAOYSA-N
rxn:2:138592:117056,Cc1nc(C2CC(NC(C)c3ccc(-c4ccsc4)cc3)C2)no1,UGSTWALRCZQYBU-UHFFFAOYSA-N
rxn:2:67101:142183,N=CCNCC#Cc1csc2ccccc12,PJGIGYXKBNOEGV-UHFFFAOYSA-N
rxn:1:43730:39051,C[C@@H](N)c1cn(-c2ccc(Br)cc2I)nn1,VNVWZGDISPOANP-ZCFIWIBFSA-N
rxn:2:141397:143624,CNC(C)c1ccc2c(c1)-c1ccccc1C2,ZKDVGFLQBZYDIV-UHFFFAOYSA-N
rxn:2:91909:142183,Cc1cscc1C#CCNCC=N,OTPRVXCGBPXZJZ-UHFFFAOYSA-N
rxn:2:124992:169412,CCC(COc1nonc1C)NC(C)CCc1ccc(-c2cc(C)cs2)cc1,UETMIBZAOWOPHE-UHFFFAOYSA-N
rxn:2:68583:142183,N=CCNC1CC1c1csc2ccccc12,NOFKLGKPWSIFJB-UHFFFAOYSA-N
rxn:2:141397:94314,CNC(C)c1csc2c(C)cccc12,RTMJVNXOSQBLQT-UHFFFAOYSA-N
rxn:2:78534:94292,CCC(Nc1ccc(=O)[nH]n1)c1ccc(-c2sccc2C)s1,DFIYQTPOVUCTJI-UHFFFAOYSA-N
rxn:2:141397:112875,CNC1CC(C#Cc2cccs2)C1,COZBPJXNJLYUQZ-UHFFFAOYSA-N
rxn:2:170140:142183,N=CCN[C@@H](CC1CC1)c1ccc2c(c1)Cc1ccccc1-2,RORHRGCVSVDBSB-FQEVSTJZSA-N
rxn:2:167169:172076,O=c1[nH]c2ccc(C#CCNC3CCC(c4nc(-c5cccs5)cs4)CC3)cc2s1,WVNVOKGGHJJUMV-UHFFFAOYSA-N
rxn:2:86397:170060,Cc1nc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)c[nH]1,GIANAHVBAVDGOY-UHFFFAOYSA-N
rxn:2:121887:81963,CC(CCc1ccc2[nH]ccc2c1)NCC1CC1c1ccsc1,PAWVTGAMEWHRQX-UHFFFAOYSA-N
rxn:1:65513:28813,NCCC1CC1c1ccc(-c2cn(-c3ccc(I)cc3)nn2)cc1,WAQNWWOSPYMHIY-UHFFFAOYSA-N
rxn:1:41711:28754,C[C@H](N)c1cn(-c2ccc(I)cc2Br)nn1,RQIVRTAWKJVQIV-LURJTMIESA-N
rxn:2:162493:96010,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2ccsc2)cc1,AGIISZVDYMRDIO-UHFFFAOYSA-N
rxn:1:45220:661,N#Cc1cn(CCC#Cc2cc(Br)ccc2Cl)nn1,YTEAJFRDQKOKAQ-UHFFFAOYSA-N
rxn:2:125751:170892,CC(NCC#Cc1cscn1)c1ccc(-c2cc3sccc3s2)s1,ZMSACOHJEIDZDH-UHFFFAOYSA-N
rxn:1:41711:3819,C[C@@H](N)c1cn(-c2ccc(I)cc2Br)nn1,RQIVRTAWKJVQIV-ZCFIWIBFSA-N
rxn:2:110352:126659,CCNC(C)c1cc2cc(C)ccc2s1,FTGMDVJIINCKML-UHFFFAOYSA-N
rxn:2:162493:108959,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2cccs2)cc1,LEWFNQHRQUYVCC-UHFFFAOYSA-N
rxn:1:63096:3810,CNCCN1CC(Cn2cc([C@@]3(O)CCN(C)C3=O)nn2)CC1=O,DWAHTDBAFMJVGW-MHTVFEQDSA-N
rxn:2:104011:110041,CC(NCC#Cc1ccc(N2CCN(C)CC2)cc1)c1csc(-c2ccsc2)c1,UTNPVULITPUYOE-UHFFFAOYSA-N
rxn:2:122351:169197,CC(Nc1c[nH]nn1)c1cccc2c1ccc1ccccc12,LGAGDUJSJBLLGZ-UHFFFAOYSA-N
rxn:2:141397:110334,CNC(C)c1ccc2cc(C)ccc2c1,WLOURNNOWGEIFH-UHFFFAOYSA-N
rxn:2:108320:170892,Cc1ncc(C#CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,ACZLDFBDJDLKOZ-UHFFFAOYSA-N
rxn:2:122351:73940,CSCC(Nc1c[nH]nn1)c1ccc(C)c(C)c1,NQZQDFARMINGAY-UHFFFAOYSA-N
rxn:2:86811:87722,CCOc1ccc(C(C)NC2CCC(CC3CCN(C)C3)CC2)cc1C,OYSXCIOAQPHHJJ-UHFFFAOYSA-N
rxn:1:60111:11984,NCCc1ccc(-c2cn(I)nn2)cc1,NFKKDGCXJVSOGM-UHFFFAOYSA-N
rxn:1:41711:5553,CC(N)c1cn(-c2ccc(I)cc2Br)nn1,RQIVRTAWKJVQIV-UHFFFAOYSA-N
rxn:2:132329:142183,Cc1ccc2c(c1)CC(NCC=N)CC2,RKSCNYHOANJVLP-UHFFFAOYSA-N
rxn:2:141397:83009,CNC(C)c1cc2ccccc2s1,GMQHZHJZFCFZTK-UHFFFAOYSA-N
rxn:2:141397:173095,CNC(C)c1ccc2sc3ccccc3c2c1,QVKKQCTYJSGQRZ-UHFFFAOYSA-N
rxn:2:101097:142183,N=CCNc1cc2cccccc-2c1,BYVYLSDQEPUXML-UHFFFAOYSA-N
rxn:2:137734:169412,Cc1csc(-c2ccc(CCC(C)NC3CCN(c4ccc(=O)[nH]n4)C3)cc2)c1,GVINPVNLUQKKBI-UHFFFAOYSA-N
rxn:2:89311:172332,CC12CCC3c4ccccc4CCC3C1CCC2NCc1cn[nH]c1,UXNUAIBNRBTYRD-UHFFFAOYSA-N
rxn:2:86071:109025,Cc1csc(-c2cc(C(C)NCCC#Cc3cnc4[nH]ccc4c3)cs2)c1,MNJSXOHNFWANDI-UHFFFAOYSA-N
rxn:2:116622:93647,CCCC(NC[C@@H]1C[C@H]1c1ncc[nH]1)c1ccc2ccccc2c1,UMTXZUDQTFNGRI-ABZYKWASSA-N
rxn:2:141819:173095,CC(NCCc1n[nH]c(=O)o1)c1ccc2sc3ccccc3c2c1,SQNVHVRBCDKCJQ-UHFFFAOYSA-N
rxn:2:106940:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCc1ncno1,DGCUEUJHUSDUJX-UHFFFAOYSA-N
rxn:1:41904:24341,CNC1CC1c1ccc(-c2cn(CC#Cc3ccsc3)nn2)cc1,VLUDPPMMOYBNAQ-UHFFFAOYSA-N
rxn:2:167169:84542,COc1ccc(C(C)NCC#Cc2ccc3[nH]c(=O)sc3c2)cc1C,GZUJTUZHBJNPAZ-UHFFFAOYSA-N
rxn:2:93504:170668,CC(NCCCc1cocn1)c1csc(-c2ccc(-c3ccco3)cc2)c1,NEBGBUJIXFVWOF-UHFFFAOYSA-N
rxn:2:127785:70192,Cc1ccc(OCCC(C)NCc2ccco2)c(C)c1,FVHPBSXZKVFEFL-UHFFFAOYSA-N
rxn:2:148312:142183,N=CCNc1ccc2oc(-c3ccccc3)cc2c1,RVAYUIPXPBFFGC-UHFFFAOYSA-N
rxn:2:113171:110334,Cc1ccc2cc(C(C)NCCCc3cnn[nH]3)ccc2c1,PJEYEFRAPXAYRS-UHFFFAOYSA-N
rxn:2:141397:134317,CNC(CCC(C)C)Cc1cccc(C)c1,CECSYZNOQVKTGY-UHFFFAOYSA-N
rxn:2:150747:128669,Cc1ccc(C2CCC(NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1,YTPKZWATEALDOE-UHFFFAOYSA-N
rxn:2:141397:171246,CNC(C)c1ccc(-c2ccc(-c3ccco3)cc2)cc1C,NMISRJKXVPEFGI-UHFFFAOYSA-N
rxn:2:160401:159692,O=c1[nH]c2ncc(C#CCCNC3CCc4cc(-c5cccs5)ccc43)cc2o1,TWMQHXLMKPENAK-UHFFFAOYSA-N
rxn:2:150747:142192,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cccs2)cn1,WBMFBSSVZJRYFC-UHFFFAOYSA-N
rxn:2:97024:95801,Cc1cc(C(C)NCCC#Cc2cscn2)ccc1-c1cc[nH]c1,ZPZNXUDNSGTFFZ-UHFFFAOYSA-N
rxn:2:124198:110985,Cc1nc(-c2ccsc2)sc1C(C)NCCC#Cc1ccsc1,DPKUAQUOFGPEKQ-UHFFFAOYSA-N
rxn:2:108186:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3cnc4nc[nH]c4c3)cc2)cs1,NJSPWWXFFBPAOO-UHFFFAOYSA-N
rxn:2:110352:169305,CCNC(C)c1ccc(-c2cc3ccccc3o2)cc1C,SUTGYCULMJGBRO-UHFFFAOYSA-N
rxn:2:93219:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCSCc3ccncc3)ccc1-2,JZNIPZGISBIJGS-UHFFFAOYSA-N
rxn:2:122923:173095,CC(NCCCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc2sc3ccccc3c2c1,BLWGCPXZUDZAMV-UHFFFAOYSA-N
rxn:2:164315:110041,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1csc(-c2ccsc2)c1,YDKYIIRKJWEEEN-UHFFFAOYSA-N
rxn:2:156072:139886,CC(NCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2ccco2)cc1,WMQIQAAJTVNYRU-UHFFFAOYSA-N
rxn:2:145665:142183,N=CCNC(Cc1ccc2[nH]ccc2c1)c1cnsc1,YJEXNNVNVXGNDR-UHFFFAOYSA-N
rxn:2:104748:170892,CC(NCCc1c[nH]cn1)c1ccc(-c2cc3sccc3s2)s1,WNTQVHSTBXEMQK-UHFFFAOYSA-N
rxn:2:127150:108959,CC(NCC1CCC(CN(C)C)CC1)c1ccc(-c2cccs2)cc1,OIVVURIWGYGEJZ-UHFFFAOYSA-N
rxn:2:78535:141988,Cc1cc(-c2ccc(C(C)NCC#Cc3cnc4cn[nH]c4c3)s2)cs1,WNCIEJFLUNJRQD-UHFFFAOYSA-N
rxn:2:97946:96010,CC(NCCC#Cc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccsc2)cc1,DPQAXNGFXCLXEO-UHFFFAOYSA-N
rxn:2:140720:123403,Cc1ccc2cc(C(C)NCC#Cc3csc(Cn4cccn4)c3)sc2c1,WFVRPGWECBYLOX-UHFFFAOYSA-N
rxn:2:97946:90126,CC(NCCC#Cc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccsc2)cn1,GVUBDRNHABXJQL-UHFFFAOYSA-N
rxn:2:125198:170858,Cc1csc(-c2ccc(C(C)NCCn3ncnn3)cc2C)c1,NVNPFFADJJLSOX-UHFFFAOYSA-N
rxn:2:162493:113626,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2cc[nH]c2)s1,KOLNRIQETWBXDT-UHFFFAOYSA-N
rxn:2:117865:172618,CC(NCCC#Cc1cnc(N(C)C)nc1)c1cc(-c2cc3sccc3s2)cs1,GXIDEJSPUYLLGT-UHFFFAOYSA-N
rxn:2:139105:96010,CC(NCCC#Cc1ncc[nH]1)c1ccc(-c2ccsc2)cc1,PHWNWKXHYHOACZ-UHFFFAOYSA-N
rxn:2:127621:156984,COc1csc(-c2ccc(C(C)NCCC3CC3c3cnc4nc[nH]c4c3)c(C)c2)c1,VZERDJWEEPTKOV-UHFFFAOYSA-N
rxn:1:64028:814,COCC(=O)NCc1cn(CC2CC(=O)N(CCO)C2)nn1,PIWMEZJZOSMLQX-UHFFFAOYSA-N
rxn:2:72913:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCC#Cc1ncccn1,FEVPLRDCMWOUEW-UHFFFAOYSA-N
rxn:2:124198:137603,Cc1cccc(C2CCC(NCCC#Cc3ccsc3)C2)c1,XLNJKQCTEYLGII-UHFFFAOYSA-N
rxn:2:173047:142183,N=CCNc1cccc2c1ccc1c3ccccc3ccc21,ZIFKXXVDSSMUFU-UHFFFAOYSA-N
rxn:2:112154:108959,CC(NCC#Cc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2cccs2)cc1,OFCNJGHQZHPBMJ-UHFFFAOYSA-N
rxn:2:70555:170411,CCSc1ccc(-c2ccc(C(C)NCCc3cnc(OC)nc3)c(C)c2)cc1,XOQJKOMHNSMYGX-UHFFFAOYSA-N
rxn:2:112079:161103,CSc1ncc(CCCNC(C)c2ccc3c(c2)Cc2ccccc2-3)cn1,WYYHXOYPNOPDIR-UHFFFAOYSA-N
rxn:2:142622:141988,Cc1cc(-c2ccc(C(C)NCCC#Cc3ccc4[nH]c(=O)sc4c3)s2)cs1,VAHBMEWZWNEJQG-UHFFFAOYSA-N
rxn:2:111985:83009,CC(NCCCc1cc[nH]n1)c1cc2ccccc2s1,HZWYPOHIPRARCN-UHFFFAOYSA-N
rxn:2:113575:110041,CC(NCCOc1ccc(-c2ncncn2)cc1)c1csc(-c2ccsc2)c1,HQDFESMUUQZVDI-UHFFFAOYSA-N
rxn:2:69663:148477,CC(NCCCc1ccccn1)c1ccc2c(c1)CCc1ccccc1-2,WHNYJMZVXYIEKB-UHFFFAOYSA-N
rxn:2:108320:76379,Cc1ncc(C#CCCNC(C)c2ccc(-c3cscn3)cc2)cn1,FLYHTDADAKLVRZ-UHFFFAOYSA-N
rxn:2:120823:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCOc3nccc(C)n3)ccc1-2,RAAAMPFOLJIDTM-UHFFFAOYSA-N
rxn:2:97024:170060,Cc1cc(-c2ccc(CCC(C)NCCC#Cc3cscn3)cc2)cs1,MFZABAYLHTVHMG-UHFFFAOYSA-N
rxn:2:123716:146533,CC(NCc1cnoc1)c1ccc(-c2ccc3cnoc3c2)s1,ZRKLRXRQGAERMY-UHFFFAOYSA-N
rxn:2:141204:120181,CC(NCCC#Cc1ccc2[nH]ccc2c1)c1ccc(-c2ccsn2)cc1,CEWUNLCFDQMSMB-UHFFFAOYSA-N
rxn:2:113171:170668,CC(NCCCc1cnn[nH]1)c1csc(-c2ccc(-c3ccco3)cc2)c1,GPUHYZBEOXJHRV-UHFFFAOYSA-N
rxn:2:125578:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC3c3ccc4[nH]nnc4c3)cc2)cs1,DXULROQOVSNGMW-UHFFFAOYSA-N
rxn:2:73636:142183,Cc1cccc(NCC=N)c1,YVVBOFKVHSRMDA-UHFFFAOYSA-N
rxn:2:117226:170892,COc1cc(CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)ccn1,VEYPTULSTZUTPL-UHFFFAOYSA-N
rxn:2:67187:141195,CCC(Nc1cncnc1)c1ccc(-c2sccc2C)cc1,BYISCFBFKIXVCI-UHFFFAOYSA-N
rxn:2:158858:107408,CC(NCC1CC1c1ccc2[nH]c(=O)oc2c1)c1ccc(-c2ccsc2)s1,KEFOBZHETYFOJO-UHFFFAOYSA-N
rxn:2:149481:108959,CC(NCC1CC1c1cnc2[nH]c(=O)oc2c1)c1ccc(-c2cccs2)cc1,WCIQMKNJFYGRQU-UHFFFAOYSA-N
rxn:2:70378:169666,CC(NCCCCc1cc[nH]c1)c1cc(-c2ccc(-c3cccnc3)cc2)cs1,NABQPELZXVWEPX-UHFFFAOYSA-N
rxn:2:92382:88396,Cc1ccc(C(CN2CCCC2)Nc2cn[nH]c2)c(C)c1,SCHBCOZFFSPKIV-UHFFFAOYSA-N
rxn:2:76625:127220,Cc1ccc(-c2cc(C(C)NCCC#Cc3cnc[nH]3)cs2)s1,GAIZMUAWEXKDEE-UHFFFAOYSA-N
rxn:2:137816:120822,CSc1ncc(C#CCNC(C)c2ccc(-c3ccc(C)s3)cc2)cn1,HEYFRQPDNVALKD-UHFFFAOYSA-N
rxn:2:92623:83817,CSC1CCCC(NC(C)CCOc2ccccc2C)C1,JXKXPKDRTBAASS-UHFFFAOYSA-N
rxn:2:110352:96033,CCNC(CC1CCCC1)c1ccc(OC)c(C)c1,HDAVIXKQKHSYQK-UHFFFAOYSA-N
rxn:2:84839:107408,COc1cc(C#CCNC(C)c2ccc(-c3ccsc3)s2)ccn1,ZDHNRUWRKMCPRI-UHFFFAOYSA-N
rxn:2:92434:68807,Cc1ccsc1-c1ccc(C(C)NC(CC(C)C)c2nnn[nH]2)s1,FJLUPHRIDSBAEG-UHFFFAOYSA-N
rxn:2:95804:70192,Cc1ccc(OCCC(C)NC2CCc3c[nH]cc3C2)c(C)c1,SXPHULRRUQDONB-UHFFFAOYSA-N
rxn:2:111390:173095,CC(Nc1cn(C)nn1)c1ccc2sc3ccccc3c2c1,ZKZHVZRXHKFJJD-UHFFFAOYSA-N
rxn:2:107115:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3ccccn3)cc2)cs1,PJWZWNQKGZXHFS-UHFFFAOYSA-N
rxn:2:134698:80324,CC(NC1CCN(c2cnccn2)CC1)c1ccc(-c2cccs2)cc1,HTCYSISZQGJYPY-UHFFFAOYSA-N
rxn:2:72244:67686,COc1cccc(C(CN2CC2)Nc2ccc3c(c2)OCCS3)c1,RQCDMYZWKLRFLH-UHFFFAOYSA-N
rxn:2:113672:141988,Cc1cc(-c2ccc(C(C)NCCC3CC3c3cc[nH]c3)s2)cs1,QIPSCAUFXCEPDX-UHFFFAOYSA-N
rxn:2:67562:107408,CC(NCCCc1cnc2cn[nH]c2c1)c1ccc(-c2ccsc2)s1,GBZYKVZFTKFKME-UHFFFAOYSA-N
rxn:2:112846:142183,Cc1ccc(CONCC=N)c(C)c1,WABRBPZYXCFOLG-UHFFFAOYSA-N
rxn:2:125874:66791,Cc1csc(-c2csc(C(C)NCCCc3ccc4[nH]c(=O)sc4c3)c2)c1,ZZHFUHNIMDYAHB-UHFFFAOYSA-N
rxn:2:108070:70192,Cc1ccc(OCCC(C)NCc2cccs2)c(C)c1,OEYXYDWNEUDKGS-UHFFFAOYSA-N
rxn:2:109311:169340,CC(NCc1ccno1)c1ccc(-c2cc3ccccc3s2)s1,UYPADAZPVYIULK-UHFFFAOYSA-N
rxn:2:87971:107408,CC(N[C@H]1CC[C@H](CCN(C)C)CC1)c1ccc(-c2ccsc2)s1,XQMRPPHVYJCECS-CPONINCNSA-N
rxn:2:96712:146533,CC(NCCCc1ccsn1)c1ccc(-c2ccc3cnoc3c2)s1,OHNNEQSWVUUSRL-UHFFFAOYSA-N
rxn:2:120564:159800,COc1ccc(-c2ccc(C(C)NCCCc3nnco3)cc2)cc1,OKRBEJAIYLKHQR-UHFFFAOYSA-N
rxn:2:129587:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3ncccn3)cc2)c1,RDAYPLSBUAGWLP-UHFFFAOYSA-N
rxn:2:97900:148477,CC(Nc1n[nH]c2[nH]ncc12)c1ccc2c(c1)CCc1ccccc1-2,MBQOZEZJMMQILI-UHFFFAOYSA-N
rxn:2:87637:108959,CC(NCC1CC1c1cnc2nc[nH]c2c1)c1ccc(-c2cccs2)cc1,YFRVUIMJMCPSFN-UHFFFAOYSA-N
rxn:2:80519:82123,CCC(NCCCc1c[nH]c(=S)[nH]1)C(C)Cc1ccc(C)cc1C,FRXLUQZZDLOBEP-UHFFFAOYSA-N
rxn:2:81009:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCc1cncnc1,CXHNLBZEBUYTJO-UHFFFAOYSA-N
rxn:2:134689:120822,Cc1ccc(-c2ccc(C(C)NCCCC3CCN(C)CC3)cc2)s1,UTKWCBXOYLWWQT-UHFFFAOYSA-N
rxn:2:74302:108959,CC(NCCc1cc(-c2ccsc2)n[nH]1)c1ccc(-c2cccs2)cc1,BPLCDEPBBBOZAP-UHFFFAOYSA-N
rxn:2:138457:170892,CC(NCC#Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2cc3sccc3s2)s1,ZFCQHXWHHOCAOM-UHFFFAOYSA-N
rxn:2:99601:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3cnn(C)n3)c2)cc1C,MSQCBGAWMLKVLQ-UHFFFAOYSA-N
rxn:2:135915:171669,Cc1cc(-c2ccc(C(C)NCCC3CC3c3[nH]cnc3C)cc2)c(C)s1,AWPKBCVQTWIBKX-UHFFFAOYSA-N
rxn:2:85630:170060,Cc1cc(-c2ccc(CCC(C)NCCCOc3cnn(C)c3)cc2)cs1,YAVPXYZCXPGLSA-UHFFFAOYSA-N
rxn:2:120564:170940,COc1ccc2oc(-c3ccc(C(C)NCCCc4nnco4)s3)cc2c1,VKKBGDDWOOFEAK-UHFFFAOYSA-N
rxn:2:141397:148269,CNC(Cc1ccc2ccccc2n1)c1ccccc1,AABFTQOGHCMLCH-UHFFFAOYSA-N
rxn:2:104011:114519,Cc1sccc1-c1ccc(C(C)NCC#Cc2ccc(N3CCN(C)CC3)cc2)cc1,WAULATWWPMWBLG-UHFFFAOYSA-N
rxn:2:73951:88103,COCC(Nc1cn[nH]c(=O)c1)c1cc2ccccc2s1,XRJITGSTSLQVAH-UHFFFAOYSA-N
rxn:2:167592:92488,CC(NCC#Cc1cnc2[nH]c(=O)oc2c1)c1cc(-c2ccsc2)cs1,OAWOATMEXPMLLS-UHFFFAOYSA-N
rxn:2:114505:169412,CCn1ccnc1CCCNC(C)CCc1ccc(-c2cc(C)cs2)cc1,KKTKKXXIQBDPNP-UHFFFAOYSA-N
rxn:2:92934:96514,Cc1nc(-c2cc(C(C)NCC#Cc3ccc4[nH]nnc4c3)cs2)cs1,RYBNXBGIIQPNMU-UHFFFAOYSA-N
rxn:1:64007:21389,CCC(=O)NCc1cn(CC2CC(=O)N(CCC(=O)O)C2)nn1,MXUIHSZASYAHKE-UHFFFAOYSA-N
rxn:2:137534:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCc1nnco1,GLQOYEKNLMWOAX-UHFFFAOYSA-N
rxn:2:97024:127577,C(#Cc1cscn1)CCNC1CC2(C1)CC(c1ccccc1)C2,RQNWRMNBXFYDFL-UHFFFAOYSA-N
rxn:2:113426:108959,CC(NCc1ccc(-c2ccc(=O)[nH]n2)cc1)c1ccc(-c2cccs2)cc1,KDAMEDKFUBINRD-UHFFFAOYSA-N
rxn:2:74199:91511,Cc1ccc(-c2cc(C(C)NCCC#Cc3cnc4cc[nH]c4c3)cs2)o1,NZWCXXGLCGZCKH-UHFFFAOYSA-N
rxn:2:111985:173095,CC(NCCCc1cc[nH]n1)c1ccc2sc3ccccc3c2c1,JSMPHTMEIRAPAA-UHFFFAOYSA-N
rxn:2:110352:72160,CCNC(c1ccc2c(c1)CCCS2)C1CCCC1,VARPPKAHBQRLMT-UHFFFAOYSA-N
rxn:2:72890:169851,CSc1ccc(-c2ccc(C(C)NCCCCc3c[nH]cn3)cc2)cc1,OWTHWCCPDANWHH-UHFFFAOYSA-N
rxn:2:91747:170411,CCSc1ccc(-c2ccc(C(C)NCCc3cnc(SC)nc3)c(C)c2)cc1,GPZZDMQRQKHVJS-UHFFFAOYSA-N
rxn:2:75557:130267,CC(NCCCc1nnn[nH]1)c1ccc2ccsc2c1,UEQUZNSGDLJIEO-UHFFFAOYSA-N
rxn:2:82511:172076,C(#Cc1ccc2[nH]cnc2c1)CCNC1CCC(c2nc(-c3cccs3)cs2)CC1,ZCTZVBOUIRZPRA-UHFFFAOYSA-N
rxn:2:103984:172618,COc1ccc(C#CCCNC(C)c2cc(-c3cc4sccc4s3)cs2)nc1,CCYXJYBFUXTPFB-UHFFFAOYSA-N
rxn:2:167169:154787,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc2sc(=S)[nH]c2c1,LDIVLPLOXNAQEL-UHFFFAOYSA-N
rxn:2:162493:100541,COc1ccc2cc(C(C)NCC#Cc3ccc4c(=O)[nH]cnc4c3)sc2c1,VRZNRBFRWFDEEA-UHFFFAOYSA-N
rxn:2:116231:96010,Cc1nc[nH]c1C#CCCNC(C)c1ccc(-c2ccsc2)cc1,JNPLFDIIQTVDQL-UHFFFAOYSA-N
rxn:2:100097:107408,CC(NC1CCC(CCN(C)C)CC1)c1ccc(-c2ccsc2)s1,XQMRPPHVYJCECS-UHFFFAOYSA-N
rxn:2:162493:129654,Cc1nc(-c2ccsc2)ccc1C(C)NCC#Cc1ccc2c(=O)[nH]cnc2c1,RPAPJKINBMYFCW-UHFFFAOYSA-N
rxn:2:140720:116515,CC(NCC#Cc1csc(Cn2cccn2)c1)c1ccc(-c2cccs2)nc1,GLNVMBSDYBLVEX-UHFFFAOYSA-N
rxn:2:137922:68807,CCOc1ncc(C#CCNC(C)c2ccc(-c3sccc3C)s2)cn1,GQJAKJVXYVVLMO-UHFFFAOYSA-N
rxn:2:117865:170892,CC(NCCC#Cc1cnc(N(C)C)nc1)c1ccc(-c2cc3sccc3s2)s1,FIDJCDCMEHYGQT-UHFFFAOYSA-N
rxn:2:133573:170892,Cc1ccc(C#CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)nn1,FRWTZCVOTBFDMS-UHFFFAOYSA-N
rxn:2:128738:169412,CCn1ccc(CCCNC(C)CCc2ccc(-c3cc(C)cs3)cc2)n1,USAHQGKCUBAZIJ-UHFFFAOYSA-N
rxn:2:135415:170892,Cc1nc(CCCCNC(C)c2ccc(-c3cc4sccc4s3)s2)c[nH]1,ITQBDWDLRDQLAQ-UHFFFAOYSA-N
rxn:2:141397:161697,CNC(C#Cc1ccc(C)cc1)c1ccccc1,VNUSRMHOJADTGF-UHFFFAOYSA-N
rxn:2:152434:120181,CC(NCC#Cc1ccc2[nH]c(=O)oc(=O)c2c1)c1ccc(-c2ccsn2)cc1,NKBVPLSQNYNSPA-UHFFFAOYSA-N
rxn:2:114592:170060,Cc1cc(-c2ccc(CCC(C)NCCCSc3nccn3C)cc2)cs1,SODQKZOXLIWJIY-UHFFFAOYSA-N
rxn:2:114204:169851,CSc1ccc(-c2ccc(C(C)NCC#Cc3cnccn3)cc2)cc1,QSJFSFFBPCWFQC-UHFFFAOYSA-N
rxn:2:132440:170892,CC(NCC#Cc1cc(N(C)C)ncn1)c1ccc(-c2cc3sccc3s2)s1,DSXMQNPJMDLFSL-UHFFFAOYSA-N
rxn:2:120985:169412,Cc1csc(-c2ccc(CCC(C)NC3CCN(c4cc(=O)[nH]cn4)CC3)cc2)c1,ISVWRGZWYHZYTM-UHFFFAOYSA-N
rxn:2:104011:83197,CN1CCN(c2ccc(C#CCNC3CCC(Sc4cccs4)CC3)cc2)CC1,POLNBVANLMLTAW-UHFFFAOYSA-N
rxn:2:113822:123403,Cc1ccc2cc(C(C)NCCCc3ccc(C)nn3)sc2c1,IMEPDCMDNVDKQI-UHFFFAOYSA-N
rxn:2:100429:169412,Cc1csc(-c2ccc(CCC(C)N[C@H]3CCCN(c4ncccn4)C3)cc2)c1,MGBPJHMPSHVSGB-BPARTEKVSA-N
rxn:2:117377:169412,Cc1csc(-c2ccc(CCC(C)NCCC3CCn4ccnc43)cc2)c1,IQLPVNSFCJVZOV-UHFFFAOYSA-N
rxn:2:107531:105824,CN(C)C(CNCc1nn[nH]n1)c1ccc2c(c1)CCCS2,SFVOAYMJBZAPBY-UHFFFAOYSA-N
rxn:1:64017:6151,CN1CC[C@](O)(c2cn(CC3CC(=O)N(CCN)C3)nn2)C1=O,HLDSUOKMUVFQSR-SBNLOKMTSA-N
rxn:2:112208:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCSCc3cnccn3)ccc1-2,PQHJNHDDKCGOOZ-UHFFFAOYSA-N
rxn:2:95768:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCSCc3cnc(C)s3)ccc1-2,JQXDAGAIYLLISS-UHFFFAOYSA-N
rxn:2:146036:110041,CC(NCC1CC1c1ccc2[nH]c(=O)[nH]c2c1)c1csc(-c2ccsc2)c1,VOTGVYSYPOVRHO-UHFFFAOYSA-N
rxn:2:82949:67686,COc1cccc(C(CN2CC2)Nc2cccc3sccc23)c1,MYTVMZSODKOQCZ-UHFFFAOYSA-N
rxn:2:110352:170668,CCNC(C)c1csc(-c2ccc(-c3ccco3)cc2)c1,CDXXBSPDJOVFFM-UHFFFAOYSA-N
rxn:2:108320:90126,Cc1ncc(C#CCCNC(C)c2ccc(-c3ccsc3)cn2)cn1,TVCYQIPMOVRMJI-UHFFFAOYSA-N
rxn:2:120564:120822,Cc1ccc(-c2ccc(C(C)NCCCc3nnco3)cc2)s1,BLSGIBHUNPYDNS-UHFFFAOYSA-N
rxn:2:118136:169412,Cc1csc(-c2ccc(CCC(C)NC[C@@H]3CC[C@H](c4ncn[nH]4)O3)cc2)c1,XKUQWIDHVRRHDC-KHMGXFTDSA-N
rxn:2:94733:156511,c1ccc(-c2ccc3c(c2)CCC(NCCCc2ccco2)C3)cc1,ACWHYGYHVHBENE-UHFFFAOYSA-N
rxn:2:93644:169567,CC(Nc1cn[nH]n1)c1ccc2ccc3cccc4ccc1c2c34,AOVUWXWARUOHNT-UHFFFAOYSA-N
rxn:2:66976:88103,COCC(Nc1ncon1)c1cc2ccccc2s1,GWRQVAIDAJREQA-UHFFFAOYSA-N
rxn:2:100097:102373,Cc1ccc(C2CC(NC3CCC(CCN(C)C)CC3)C2)s1,UKCZGFOFTQPAQO-UHFFFAOYSA-N
rxn:2:144681:120822,Cc1ccc(-c2ccc(C(C)NCCC#Cc3ccc4[nH]c(=O)oc4c3)cc2)s1,SUDLPOMDBQJYQG-UHFFFAOYSA-N
rxn:2:104011:82536,CC(CCCc1cccs1)NCC#Cc1ccc(N2CCN(C)CC2)cc1,KOFXSTYFKXNEQN-UHFFFAOYSA-N
rxn:2:139637:173095,CC(NCc1nnco1)c1ccc2sc3ccccc3c2c1,SZYJRCYORRCKKJ-UHFFFAOYSA-N
rxn:2:76625:109025,Cc1csc(-c2cc(C(C)NCCC#Cc3cnc[nH]3)cs2)c1,LYYSWPKMSNIZEE-UHFFFAOYSA-N
rxn:2:135754:170892,COCCn1cc(C#CCNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,HLMWQURXJOGDBE-UHFFFAOYSA-N
rxn:2:131907:125240,CCc1cccc2c1CCC(Nc1ncc(=O)[nH]n1)C2,XZNAHVCQPHDABY-UHFFFAOYSA-N
rxn:2:111746:96010,CC(NCCCCc1cnccn1)c1ccc(-c2ccsc2)cc1,HBAXUMSLDUUNLH-UHFFFAOYSA-N
rxn:2:67593:126659,Cc1ccc2sc(C(C)NCC#Cc3cn[nH]c3)cc2c1,KODQDNGMKTUFHR-UHFFFAOYSA-N
rxn:2:93644:143624,CC(Nc1cn[nH]n1)c1ccc2c(c1)-c1ccccc1C2,UVHFYPJLAKIVHV-UHFFFAOYSA-N
rxn:2:156072:117734,CC(NCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2ccccn2)cc1,BFIJXUZKSNBHJW-UHFFFAOYSA-N
rxn:2:132131:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCc3ncno3)ccc1-2,WUZFCHSXULJEQE-UHFFFAOYSA-N
rxn:2:70925:170060,Cc1cc(-c2ccc(CCC(C)NCCC3CC3c3ccc[nH]3)cc2)cs1,YQZMPMAZMCUDDM-UHFFFAOYSA-N
rxn:2:144636:129363,CSc1nc2cc(C(C)NCCC#Cc3ccc4[nH]c(=O)[nH]c4c3)ccc2s1,JMBLNCBOCJHAPO-UHFFFAOYSA-N
rxn:2:90327:129654,Cc1nc(-c2ccsc2)ccc1C(C)NCCCc1cnc[nH]1,PDNINDVNVJFRDS-UHFFFAOYSA-N
rxn:2:101355:111147,CC(NCC#Cc1cnc2cc[nH]c2c1)c1ccc(-c2nccs2)cc1,GMTIKSDRBVKXBC-UHFFFAOYSA-N
rxn:2:167169:127514,CCc1nc2cc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)ccc2s1,YLCRBBMBLQOICQ-UHFFFAOYSA-N
rxn:2:135754:127220,COCCn1cc(C#CCNC(C)c2csc(-c3ccc(C)s3)c2)cn1,GATYNRONMFTCDI-UHFFFAOYSA-N
rxn:2:75081:126999,Cc1cc(-c2cccs2)ccc1NC1CCN(C)C1C,WWAIHHIVSOVHOL-UHFFFAOYSA-N
rxn:2:121552:70192,Cc1ccc(OCCC(C)NCc2cscn2)c(C)c1,LNKBLWBDSWHTFC-UHFFFAOYSA-N
rxn:2:79392:169666,CC(NCCCCc1cn[nH]c1)c1cc(-c2ccc(-c3cccnc3)cc2)cs1,XZPDWMBAHYJCHI-UHFFFAOYSA-N
rxn:2:114429:169412,Cc1csc(-c2ccc(CCC(C)NCCC3CC3c3cn[nH]c3)cc2)c1,QKHULYMIXVZPJY-UHFFFAOYSA-N
rxn:2:76322:68807,Cc1ccsc1-c1ccc(C(C)NC2CCN(c3cnsn3)CC2)s1,GDSSYWKTNHIGSR-UHFFFAOYSA-N
rxn:2:76912:96010,CC(NCCc1cc(-c2ccncc2)[nH]n1)c1ccc(-c2ccsc2)cc1,XSJDOYPWAQXGAG-UHFFFAOYSA-N
rxn:2:89033:72767,COc1ccc(C2CCC(NCCc3cnoc3)CC2)cc1,DRXHVROJAUAXPU-UHFFFAOYSA-N
rxn:2:137534:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCc1nnco1,JNHLCJRXJRCCCB-UHFFFAOYSA-N
rxn:2:97517:107408,CC(NCCCc1ccc(N2CCN(C)CC2)cc1)c1ccc(-c2ccsc2)s1,KAWQJUMIVQMPSF-UHFFFAOYSA-N
rxn:2:87971:123403,Cc1ccc2cc(C(C)N[C@H]3CC[C@H](CCN(C)C)CC3)sc2c1,RKZQZDCIBIQQGS-UTPHLMKXSA-N
rxn:2:140546:169594,CC(NCc1nc(=O)o[nH]1)c1ccc2c(ccc3ccccc32)c1,CPIREZKCRRRUGS-UHFFFAOYSA-N
rxn:2:122723:70192,Cc1ccc(OCCC(C)NC2CCCC(S(=O)(=O)C(C)C)C2)c(C)c1,XSGQZZPTADJGLJ-UHFFFAOYSA-N
rxn:2:67562:96010,CC(NCCCc1cnc2cn[nH]c2c1)c1ccc(-c2ccsc2)cc1,HYPDNWASXAVMBM-UHFFFAOYSA-N
rxn:2:87971:94314,Cc1cccc2c(C(C)N[C@H]3CC[C@H](CCN(C)C)CC3)csc12,QQJXDNWGESOAQL-ZNUUHSPMSA-N
rxn:2:103296:169340,CC(NCc1ncon1)c1ccc(-c2cc3ccccc3s2)s1,MJYGASYNRCSZFD-UHFFFAOYSA-N
rxn:1:64028:9997,CC(=O)CC(=O)NCc1cn(CC2CC(=O)N(CCO)C2)nn1,SWJVATQSHGMHHM-UHFFFAOYSA-N
rxn:2:108338:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCOc3ccncc3)ccc1-2,OLSUPDZBSCNGQY-UHFFFAOYSA-N
rxn:2:95370:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3ccc(S(=O)(=O)F)cc3)cc2)cs1,MNXPBWQCPCTNJZ-UHFFFAOYSA-N
rxn:2:164315:103126,Cc1cccc(C2CC(NCCC#Cc3ccc4[nH]c(=O)[nH]c(=O)c4c3)C2)c1,XDMBBURZKCJANQ-UHFFFAOYSA-N
rxn:2:111746:127220,Cc1ccc(-c2cc(C(C)NCCCCc3cnccn3)cs2)s1,QGHDQIZALHRYOZ-UHFFFAOYSA-N
rxn:2:125962:67202,CCC(N[C@H](C)c1ccc(-c2cccs2)cc1)c1cnco1,CORVTEHNNRLJCA-JBZHPUCOSA-N
rxn:2:139383:171478,CCc1ccc(-c2ccc(C(C)NCCCCc3cn(C)cn3)cc2)cc1,SPEOKTFUSLLANG-UHFFFAOYSA-N
rxn:2:144681:170892,CC(NCCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2cc3sccc3s2)s1,BVPRALSCDIYQFQ-UHFFFAOYSA-N
rxn:2:162493:91511,Cc1ccc(-c2cc(C(C)NCC#Cc3ccc4c(=O)[nH]cnc4c3)cs2)o1,WPFKVIDEVDKLOL-UHFFFAOYSA-N
rxn:2:67298:108959,CC(NC1CN(c2cccnn2)C1)c1ccc(-c2cccs2)cc1,KMANAGMJIDTMFD-UHFFFAOYSA-N
rxn:2:73713:170892,CC(NCCCCc1cnc2cc[nH]c2c1)c1ccc(-c2cc3sccc3s2)s1,WLVCUMUQDSNXHP-UHFFFAOYSA-N
rxn:2:95804:110720,CCOc1ccc(C)cc1C(CC)NC1CCc2c[nH]cc2C1,UJNAWMKGKKTYEL-UHFFFAOYSA-N
rxn:2:88326:169594,COCNC(C)c1ccc2c(ccc3ccccc32)c1,VSQPFGKTWJEBMN-UHFFFAOYSA-N
rxn:2:67121:68807,Cc1ccsc1-c1ccc(C(C)Nc2cncnn2)s1,RGCPTLQEDGQUDL-UHFFFAOYSA-N
rxn:2:79984:68636,Cc1csc2ccc(C(C)Nc3ccnnc3)cc12,WOPDWJFKWXKDHD-UHFFFAOYSA-N
rxn:2:122705:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3ccc(-c4nn[nH]n4)cc3)cc2)cs1,WTLFISDFFOKVGX-UHFFFAOYSA-N
rxn:2:97639:127220,Cc1ccc(-c2cc(C(C)NCCCCc3cnoc3)cs2)s1,MFDJZZMTSRFLSY-UHFFFAOYSA-N
rxn:2:73235:96010,CC(NCCCc1nnc(-c2ncc[nH]2)o1)c1ccc(-c2ccsc2)cc1,QIIKSOMHKNFOEY-UHFFFAOYSA-N
rxn:2:66657:169412,Cc1csc(-c2ccc(CCC(C)NC(c3nnn[nH]3)c3ccco3)cc2)c1,CNEWLGKNBNDSTI-UHFFFAOYSA-N
rxn:2:139218:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3cnn(-c4cnccn4)c3)cc2)s1,DIEBADLSRCYMFA-UHFFFAOYSA-N
rxn:2:68737:120822,Cc1ccc(-c2ccc(C(C)NCCC#Cc3cc[nH]n3)cc2)s1,FOXMNZSKNBUNCF-UHFFFAOYSA-N
rxn:2:70238:111147,CC(NCCC#Cc1ccncc1)c1ccc(-c2nccs2)cc1,GWKMWBCLPTXKPT-UHFFFAOYSA-N
rxn:2:80872:170892,CC(NC(C)c1ccc(-c2cc3sccc3s2)s1)c1n[nH]c(=O)o1,WVKWWISIXQPCHN-UHFFFAOYSA-N
rxn:2:123459:108959,CC(NCCCc1ccc2[nH]cnc2c1)c1ccc(-c2cccs2)cc1,KJSPPXXYZWPYCQ-UHFFFAOYSA-N
rxn:2:115801:122855,CC(NCCOc1ccc(-c2ccco2)nn1)c1ccc(-c2cccs2)s1,HYYQSDRAGGXQGF-UHFFFAOYSA-N
rxn:2:148180:107408,CC(NCC1CC1c1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccsc2)s1,AZDYFNHYRDSRAZ-UHFFFAOYSA-N
rxn:2:114522:109025,Cc1csc(-c2cc(C(C)NCCC#Cc3cn(C)cn3)cs2)c1,FRROQDZNGIDZKF-UHFFFAOYSA-N
rxn:2:138457:107408,CC(NCC#Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2ccsc2)s1,DWNNNOZTQSUESS-UHFFFAOYSA-N
rxn:2:92382:120822,Cc1ccc(-c2ccc(C(C)Nc3cn[nH]c3)cc2)s1,CQKQDEXTQSOXSK-UHFFFAOYSA-N
rxn:2:92382:94314,Cc1cccc2c(C(C)Nc3cn[nH]c3)csc12,YIAULDYFIYQTMB-UHFFFAOYSA-N
rxn:2:121028:78538,Cc1ccsc1-c1ccc(C(C)NCCSc2cnccn2)cc1,USANEZNNPOYSOV-UHFFFAOYSA-N
rxn:2:111508:120181,CCCn1cc(C#CCNC(C)c2ccc(-c3ccsn3)cc2)cn1,LPOOSQFXFQGSNU-UHFFFAOYSA-N
rxn:2:117725:124273,CC(NCCC#Cc1ccc(N2CCN(C)CC2)cc1)c1ccc(-c2cnsc2)s1,CWCCZLVSKNCYFU-UHFFFAOYSA-N
rxn:2:122353:97346,CS(=O)(=O)c1cccc(C#CCCNC2CCC(c3ccsc3)CC2)c1,JGLTTXBFNGPKHW-UHFFFAOYSA-N
rxn:2:130225:171648,CC(NCCc1cnco1)c1ccc(-c2ccc3sccc3c2)o1,CBYZVEIMRGRGLF-UHFFFAOYSA-N
rxn:2:74199:120181,CC(NCCC#Cc1cnc2cc[nH]c2c1)c1ccc(-c2ccsn2)cc1,VGGOYXGVNFWUQO-UHFFFAOYSA-N
rxn:2:78535:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2cnc3cn[nH]c3c2)cc1,KTLBCNJQOXZQGQ-UHFFFAOYSA-N
rxn:2:76322:90126,CC(NC1CCN(c2cnsn2)CC1)c1ccc(-c2ccsc2)cn1,DEJYEPIISYXNPQ-UHFFFAOYSA-N
rxn:2:144681:152898,O=c1[nH]c2ccc(C#CCCNC3CCc4cc5ccccc5cc4C3)cc2o1,GZTZTBKGGIKRHS-UHFFFAOYSA-N
rxn:2:122351:155104,CN(C)C(Cc1ccccc1)C(Nc1c[nH]nn1)c1cc2ccccc2o1,YQNDUAMKINKMJU-UHFFFAOYSA-N
rxn:2:137922:173089,CCOc1ncc(C#CCNC(C)c2ccc(-c3cc4sccc4s3)cc2C)cn1,ZPZHCQPTVVPNRL-UHFFFAOYSA-N
rxn:2:137297:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NCCc1c[nH]c2ccsc12,BELISWYWRKUDNI-UHFFFAOYSA-N
rxn:2:73365:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3nncs3)c2)cc1C,CKMXCKBFORBKHD-UHFFFAOYSA-N
rxn:2:123716:169604,CC(NCc1cnoc1)c1ccc(-c2ccc3ncsc3c2)s1,BNLJSETWNREIAL-UHFFFAOYSA-N
rxn:2:133789:169412,Cc1csc(-c2ccc(CCC(C)NCCC(C)c3cnn(C)c3)cc2)c1,PRONLGLZXXQNMT-UHFFFAOYSA-N
rxn:2:141397:170803,CNC(Cc1ccc(-c2ccc(C)nc2)cc1)c1ccccc1,LJKVWLNXRWQUFG-UHFFFAOYSA-N
rxn:2:117731:123403,Cc1ccc2cc(C(C)NCCc3ncn[nH]3)sc2c1,VQTYKNPKRFOVQN-UHFFFAOYSA-N
rxn:2:163272:142183,N=CCNC(Cc1ccc2ccccc2c1)c1cccnc1,KYZMDZPKRGHPFT-UHFFFAOYSA-N
rxn:2:119347:170892,CC(Nc1cnc2ncoc2c1)c1ccc(-c2cc3sccc3s2)s1,FXSFOJSWJGQNGP-UHFFFAOYSA-N
rxn:1:64028:7656,CC(=O)NCc1cn(CC2CC(=O)N(CCO)C2)nn1,KJSNQHVXBDKLSJ-UHFFFAOYSA-N
rxn:2:139383:159800,COc1ccc(-c2ccc(C(C)NCCCCc3cn(C)cn3)cc2)cc1,BYFDLVXCRCWNCK-UHFFFAOYSA-N
rxn:2:155401:142183,N=CCNCC#Cc1ccc2c(c1)[nH]c1ccccc12,RGQWQSXMGSDTRT-UHFFFAOYSA-N
rxn:2:92660:122855,CSCc1ncc(CCNC(C)c2ccc(-c3cccs3)s2)cn1,ZXXQLYPRTMOIQH-UHFFFAOYSA-N
rxn:2:139105:85327,Cc1ccc(-c2cc(C(C)NCCC#Cc3ncc[nH]3)cs2)cc1,FUMRPSDASDSOFX-UHFFFAOYSA-N
rxn:2:134689:94314,Cc1cccc2c(C(C)NCCCC3CCN(C)CC3)csc12,BUYIUXOIKKFOEE-UHFFFAOYSA-N
rxn:2:68410:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCn3nccn3)c2)cc1C,QKFBZGLAWDAUDA-UHFFFAOYSA-N
rxn:2:95319:96010,CC(C)COC1CCCC(NC(C)c2ccc(-c3ccsc3)cc2)C1,VNMYWPDOOGIHEZ-UHFFFAOYSA-N
rxn:2:78032:169594,CC(Nn1cncn1)c1ccc2c(ccc3ccccc32)c1,VSCKDLDXXCDSQJ-UHFFFAOYSA-N
rxn:2:150747:153414,Cc1cc(-c2ccccc2)ccc1C(C)NCC#Cc1ccc2[nH]c(=O)[nH]c2c1,IEIQSTQWTGCLKN-UHFFFAOYSA-N
rxn:2:132373:85686,CC(NCC#Cc1c[nH]cn1)c1csc(-c2cccs2)c1,UKBMXJYENYDTJS-UHFFFAOYSA-N
rxn:2:81194:170482,Cc1ccc2sc(-c3ccc(C(C)NCCCCc4ccc5[nH]c(=O)[nH]c5c4)s3)cc2c1,OZWDQWMSKSLLGY-UHFFFAOYSA-N
rxn:2:133573:173095,Cc1ccc(C#CCCNC(C)c2ccc3sc4ccccc4c3c2)nn1,CHYNMTKETWTIFB-UHFFFAOYSA-N
rxn:2:107938:96514,Cc1nc(-c2cc(C(C)NCCC#Cc3ccc4cc[nH]c4c3)cs2)cs1,ZLAXXHGTSIIEQH-UHFFFAOYSA-N
rxn:2:78535:85686,CC(NCC#Cc1cnc2cn[nH]c2c1)c1csc(-c2cccs2)c1,OPODFWYOLMYHGY-UHFFFAOYSA-N
rxn:2:134689:110041,CC(NCCCC1CCN(C)CC1)c1csc(-c2ccsc2)c1,GXOXBWMMAHJZNX-UHFFFAOYSA-N
rxn:2:138516:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCSCc3nc[nH]c3C)ccc1-2,FHIZIIKVWUGGOV-UHFFFAOYSA-N
rxn:2:150747:160916,O=c1[nH]c2ccc(C#CCNC3CCN(c4ccc5sccc5c4)CC3)cc2[nH]1,RAFUZBOSSGWAGI-UHFFFAOYSA-N
rxn:2:94822:170060,Cc1cc(-c2ccc(CCC(C)NCCCSc3nncn3C)cc2)cs1,KTEGAJDXKFCYJD-UHFFFAOYSA-N
rxn:2:102636:108959,COCCOC1CCC(NC(C)c2ccc(-c3cccs3)cc2)CC1,OYDMQQDMQUOEPT-UHFFFAOYSA-N
rxn:2:93504:114519,Cc1sccc1-c1ccc(C(C)NCCCc2cocn2)cc1,CGEZFRRQSHQWPZ-UHFFFAOYSA-N
rxn:2:110768:141988,Cc1cc(-c2ccc(C(C)NCC#Cc3cnc4[nH]ncc4c3)s2)cs1,VDTXFIDBGHBTEW-UHFFFAOYSA-N
rxn:2:130209:169666,CC(NCCC#Cc1cnccn1)c1cc(-c2ccc(-c3cccnc3)cc2)cs1,BSOPWFVEEQJELS-UHFFFAOYSA-N
rxn:2:84871:126659,Cc1ccc2sc(C(C)NCCC3CC3c3cnccn3)cc2c1,ZTHSGHCAJMZLJL-UHFFFAOYSA-N
rxn:2:97543:169400,CCC(NCCc1nnn[nH]1)c1ccc(-c2ccc(C)s2)cc1C,XMMUDFLKYFRHDZ-UHFFFAOYSA-N
rxn:2:106272:169305,CCc1nc(NC(C)c2ccc(-c3cc4ccccc4o3)cc2C)c[nH]1,KMNOGHKARFUMPV-UHFFFAOYSA-N
rxn:2:74393:170892,CC(NCc1ncno1)c1ccc(-c2cc3sccc3s2)s1,PNOSTWYILVJNEP-UHFFFAOYSA-N
rxn:2:95804:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NC1CCc2c[nH]cc2C1,NSAUYHWJSZZFED-UHFFFAOYSA-N
rxn:2:105485:141988,Cc1cc(-c2ccc(C(C)NCc3ccc(N4CCC(N(C)C)CC4)cc3)s2)cs1,CNYSPXITZSDLDJ-UHFFFAOYSA-N
rxn:2:108320:161103,Cc1ncc(C#CCCNC(C)c2ccc3c(c2)Cc2ccccc2-3)cn1,SDVVKNPPYXKFIG-UHFFFAOYSA-N
rxn:2:127086:169412,Cc1csc(-c2ccc(CCC(C)NCC#Cc3cnc(C)nc3)cc2)c1,WDZORUMWCDQXMJ-UHFFFAOYSA-N
rxn:2:71006:146828,CSCC(Nn1cn[nH]c1=O)c1ccc2cc(C)ccc2c1,CBMJTHMEDKDIMM-UHFFFAOYSA-N
rxn:2:140720:113626,CC(NCC#Cc1csc(Cn2cccn2)c1)c1ccc(-c2cc[nH]c2)s1,IDPSUSUXFULIID-UHFFFAOYSA-N
rxn:2:111045:172265,CO[C@@H]1CCC[C@H](NC(C)c2ccc(-c3ccc(-c4cccs4)s3)s2)C1,MHYURNDSFWBCAV-MERJSTESSA-N
rxn:2:145750:152898,O=c1[nH]c2ccc(C#CCCNC3CCc4cc5ccccc5cc4C3)cc2c(=O)o1,VJHJNSYPJPIOMK-UHFFFAOYSA-N
rxn:2:97024:148477,CC(NCCC#Cc1cscn1)c1ccc2c(c1)CCc1ccccc1-2,IQTKGOICMHFJMY-UHFFFAOYSA-N
rxn:2:131167:170060,CCCn1cnc(CCNC(C)CCc2ccc(-c3csc(C)c3)cc2)c1,PMCAOWPTEFYYPV-UHFFFAOYSA-N
rxn:2:160401:97264,O=c1[nH]c2ncc(C#CCCNC3CC(C#Cc4ccccc4)C3)cc2o1,JBAIMSMFAPAFID-UHFFFAOYSA-N
rxn:2:78939:141195,CCC(NCCn1cnnn1)c1ccc(-c2sccc2C)cc1,BJTZYFFMKXXCNB-UHFFFAOYSA-N
rxn:2:72890:169400,CCC(NCCCCc1c[nH]cn1)c1ccc(-c2ccc(C)s2)cc1C,OGFAXHPRCLJMCU-UHFFFAOYSA-N
rxn:2:138381:170892,CC(NCCOc1cc(N2CCC2)ncn1)c1ccc(-c2cc3sccc3s2)s1,CBWYLQKFDUPIRX-UHFFFAOYSA-N
rxn:2:155314:107408,CC(NCCCCc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccsc2)s1,BTORSHCPNVKIIT-UHFFFAOYSA-N
rxn:2:130970:169412,Cc1csc(-c2ccc(CCC(C)N[C@H]3C[C@@H](CS(C)(=N)=O)C3)cc2)c1,CLFJWGHYANEQDF-UIQCBBHWSA-N
rxn:2:141397:72523,CNC(Cc1cccc(OC)c1)c1cccs1,LOJFSAHEVOXWNI-UHFFFAOYSA-N
rxn:2:130225:123403,Cc1ccc2cc(C(C)NCCc3cnco3)sc2c1,SOPBDJOQWJVOJH-UHFFFAOYSA-N
rxn:2:91798:90126,CC(NCC#Cc1ccc(OCCN(C)C)cc1)c1ccc(-c2ccsc2)cn1,SBYHFTGZUVXUMX-UHFFFAOYSA-N
rxn:2:135573:126659,CSCCC(NC(C)c1cc2cc(C)ccc2s1)c1nnco1,XHQDHFQDEQNEEN-UHFFFAOYSA-N
rxn:2:167169:110041,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1csc(-c2ccsc2)c1,WGJAXITYPITIEK-UHFFFAOYSA-N
rxn:1:63096:3927,CNCCN1CC(Cn2cc([C@]3(O)CCN(C)C3=O)nn2)CC1=O,DWAHTDBAFMJVGW-JOPIAHFSSA-N
rxn:2:150747:129654,Cc1nc(-c2ccsc2)ccc1C(C)NCC#Cc1ccc2[nH]c(=O)[nH]c2c1,RQADBPZNIHAIBX-UHFFFAOYSA-N
rxn:2:140720:85686,CC(NCC#Cc1csc(Cn2cccn2)c1)c1csc(-c2cccs2)c1,XMDPBGZQHMZQMQ-UHFFFAOYSA-N
rxn:2:132002:94314,Cc1cccc2c(C(C)NC3CC(C4CCN(C)CC4)C3)csc12,YYQMKCYXXHRHKY-UHFFFAOYSA-N
rxn:2:120564:127220,Cc1ccc(-c2cc(C(C)NCCCc3nnco3)cs2)s1,LXKPWRNUXCAKKT-UHFFFAOYSA-N
rxn:2:135415:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCCc3c[nH]c(C)n3)ccc1-2,IJWIUGMNLSPTRA-UHFFFAOYSA-N
rxn:2:114191:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NCCCCc1ccc[nH]1,YJKUITUJQUWXBE-UHFFFAOYSA-N
rxn:2:123459:66791,Cc1csc(-c2csc(C(C)NCCCc3ccc4[nH]cnc4c3)c2)c1,FDFNAHSAOFAFBU-UHFFFAOYSA-N
rxn:2:94771:88396,Cc1ccc(C(CN2CCCC2)Nn2cnnc2)c(C)c1,MNYFQDZNUPHVIH-UHFFFAOYSA-N
rxn:2:92382:117186,CC(Nc1cn[nH]c1)c1ccc2sccc2c1,VPVKAYJLYWSXJN-UHFFFAOYSA-N
rxn:2:136139:96010,Cc1nccc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)n1,CSRAHJGECKXCEI-UHFFFAOYSA-N
rxn:2:107651:170858,Cc1csc(-c2ccc(C(C)Nc3cnco3)cc2C)c1,WNHPUEHLOABLQR-UHFFFAOYSA-N
rxn:2:84749:107408,CC(NCC1CC1c1ccc2[nH]cnc2c1)c1ccc(-c2ccsc2)s1,PDFDCCMTKDGNDA-UHFFFAOYSA-N
rxn:2:156072:70270,CC(NCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2ccccc2)nc1,CMUBWICLVPEZBL-UHFFFAOYSA-N
rxn:2:72890:120822,Cc1ccc(-c2ccc(C(C)NCCCCc3c[nH]cn3)cc2)s1,NCMMHDCTEUTAEF-UHFFFAOYSA-N
rxn:2:92382:81125,CC(Nc1cn[nH]c1)c1ccc(-c2ccco2)s1,IAMXSCJHWLNQEQ-UHFFFAOYSA-N
rxn:2:156072:108959,CC(NCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2cccs2)cc1,ZTWFKWCTPUWVBB-UHFFFAOYSA-N
rxn:2:113822:170060,Cc1ccc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)nn1,NWKXZBIEHCIXTB-UHFFFAOYSA-N
rxn:2:99558:170892,COc1ccc(CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)nn1,WPBLSOCVOTZTIW-UHFFFAOYSA-N
rxn:2:145750:107408,CC(NCCC#Cc1ccc2[nH]c(=O)oc(=O)c2c1)c1ccc(-c2ccsc2)s1,VHIFNJUSSXWASN-UHFFFAOYSA-N
rxn:2:100097:123403,Cc1ccc2cc(C(C)NC3CCC(CCN(C)C)CC3)sc2c1,RKZQZDCIBIQQGS-UHFFFAOYSA-N
rxn:2:147271:112875,O=c1[nH]c2ccc(CCCNC3CC(C#Cc4cccs4)C3)cc2c(=O)o1,JJUKXWHBFWOIRK-UHFFFAOYSA-N
rxn:2:128763:92488,CC(NCC1CC1c1ccc(-c2nn[nH]n2)cc1)c1cc(-c2ccsc2)cs1,JGUCZUSMVPQYOC-UHFFFAOYSA-N
rxn:2:124198:153414,Cc1cc(-c2ccccc2)ccc1C(C)NCCC#Cc1ccsc1,YOSLTQKJWKNJSY-UHFFFAOYSA-N
rxn:2:108887:173095,CC(Nc1nc(=O)cn[nH]1)c1ccc2sc3ccccc3c2c1,QPORNLBYRGLMIR-UHFFFAOYSA-N
rxn:2:82511:120181,CC(NCCC#Cc1ccc2[nH]cnc2c1)c1ccc(-c2ccsn2)cc1,OMWWDAMLRNNOJL-UHFFFAOYSA-N
rxn:2:125874:142724,COc1ccc2cc(CCC(C)NCCCc3ccc4[nH]c(=O)sc4c3)ccc2c1,OSIXVVLXELWMGT-UHFFFAOYSA-N
rxn:2:113426:110334,Cc1ccc2cc(C(C)NCc3ccc(-c4ccc(=O)[nH]n4)cc3)ccc2c1,WHJLLOJRUSKYKH-UHFFFAOYSA-N
rxn:2:132071:129654,Cc1nc(-c2ccsc2)ccc1C(C)NCCC1CC1c1cscn1,KNQUIZNFVOXOBO-UHFFFAOYSA-N
rxn:2:97024:78538,Cc1ccsc1-c1ccc(C(C)NCCC#Cc2cscn2)cc1,BMXRICUNSUDRFB-UHFFFAOYSA-N
rxn:2:93721:70192,Cc1ccc(OCCC(C)NCc2ccccn2)c(C)c1,SZHLNPFOSNKFQA-UHFFFAOYSA-N
rxn:2:70440:92488,COc1ncc(CCCNC(C)c2cc(-c3ccsc3)cs2)cn1,STZURDDOFCDODH-UHFFFAOYSA-N
rxn:2:141397:109025,CNC(C)c1csc(-c2cc(C)cs2)c1,LUIPSICUDGWDMS-UHFFFAOYSA-N
rxn:2:73365:170668,CC(NCCCc1nncs1)c1csc(-c2ccc(-c3ccco3)cc2)c1,ILVWXFNGBYCUAY-UHFFFAOYSA-N
rxn:2:141397:138958,CNC1CC(C#Cc2cn[nH]c2)C1,ZRGQQFXEAAWMDU-UHFFFAOYSA-N
rxn:2:156072:120038,CC(NCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2ccncc2)cc1,LHJKMWCYVMBECU-UHFFFAOYSA-N
rxn:2:72583:102419,CCCC(Cc1ccc2ccccc2c1)NCCCc1[nH]cnc1C,XQBYRPUUIDLESL-UHFFFAOYSA-N
rxn:2:86397:170411,CCSc1ccc(-c2ccc(C(C)NCCCc3c[nH]c(C)n3)c(C)c2)cc1,LSRLTHCPUGDWOK-UHFFFAOYSA-N
rxn:2:95308:141889,Cc1cccc(C2CCC(NCC#Cc3cnc4[nH]ccc4c3)CC2)c1,FJVRDUIRNDDJQP-UHFFFAOYSA-N
rxn:2:142622:169604,CC(NCCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccc3ncsc3c2)s1,NTHMIPBECRMQJS-UHFFFAOYSA-N
rxn:2:73576:96010,CC(NCCCc1c[nH][nH]c1=O)c1ccc(-c2ccsc2)cc1,XWDVQERETFZTST-UHFFFAOYSA-N
rxn:2:137743:95801,Cc1cc(C(C)NCCCCc2ccsc2)ccc1-c1cc[nH]c1,PSROLQMJCUCIJY-UHFFFAOYSA-N
rxn:2:97063:169412,Cc1csc(-c2ccc(CCC(C)NCCSc3cnn[nH]3)cc2)c1,ZAROTIOPOAKNHM-UHFFFAOYSA-N
rxn:2:107415:108959,COCCO[C@H]1CC[C@H](NC(C)c2ccc(-c3cccs3)cc2)CC1,OYDMQQDMQUOEPT-VBHDRNNKSA-N
rxn:2:128024:169810,COc1ccc2oc(-c3ccc(C(C)NCCCS(C)(=O)=O)c(C)c3)cc2c1,GXCCNXHORHAMSK-UHFFFAOYSA-N
rxn:2:83460:141195,CCC(NC(CC)c1nnn[nH]1)c1ccc(-c2sccc2C)cc1,SSVOMZAWPOBKMG-UHFFFAOYSA-N
rxn:2:74199:110334,Cc1ccc2cc(C(C)NCCC#Cc3cnc4cc[nH]c4c3)ccc2c1,YHWJFGYGZHRVRD-UHFFFAOYSA-N
rxn:2:101439:127220,COc1cnc(C#CCNC(C)c2csc(-c3ccc(C)s3)c2)nc1,CASYKRKGUWZZNJ-UHFFFAOYSA-N
rxn:1:41904:2836,NC1CC1c1ccc(-c2cn(CC#Cc3ccsc3)nn2)cc1,ZSUYOCZUZSDGEC-UHFFFAOYSA-N
rxn:2:87382:142136,Cc1ccc2c(c1)CC(NC(C)Cc1ccon1)CC2,BMWZXFMKPLBVRH-UHFFFAOYSA-N
rxn:2:108320:139176,Cc1ncc(C#CCCNC(C)c2ccc(-c3sccc3C)cn2)cn1,UAODFFSBUOTZFV-UHFFFAOYSA-N
rxn:2:167169:117734,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccccn2)cc1,OPAQIBDJHFJVFH-UHFFFAOYSA-N
rxn:2:112208:155734,COc1ccc(-c2csc(C(C)NCCSCc3cnccn3)c2)c(C)c1,BUKBLAQCIFGLAU-UHFFFAOYSA-N
rxn:2:111508:170892,CCCn1cc(C#CCNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,BCFQLQSFZKZEKD-UHFFFAOYSA-N
rxn:2:133573:107408,Cc1ccc(C#CCCNC(C)c2ccc(-c3ccsc3)s2)nn1,VRUPZYXGFVGWLE-UHFFFAOYSA-N
rxn:2:133978:165512,Cc1ccsc1-c1ccc2c(c1)CCC2NCCCc1nc[nH]n1,MEHZUDSLCYAOOR-UHFFFAOYSA-N
rxn:2:92934:127220,Cc1ccc(-c2cc(C(C)NCC#Cc3ccc4[nH]nnc4c3)cs2)s1,RXCZNAKBJLTYDI-UHFFFAOYSA-N
rxn:2:82511:139886,CC(NCCC#Cc1ccc2[nH]cnc2c1)c1ccc(-c2ccco2)cc1,ODLPWTSFCRYDCF-UHFFFAOYSA-N
rxn:2:162493:87151,Cc1cccc(C2CC(NCC#Cc3ccc4c(=O)[nH]cnc4c3)C2)c1C,GWHFQIHOZZUCRA-UHFFFAOYSA-N
rxn:2:91798:124273,CC(NCC#Cc1ccc(OCCN(C)C)cc1)c1ccc(-c2cnsc2)s1,LSOZZPHDSVWOPE-UHFFFAOYSA-N
rxn:1:61649:18255,Cc1ccc(OCc2cn(C[C@H](O)c3cccc(Br)c3)nn2)cc1,NPYRHEKBXLENGR-SFHVURJKSA-N
rxn:2:139602:122855,CC(NCCCc1cnn(-c2cnccn2)c1)c1ccc(-c2cccs2)s1,XMWKWCPRYDHTDD-UHFFFAOYSA-N
rxn:2:132440:107408,CC(NCC#Cc1cc(N(C)C)ncn1)c1ccc(-c2ccsc2)s1,DNGJWXVFYWDQKG-UHFFFAOYSA-N
rxn:2:98144:67686,COc1cccc(C(CN2CC2)NC2CC3CCC32)c1,MBHNCPYJHPXBLG-UHFFFAOYSA-N
rxn:2:120356:120181,Cc1nc(C#CCCNC(C)c2ccc(-c3ccsn3)cc2)c[nH]1,GXGSXCQHJLZYOK-UHFFFAOYSA-N
rxn:2:95063:170892,CC(NCCSCc1ccno1)c1ccc(-c2cc3sccc3s2)s1,VYUDHTVXYNRQMG-UHFFFAOYSA-N
rxn:2:70104:123403,Cc1ccc2cc(C(C)NCCC(C)(C)CC3CCCN(C)C3)sc2c1,MUHOXUAKBUPVDT-UHFFFAOYSA-N
rxn:2:68525:141988,COCc1cc(C#CCNC(C)c2ccc(-c3csc(C)c3)s2)cs1,WTHYBILVIWVOMC-UHFFFAOYSA-N
rxn:2:98084:96010,Cc1n[nH]cc1C#CCCNC(C)c1ccc(-c2ccsc2)cc1,CVZFGEUABMJEKQ-UHFFFAOYSA-N
rxn:2:118433:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3ncc[nH]3)c2)cc1C,QDBSFITYCFJLEF-UHFFFAOYSA-N
rxn:2:120365:95801,Cc1cc(C(C)NCCC#Cc2ccoc2)ccc1-c1cc[nH]c1,LSAIFQLPNLRMNF-UHFFFAOYSA-N
rxn:2:137922:172618,CCOc1ncc(C#CCNC(C)c2cc(-c3cc4sccc4s3)cs2)cn1,YHUXRHGCJQQPMD-UHFFFAOYSA-N
rxn:2:97900:78538,Cc1ccsc1-c1ccc(C(C)Nc2n[nH]c3[nH]ncc23)cc1,ZOCCRGUIZALTHY-UHFFFAOYSA-N
rxn:2:97639:96010,CC(NCCCCc1cnoc1)c1ccc(-c2ccsc2)cc1,FQTYTBQPKNQVHV-UHFFFAOYSA-N
rxn:2:122353:120181,CC(NCCC#Cc1cccc(S(C)(=O)=O)c1)c1ccc(-c2ccsn2)cc1,AUMHNLXCZLGEFJ-UHFFFAOYSA-N
rxn:2:74199:173095,CC(NCCC#Cc1cnc2cc[nH]c2c1)c1ccc2sc3ccccc3c2c1,KBSFKCQIIHIOQY-UHFFFAOYSA-N
rxn:2:66358:169810,COc1ccc2oc(-c3ccc(C(C)NCCCCc4ccn[nH]4)c(C)c3)cc2c1,LBRQEWNQKDGBCG-UHFFFAOYSA-N
rxn:2:137816:139886,CSc1ncc(C#CCNC(C)c2ccc(-c3ccco3)cc2)cn1,ZMNRHYAYVQESAW-UHFFFAOYSA-N
rxn:2:70925:127220,Cc1ccc(-c2cc(C(C)NCCC3CC3c3ccc[nH]3)cs2)s1,WKMLDKDXSGRMNM-UHFFFAOYSA-N
rxn:2:76322:169412,Cc1csc(-c2ccc(CCC(C)NC3CCN(c4cnsn4)CC3)cc2)c1,WNVPBJOOIWKVAL-UHFFFAOYSA-N
rxn:2:163554:142183,CCCC(NCC=N)c1ccc2c3c(cccc13)CC2,SVXVCBZZCVHABS-UHFFFAOYSA-N
rxn:2:73713:110334,Cc1ccc2cc(C(C)NCCCCc3cnc4cc[nH]c4c3)ccc2c1,BCRFLRPVUHKYMJ-UHFFFAOYSA-N
rxn:2:139218:127220,Cc1ccc(-c2cc(C(C)NCC#Cc3cnn(-c4cnccn4)c3)cs2)s1,NQICZAQLYBGLKO-UHFFFAOYSA-N
rxn:2:89103:76221,Cc1ccc(CN2CCC(N[C@H]3CC[C@H](N4CCN(C(C)C)CC4)CC3)CC2)cc1,RMTSNMBVYDCZHF-YOCNBXQISA-N
rxn:2:97858:78538,Cc1ccsc1-c1ccc(C(C)NCCc2cnc[nH]2)cc1,LNXRJDGSCMBRMT-UHFFFAOYSA-N
rxn:2:85387:170060,CCCS(=O)(=O)C1CCCC(NC(C)CCc2ccc(-c3csc(C)c3)cc2)C1,OHVFIXWKJIUILF-UHFFFAOYSA-N
rxn:2:66658:156984,COc1csc(-c2ccc(C(C)NCCC#Cc3cnoc3)c(C)c2)c1,NDGZAUUOPMUIMN-UHFFFAOYSA-N
rxn:2:163783:70831,C[C@H](NC1CCC(CCOS(C)(=O)=O)C1)c1ccc2c(c1)Cc1ccccc1-2,RHCHHIWYCGWOSN-BQJIDLTASA-N
rxn:2:103216:170060,Cc1cc(-c2ccc(CCC(C)NC[C@@H]3CC[C@@H]3c3cnn[nH]3)cc2)cs1,AONASHKJYQNVQJ-XHRKEWCOSA-N
rxn:2:124571:120822,Cc1ccc(-c2ccc(C(C)NCCCCN3CCN(C)CC3)cc2)s1,TVPGUECTDJVZQG-UHFFFAOYSA-N
rxn:2:146036:156984,COc1csc(-c2ccc(C(C)NCC3CC3c3ccc4[nH]c(=O)[nH]c4c3)c(C)c2)c1,NVTXGSQISNUJCF-UHFFFAOYSA-N
rxn:1:45225:23328,O=C(Cl)c1cn(CCC#Cc2cc(Cl)ccc2Br)nn1,RFEXJNATIYJXAU-UHFFFAOYSA-N
rxn:2:74377:102373,Cc1ccc(C#CCCNC2CC(c3ccc(C)s3)C2)s1,JBUYYAWDUYKFTC-UHFFFAOYSA-N
rxn:2:81292:67686,COc1cccc(C(CN2CC2)NCCC(C)F)c1,WFMAQEADLIKFFC-UHFFFAOYSA-N
rxn:2:106136:96010,CCn1cc(C#CCCNC(C)c2ccc(-c3ccsc3)cc2)cn1,UYYGSMIEKFVAQM-UHFFFAOYSA-N
rxn:2:135915:170858,Cc1csc(-c2ccc(C(C)NCCC3CC3c3[nH]cnc3C)cc2C)c1,VEEGSQUHLNNOCO-UHFFFAOYSA-N
rxn:2:136797:169412,Cc1csc(-c2ccc(CCC(C)NCC(C)Cc3nnns3)cc2)c1,QOBNRMPTEFKPTC-UHFFFAOYSA-N
rxn:2:72890:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCCc3c[nH]cn3)c2)cc1C,MYVCXRAZSCNUDS-UHFFFAOYSA-N
rxn:2:107531:129880,Cc1nc(-c2cccs2)ccc1C(C)NCc1nn[nH]n1,VPTDQDYFGZBIKO-UHFFFAOYSA-N
rxn:1:64017:31088,CCN1CCC(O)(c2cn(CC3CC(=O)N(CCN)C3)nn2)C1=O,UFCOAJMKMRDMAZ-UHFFFAOYSA-N
rxn:2:156072:171392,O=c1[nH]c2ccc(C#CCNC3CCC(c4csc5ccccc45)CC3)cc2o1,HOGKQWKQJBRVII-UHFFFAOYSA-N
rxn:2:124637:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCCc3ccncc3)ccc1-2,QCLXNQUTIPELET-UHFFFAOYSA-N
rxn:2:152434:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ccc3[nH]c(=O)oc(=O)c3c2)cc1,LQIDCBKURMONMY-UHFFFAOYSA-N
rxn:2:73235:108959,CC(NCCCc1nnc(-c2ncc[nH]2)o1)c1ccc(-c2cccs2)cc1,RUWZMMVNKUXXQV-UHFFFAOYSA-N
rxn:2:69022:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCCCc1ncc[nH]1,SFSXFLDRFLJGNN-UHFFFAOYSA-N
rxn:2:167169:129572,Cc1ccc(-c2cnc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)s2)cc1,AGBPGINQCSEOPG-UHFFFAOYSA-N
rxn:2:67380:108959,CC(NC1CCC2(CC1)CCN(C)CC2)c1ccc(-c2cccs2)cc1,KYQGBFCJVXSSTR-UHFFFAOYSA-N
rxn:2:97063:107408,CC(NCCSc1cnn[nH]1)c1ccc(-c2ccsc2)s1,XPOGRXQCVRURBT-UHFFFAOYSA-N
rxn:2:110222:159692,O=c1[nH]c2ncc(CCCNC3CCc4cc(-c5cccs5)ccc43)cc2o1,AQNDZOZCRSVDPI-UHFFFAOYSA-N
rxn:2:108320:123403,Cc1ccc2cc(C(C)NCCC#Cc3cnc(C)nc3)sc2c1,WXURRIFOVXSRTN-UHFFFAOYSA-N
rxn:2:76625:172618,CC(NCCC#Cc1cnc[nH]1)c1cc(-c2cc3sccc3s2)cs1,NHKJNZCDMFHEDK-UHFFFAOYSA-N
rxn:2:73713:123403,Cc1ccc2cc(C(C)NCCCCc3cnc4cc[nH]c4c3)sc2c1,CMPQBBCJNWYCEX-UHFFFAOYSA-N
rxn:2:70411:116515,CC(NCC1CC1c1cnc2cc[nH]c2c1)c1ccc(-c2cccs2)nc1,KHPAFCDPVPFZJC-UHFFFAOYSA-N
rxn:2:108169:170892,CC(NCC#Cc1nccs1)c1ccc(-c2cc3sccc3s2)s1,SPXYRFYSQZMFPE-UHFFFAOYSA-N
rxn:2:78571:70192,Cc1ccc(OCCC(C)Nc2cc[nH]c(=S)c2)c(C)c1,GMWZEAJZPQUWMD-UHFFFAOYSA-N
rxn:2:101439:153414,COc1cnc(C#CCNC(C)c2ccc(-c3ccccc3)cc2C)nc1,REIRGPMUHQWGQB-UHFFFAOYSA-N
rxn:2:113426:122855,CC(NCc1ccc(-c2ccc(=O)[nH]n2)cc1)c1ccc(-c2cccs2)s1,YVESIDIIMOKNAM-UHFFFAOYSA-N
rxn:2:69444:83197,CN1CCN(c2ccc(CCNC3CCC(Sc4cccs4)CC3)cc2)CC1,GMKRYDJEDSFYFD-UHFFFAOYSA-N
rxn:2:129600:169412,COc1ncc(C2CC2CNC(C)CCc2ccc(-c3cc(C)cs3)cc2)cn1,KMMUBTOZXZWWCX-UHFFFAOYSA-N
rxn:2:130128:169821,CC(Nc1cnsc1)c1ccc2cc3ccccc3cc2c1,IAVCAADFTFZOLK-UHFFFAOYSA-N
rxn:2:105108:172618,CC(NCCCc1nc(-c2cnccn2)no1)c1cc(-c2cc3sccc3s2)cs1,ZTBJTFZSLAYZIY-UHFFFAOYSA-N
rxn:2:104011:88952,CC(CCCCc1cccs1)NCC#Cc1ccc(N2CCN(C)CC2)cc1,GKNFICKJULLHBG-UHFFFAOYSA-N
rxn:2:105108:107408,CC(NCCCc1nc(-c2cnccn2)no1)c1ccc(-c2ccsc2)s1,NHFXQQKENIIWPO-UHFFFAOYSA-N
rxn:2:167169:89838,Cc1nc2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)cc2s1,RBQGLEMXUCCZLN-UHFFFAOYSA-N
rxn:2:128114:169412,Cc1csc(-c2ccc(CCC(C)NCCCSc3cc(C)ncn3)cc2)c1,LPRUOFITEBXFKA-UHFFFAOYSA-N
rxn:2:141397:172697,CCCCC(NC)c1c[nH]c2c(CC)cccc12,DABJRMPTJVBLFY-UHFFFAOYSA-N
rxn:2:110478:169400,CCC(NC(C)c1nnn[nH]1)c1ccc(-c2ccc(C)s2)cc1C,WRERSAXZVNMJNB-UHFFFAOYSA-N
rxn:2:162493:142192,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2cccs2)cn1,FLYHRHDGRFCRAN-UHFFFAOYSA-N
rxn:2:114506:169594,CC(Nc1cc(=O)[nH][nH]1)c1ccc2c(ccc3ccccc32)c1,QORAUFIITBTXRF-UHFFFAOYSA-N
rxn:2:104080:142183,CCCCC(NCC=N)c1cccc2ccccc12,RYSAIMGJPRGFIV-UHFFFAOYSA-N
rxn:2:78032:146828,CSCC(Nn1cncn1)c1ccc2cc(C)ccc2c1,QDTVLEVTZRJSEZ-UHFFFAOYSA-N
rxn:2:162493:67655,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2ccccc2)cc1,YLDGWINAGAYBHX-UHFFFAOYSA-N
rxn:2:110352:143819,CCNC(c1ccccc1)c1cnc2ccccc2c1,QGDASFFYYKBSIF-UHFFFAOYSA-N
rxn:2:160800:72767,COc1ccc(C2CCC(NCCC#Cc3ccc4nc[nH]c(=O)c4c3)CC2)cc1,DJOICCUTSLDVDP-UHFFFAOYSA-N
rxn:2:113171:173016,CC(NCCCc1cnn[nH]1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,HAZNJNKHNVIMKX-UHFFFAOYSA-N
rxn:2:66303:170060,Cc1cc(-c2ccc(CCC(C)NCC3CCCc4cn[nH]c4C3)cc2)cs1,GMZSTHKZXFGLQP-UHFFFAOYSA-N
rxn:2:167592:171392,O=c1[nH]c2ncc(C#CCNC3CCC(c4csc5ccccc45)CC3)cc2o1,UWXJVVSEURJCNQ-UHFFFAOYSA-N
rxn:2:167169:84225,CCc1ccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)s2)s1,NJBKTOGFRARXAC-UHFFFAOYSA-N
rxn:2:127204:170411,CCSc1ccc(-c2ccc(C(C)NCCCOS(C)(=O)=O)c(C)c2)cc1,RZVNXSGUBCZZHS-UHFFFAOYSA-N
rxn:2:108186:148477,CC(NCCCCc1cnc2nc[nH]c2c1)c1ccc2c(c1)CCc1ccccc1-2,FSDXGJWZKODRHA-UHFFFAOYSA-N
rxn:2:122923:171933,CCOc1ccc(-c2ccc(C(C)NCCCc3ccc4[nH]c(=O)[nH]c4c3)s2)cc1,QXMSPLDNSXKGOL-UHFFFAOYSA-N
rxn:2:70962:169412,Cc1csc(-c2ccc(CCC(C)NCC3CC3c3cn[nH]c3C)cc2)c1,MNUKFCPMCFOJOV-UHFFFAOYSA-N
rxn:2:124805:169412,Cc1csc(-c2ccc(CCC(C)N[C@H]3C[C@H](CS(C)(=N)=O)C3)cc2)c1,CLFJWGHYANEQDF-WHNNMYJESA-N
rxn:2:166241:85686,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1csc(-c2cccs2)c1,CCYRADCDFSPLKR-UHFFFAOYSA-N
rxn:2:120564:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCc3nnco3)ccc1-2,JHDFDNLPIFEXLE-UHFFFAOYSA-N
rxn:2:145188:143698,O=c1[nH]cnc2cc(C#CCCNC3CC(c4ccc5ccccc5c4)C3)ccc12,GQOIHHZAZSEGHG-UHFFFAOYSA-N
rxn:2:72543:142183,Cc1cc(C)c2c(c1)SCCN2CC(C)NCC=N,NMPJHVSKZDXCDT-UHFFFAOYSA-N
rxn:2:122705:171669,Cc1cc(-c2ccc(C(C)NCCCc3ccc(-c4nn[nH]n4)cc3)cc2)c(C)s1,SZDXKGMSCSBXRK-UHFFFAOYSA-N
rxn:2:141397:170813,CCC(NC)c1ccc(-c2cc3cc(OC)ccc3o2)cc1,SAKNBVQSPMUZIU-UHFFFAOYSA-N
rxn:2:129767:68807,Cc1ccsc1-c1ccc(C(C)NCCOC2CCC(N(C)C)CC2)s1,ITMUQZFGYOHEDM-UHFFFAOYSA-N
rxn:2:117045:172618,CC(NCC#Cc1cc[nH]n1)c1cc(-c2cc3sccc3s2)cs1,ABNLKNOOCCUTDH-UHFFFAOYSA-N
rxn:2:139218:142192,CC(NCC#Cc1cnn(-c2cnccn2)c1)c1ccc(-c2cccs2)cn1,SCKBTGWVYSVOJB-UHFFFAOYSA-N
rxn:2:124792:109025,Cc1csc(-c2cc(C(C)NCc3ccn[nH]3)cs2)c1,OLXJFFISGOKPKD-UHFFFAOYSA-N
rxn:2:136508:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCCc3nc[nH]n3)c2)cc1C,HLMJUKRGORNKPE-UHFFFAOYSA-N
rxn:2:94948:142183,Cc1cc(C)c(OC[C@@H](NCC=N)C(C)C)cc1C,PZNXWTPNQZNUTB-OAHLLOKOSA-N
rxn:2:150747:91511,Cc1ccc(-c2cc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)cs2)o1,AFVVMVWMLFQRPS-UHFFFAOYSA-N
rxn:2:125549:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3cccnc3)cc2)cs1,SQMRQXTURQJJLX-UHFFFAOYSA-N
rxn:2:66657:170060,Cc1cc(-c2ccc(CCC(C)NC(c3nnn[nH]3)c3ccco3)cc2)cs1,WAYLOBUMKSLHAI-UHFFFAOYSA-N
rxn:2:115801:85686,CC(NCCOc1ccc(-c2ccco2)nn1)c1csc(-c2cccs2)c1,XAEPRBAFKNCWAY-UHFFFAOYSA-N
rxn:2:83170:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3ccncn3)cc2)cs1,YQSQCXVAKSWXOD-UHFFFAOYSA-N
rxn:2:79894:170892,CC(NCC#Cc1ccc(C2CC2)nn1)c1ccc(-c2cc3sccc3s2)s1,QNCQRJNQUASKFR-UHFFFAOYSA-N
rxn:2:101439:109025,COc1cnc(C#CCNC(C)c2csc(-c3cc(C)cs3)c2)nc1,MFSKUBKXUNTDKV-UHFFFAOYSA-N
rxn:2:74139:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCc3csnn3)ccc1-2,VAUFOWLTRHJCLF-UHFFFAOYSA-N
rxn:2:122353:76379,CC(NCCC#Cc1cccc(S(C)(=O)=O)c1)c1ccc(-c2cscn2)cc1,ABJZQFXUGMLIRD-UHFFFAOYSA-N
rxn:2:110352:70192,CCNC(C)CCOc1ccc(C)cc1C,QUOFHDBQFPCJNH-UHFFFAOYSA-N
rxn:2:106758:71566,CCCCOC1CCC(N[C@@H](C)c2ccc(-c3cccs3)cc2)CC1,MVBGCNHCDZHDAH-RPCJCACASA-N
rxn:2:77440:148477,CC(Nc1cnon1)c1ccc2c(c1)CCc1ccccc1-2,SEEWWEIVEJLQOE-UHFFFAOYSA-N
rxn:2:167169:111217,CCc1nc2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)cc2s1,NYJSTDRIGOQZPM-UHFFFAOYSA-N
rxn:2:110097:88396,Cc1ccc(C(CN2CCCC2)Nc2ncn[nH]2)c(C)c1,IVROWQRJUCAQHD-UHFFFAOYSA-N
rxn:2:78444:170060,CCn1cc(OCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)cn1,MTCSCGLRHHDHIC-UHFFFAOYSA-N
rxn:2:83460:91563,CCC(NC(C)c1ccc(-c2ccco2)cc1C)c1nnn[nH]1,BKOKFOXQUSGIKI-UHFFFAOYSA-N
rxn:2:67299:67686,COc1cccc(C(CN2CC2)Nc2ccc(C)nc2OC)c1,XIYXPTISTZGFRP-UHFFFAOYSA-N
rxn:2:138457:109025,Cc1csc(-c2cc(C(C)NCC#Cc3ccc(-c4nn[nH]n4)cc3)cs2)c1,JBFWYLFDWVRJKC-UHFFFAOYSA-N
rxn:2:125962:114048,C[C@@H](NC1CCC(COS(C)(=O)=O)CC1)c1ccc(-c2cccs2)cc1,MZFLQSWFCFDAES-MDCZIUGASA-N
rxn:2:82049:85686,CC(NC[C@H]1CC[C@H](CN(C)C)CC1)c1csc(-c2cccs2)c1,XVQZVPUOVNOQKI-ATBAIXNZSA-N
rxn:2:82511:172618,CC(NCCC#Cc1ccc2[nH]cnc2c1)c1cc(-c2cc3sccc3s2)cs1,TUGHQNIPBQYEPP-UHFFFAOYSA-N
rxn:2:167169:169300,Cc1ccc(-c2ccc3oc(C(C)NCC#Cc4ccc5[nH]c(=O)sc5c4)cc3c2)s1,QDKLLHULMHYDKC-UHFFFAOYSA-N
rxn:2:116316:107408,Cc1[nH]ncc1C1CC1CCNC(C)c1ccc(-c2ccsc2)s1,XUGIVUROMKKKGQ-UHFFFAOYSA-N
rxn:2:73951:173095,CC(Nc1cn[nH]c(=O)c1)c1ccc2sc3ccccc3c2c1,VVOBGJRSBZFPAW-UHFFFAOYSA-N
rxn:2:109895:170060,Cc1cc(-c2ccc(CCC(C)NCCC3CC3c3nccn3C)cc2)cs1,WJMHLHNSBOUAJK-UHFFFAOYSA-N
rxn:2:112208:78538,Cc1ccsc1-c1ccc(C(C)NCCSCc2cnccn2)cc1,WWIGPFITBJICAN-UHFFFAOYSA-N
rxn:2:76360:172032,Cc1ccc(-c2ccc(C(C)NCCCc3n[nH]nc3C)cc2)c(C)c1,TUAOGVARWCYDPP-UHFFFAOYSA-N
rxn:2:114213:156697,O=c1[nH][nH]cc1NC(c1ccc2ccccc2c1)C1CC1,WWUQLQKCTAPGGL-UHFFFAOYSA-N
rxn:2:115282:146828,CSCC(Nc1cnnnn1)c1ccc2cc(C)ccc2c1,CTRCUSKMCLEESA-UHFFFAOYSA-N
rxn:2:97900:140099,CCC(Nc1n[nH]c2[nH]ncc12)c1ccc(-c2cccs2)s1,PXCMBRKEFDBKAM-UHFFFAOYSA-N
rxn:2:72789:170892,CC(NCCCCc1cnc2cn[nH]c2c1)c1ccc(-c2cc3sccc3s2)s1,TWCFLPUSTRIZDH-UHFFFAOYSA-N
rxn:2:131733:82123,CCC(NCc1nc(=N)[nH][nH]1)C(C)Cc1ccc(C)cc1C,XXLTYGGLTHAWGU-UHFFFAOYSA-N
rxn:2:125874:96010,CC(NCCCc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccsc2)cc1,COWCEWLKNOUKRL-UHFFFAOYSA-N
rxn:2:81194:108784,COc1ccc(-c2ccc(C(C)NCCCCc3ccc4[nH]c(=O)[nH]c4c3)s2)cc1,WIGPSCAUEPIYAM-UHFFFAOYSA-N
rxn:2:104011:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3ccc(N4CCN(C)CC4)cc3)cc2)s1,ZNXOOOWOHQEMBP-UHFFFAOYSA-N
rxn:2:142033:172397,CONC(c1ccccc1)c1ccc2c(c1)Cc1ccccc1-2,BWHHPORONXTNNM-UHFFFAOYSA-N
rxn:2:101439:156984,COc1cnc(C#CCNC(C)c2ccc(-c3cc(OC)cs3)cc2C)nc1,QLIOORJWYDQRHS-UHFFFAOYSA-N
rxn:2:125751:150277,COc1csc(-c2ccc(CCC(C)NCC#Cc3cscn3)cc2)c1,YUQXPRRSYHKXST-UHFFFAOYSA-N
rxn:2:130209:108959,CC(NCCC#Cc1cnccn1)c1ccc(-c2cccs2)cc1,MOGLIYYERRYTGL-UHFFFAOYSA-N
rxn:2:140720:126659,Cc1ccc2sc(C(C)NCC#Cc3csc(Cn4cccn4)c3)cc2c1,VUARJXVPELFGBS-UHFFFAOYSA-N
rxn:2:106642:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCCc1ccnnc1,XFMIHBMHRNHMQQ-UHFFFAOYSA-N
rxn:2:133437:142183,COc1ccc2c(c1)CC(C)C2C(C)NCC=N,MHRSDLGEHYOEPF-UHFFFAOYSA-N
rxn:2:137524:94314,Cc1cccc2c(C(C)NC[C@H]3CC[C@H](CN4CCC4)CC3)csc12,SDCINNUXSPFJQI-YIQCUVMYSA-N
rxn:2:132998:172618,CC(NCc1ccc(-c2ccc(=O)[nH]c2)cc1)c1cc(-c2cc3sccc3s2)cs1,ICPOPRSHGTVAPQ-UHFFFAOYSA-N
rxn:2:156072:96514,Cc1nc(-c2cc(C(C)NCC#Cc3ccc4[nH]c(=O)oc4c3)cs2)cs1,PZDVIQJNWFPBQD-UHFFFAOYSA-N
rxn:2:124198:139886,CC(NCCC#Cc1ccsc1)c1ccc(-c2ccco2)cc1,HADIMCVWWHGFNB-UHFFFAOYSA-N
rxn:2:148180:126659,Cc1ccc2sc(C(C)NCC3CC3c3ccc4[nH]c(=O)sc4c3)cc2c1,AJJPRQCIEARNJA-UHFFFAOYSA-N
rxn:2:108186:156984,COc1csc(-c2ccc(C(C)NCCCCc3cnc4nc[nH]c4c3)c(C)c2)c1,RCMGKMWKLDNXAD-UHFFFAOYSA-N
rxn:2:97639:68807,Cc1ccsc1-c1ccc(C(C)NCCCCc2cnoc2)s1,WBYIRFPRNCJPCP-UHFFFAOYSA-N
rxn:2:74199:66791,Cc1csc(-c2csc(C(C)NCCC#Cc3cnc4cc[nH]c4c3)c2)c1,IESDDCJWQWTRNL-UHFFFAOYSA-N
rxn:2:104781:170892,COc1cc(CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)on1,IDVYVAZRDQTQNP-UHFFFAOYSA-N
rxn:2:97543:170060,Cc1cc(-c2ccc(CCC(C)NCCc3nnn[nH]3)cc2)cs1,HQODJAIPCARRHY-UHFFFAOYSA-N
rxn:2:141544:85686,CC(NCCSc1ncn[nH]1)c1csc(-c2cccs2)c1,KKCPEMWQBGIMEC-UHFFFAOYSA-N
rxn:2:99080:90126,CCn1cc(C#CCNC(C)c2ccc(-c3ccsc3)cn2)cn1,BBQYRGNWKKVUAM-UHFFFAOYSA-N
rxn:2:110352:147222,CCNC(C)c1ccc(OCc2ccccc2)c(C)c1,BLNGDXRFSQRCAQ-UHFFFAOYSA-N
rxn:2:68525:85686,COCc1cc(C#CCNC(C)c2csc(-c3cccs3)c2)cs1,VMFFTCLJGCLOKH-UHFFFAOYSA-N
rxn:2:68737:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCC#Cc1cc[nH]n1,JYRLKSDDKWBEKE-UHFFFAOYSA-N
rxn:2:134689:172752,Cc1cc(-c2cccs2)cc(C)c1C(C)NCCCC1CCN(C)CC1,IPBJBBWKSDBXMQ-UHFFFAOYSA-N
rxn:2:86811:130267,CC(NC1CCC(CC2CCN(C)C2)CC1)c1ccc2ccsc2c1,NXCGITIQBCQPGZ-UHFFFAOYSA-N
rxn:2:162493:78351,Cc1ccc(OCC2CC(NCC#Cc3ccc4c(=O)[nH]cnc4c3)C2)cc1,GYSSNBWICXKQLG-UHFFFAOYSA-N
rxn:2:101439:68807,COc1cnc(C#CCNC(C)c2ccc(-c3sccc3C)s2)nc1,CUMQNLLUDBEJRL-UHFFFAOYSA-N
rxn:2:67562:108959,CC(NCCCc1cnc2cn[nH]c2c1)c1ccc(-c2cccs2)cc1,JCHFUNKNVWTQSZ-UHFFFAOYSA-N
rxn:2:92382:92027,CC(Nc1cn[nH]c1)c1csc(-c2ccco2)c1,SKSKEFWOBCUZIE-UHFFFAOYSA-N
rxn:2:67593:172618,CC(NCC#Cc1cn[nH]c1)c1cc(-c2cc3sccc3s2)cs1,WHGOMYIENWLEAZ-UHFFFAOYSA-N
rxn:2:108789:108959,CC(Nc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2cccs2)cc1,PSVGEPRCSQBXHY-UHFFFAOYSA-N
rxn:2:112728:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCc1cc[nH]n1,BJHVQZADQVFVGB-UHFFFAOYSA-N
rxn:2:66358:102419,CCCC(Cc1ccc2ccccc2c1)NCCCCc1ccn[nH]1,JJDYPTCNTNQZEF-UHFFFAOYSA-N
rxn:2:83484:146828,CSCC(Nc1cnnn1C)c1ccc2cc(C)ccc2c1,JQSYQGDWFKTOIN-UHFFFAOYSA-N
rxn:2:95795:110041,Cc1cnc(CCCNC(C)c2csc(-c3ccsc3)c2)cn1,XQBCHGSHTQHSQR-UHFFFAOYSA-N
rxn:2:137136:122855,COc1ncc(C#CCCNC(C)c2ccc(-c3cccs3)s2)cn1,BUGNLABPDHNPHR-UHFFFAOYSA-N
rxn:2:138592:119877,CC(NC1CCC(CN2CCOCC2)CC1)c1ccc(-c2ccsc2)cc1,FAOBJPIGZOKWRR-UHFFFAOYSA-N
rxn:2:130829:171231,CCOc1cc(C)c(-c2csc(C(C)NCCSc3nccn3C)c2)cc1C,OGLPQSMLPGPOPX-UHFFFAOYSA-N
rxn:2:68525:77974,COCc1cc(C#CCNC(C)c2ccc(-c3ccccc3)s2)cs1,GHHUZORXIQFVGE-UHFFFAOYSA-N
rxn:2:72309:67686,COc1cccc(C(CN2CC2)NC2CC3CCCC32)c1,MAVOMLXEWMLLDH-UHFFFAOYSA-N
rxn:2:97543:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCc1nnn[nH]1,OBRKBIUMKSMNLK-UHFFFAOYSA-N
rxn:2:167169:113626,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cc[nH]c2)s1,PUCQYZQGWVGGJI-UHFFFAOYSA-N
rxn:2:106136:120822,CCn1cc(C#CCCNC(C)c2ccc(-c3ccc(C)s3)cc2)cn1,KSCCBCQZFUBGOO-UHFFFAOYSA-N
rxn:2:74393:170060,Cc1cc(-c2ccc(CCC(C)NCc3ncno3)cc2)cs1,ZWGDJLYFAJBHCC-UHFFFAOYSA-N
rxn:2:162493:109108,Cc1ccccc1OCC1CC(NCC#Cc2ccc3c(=O)[nH]cnc3c2)C1,UGCFLTZKCMTNMZ-UHFFFAOYSA-N
rxn:2:166244:96514,Cc1nc2cc(C#CCNC(C)c3csc(-c4csc(C)n4)c3)ccc2[nH]1,TVNVCDLSBJCZLB-UHFFFAOYSA-N
rxn:2:141397:159993,CNC1CCc2cc(-c3ccnc(OC)c3)ccc2C1,VJAVQNQOLFOGFL-UHFFFAOYSA-N
rxn:2:141544:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCSc1ncn[nH]1,XNKXVMSPJSHYAA-UHFFFAOYSA-N
rxn:2:76625:141988,Cc1cc(-c2ccc(C(C)NCCC#Cc3cnc[nH]3)s2)cs1,IJICJGMFOZOZOR-UHFFFAOYSA-N
rxn:2:162493:119985,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1cccc(-c2cccs2)c1,IJDHOXBUPKWGSE-UHFFFAOYSA-N
rxn:2:144681:127220,Cc1ccc(-c2cc(C(C)NCCC#Cc3ccc4[nH]c(=O)oc4c3)cs2)s1,ODSUSKOWGMLGDG-UHFFFAOYSA-N
rxn:2:107651:88396,Cc1ccc(C(CN2CCCC2)Nc2cnco2)c(C)c1,JZRCATOPWBIVEQ-UHFFFAOYSA-N
rxn:2:127751:173095,CC(Nc1cccnc1)c1ccc2sc3ccccc3c2c1,RJHSQVBLUFMAOS-UHFFFAOYSA-N
rxn:2:70816:109025,Cc1csc(-c2cc(C(C)NCC3CC3c3ccc4nccnc4c3)cs2)c1,YOMASDSLTVHRDP-UHFFFAOYSA-N
rxn:2:132373:122855,CC(NCC#Cc1c[nH]cn1)c1ccc(-c2cccs2)s1,FLMNNTAOGYECKA-UHFFFAOYSA-N
rxn:2:87971:97346,CN(C)CC[C@H]1CC[C@H](NC2CCC(c3ccsc3)CC2)CC1,JUUBFFMALLOZGG-MXYYQSCMSA-N
rxn:2:82827:170892,CC(NCCCCc1cc2cn[nH]c2cn1)c1ccc(-c2cc3sccc3s2)s1,OXLZZFPSQMWYPX-UHFFFAOYSA-N
rxn:2:169101:142183,N=CCN[C@H](c1ccc2cc3ccccc3cc2c1)C1CC1,YEZQVMLEESAHKY-FQEVSTJZSA-N
rxn:2:125874:108959,CC(NCCCc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cccs2)cc1,WXONSKMCTYOQSL-UHFFFAOYSA-N
rxn:2:144681:111147,CC(NCCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2nccs2)cc1,IBIRGUGZPWORBV-UHFFFAOYSA-N
rxn:2:150732:68807,Cc1ccsc1-c1ccc(C(C)NCCCc2ccc3c(=O)[nH]cnc3c2)s1,YIIMJJUJIYRXJN-UHFFFAOYSA-N
rxn:2:103739:96010,CC(NCC1CC1c1cnc2cn[nH]c2c1)c1ccc(-c2ccsc2)cc1,FXNPZKRDDRDGJH-UHFFFAOYSA-N
rxn:2:172870:142183,N=CCN[C@H](c1ccc2ccccc2c1)C1CCCCC1,CCPTUZKFYMHRFR-IBGZPJMESA-N
rxn:2:135125:141988,COc1ncc(C#CCNC(C)c2ccc(-c3csc(C)c3)s2)cn1,NKDGFPCVMOIFJD-UHFFFAOYSA-N
rxn:2:91909:149524,Cc1cscc1C#CCNC1CCN(c2ccc3[nH]ccc3c2)CC1,NCYCJKPYQBDMBK-UHFFFAOYSA-N
rxn:2:148180:122855,CC(NCC1CC1c1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cccs2)s1,XDYQWBUYHVYNNC-UHFFFAOYSA-N
rxn:2:115801:110041,CC(NCCOc1ccc(-c2ccco2)nn1)c1csc(-c2ccsc2)c1,SUSSWXMYVXCAFI-UHFFFAOYSA-N
rxn:2:107531:108959,CC(NCc1nn[nH]n1)c1ccc(-c2cccs2)cc1,QTVGMDRVVIQQGU-UHFFFAOYSA-N
rxn:2:113171:170858,Cc1csc(-c2ccc(C(C)NCCCc3cnn[nH]3)cc2C)c1,HLKQJFYXMCHYTD-UHFFFAOYSA-N
rxn:2:67140:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cnc(N(C)C)nc3)cc2)cs1,REZBDKMMMCOINQ-UHFFFAOYSA-N
rxn:2:144636:169340,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cc3ccccc3s2)s1,USQMQRWBDZKJRI-UHFFFAOYSA-N
rxn:2:118719:170892,COc1ncc(C#CCNC(C)c2ccc(-c3cc4sccc4s3)s2)cc1C,KRXQAUYSQZWYEG-UHFFFAOYSA-N
rxn:2:150732:109025,Cc1csc(-c2cc(C(C)NCCCc3ccc4c(=O)[nH]cnc4c3)cs2)c1,GXLUQLDUQYCXNW-UHFFFAOYSA-N
rxn:2:86397:171180,CCC(NCCCc1c[nH]c(C)n1)c1ccc(-c2cc3cc(C)ccc3s2)cc1,MNTYYLNYVOAMJT-UHFFFAOYSA-N
rxn:2:78366:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cn(C)nc3C)cc2)cs1,YJYDSTNQJBTCHG-UHFFFAOYSA-N
rxn:2:108186:169851,CSc1ccc(-c2ccc(C(C)NCCCCc3cnc4nc[nH]c4c3)cc2)cc1,UWBJCFFKERIXKH-UHFFFAOYSA-N
rxn:2:108667:85686,CC(NCCOc1ccc(-c2cccs2)nn1)c1csc(-c2cccs2)c1,CDYXGTYGROKUPR-UHFFFAOYSA-N
rxn:2:79392:96010,CC(NCCCCc1cn[nH]c1)c1ccc(-c2ccsc2)cc1,VQNGTGWHDOONAC-UHFFFAOYSA-N
rxn:2:77560:171179,CCC(Nc1cnoc1)c1ccc(-c2ccc(C)o2)cc1C,SLNAOEPMRHLCDZ-UHFFFAOYSA-N
rxn:2:100318:73940,CSCC(Nc1cn[nH]c(=O)n1)c1ccc(C)c(C)c1,AJEONFOYVKGVRT-UHFFFAOYSA-N
rxn:2:101439:173089,COc1cnc(C#CCNC(C)c2ccc(-c3cc4sccc4s3)cc2C)nc1,UZPXAXABNYWUHR-UHFFFAOYSA-N
rxn:2:142314:142192,CC(NCC#Cc1ccc2[nH]ccc(=O)c2c1)c1ccc(-c2cccs2)cn1,KPDGBTWCBRSVMN-UHFFFAOYSA-N
rxn:2:166241:142192,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(-c2cccs2)cn1,SEVFNZWFTCVTBQ-UHFFFAOYSA-N
rxn:2:129767:94292,CCC(NCCOC1CCC(N(C)C)CC1)c1ccc(-c2sccc2C)s1,HHSISMOTFPSYOM-UHFFFAOYSA-N
rxn:2:122923:171135,CC(NCCCc1ccc2[nH]c(=O)[nH]c2c1)c1csc(-c2csc3ccccc23)c1,PZPLNYRNLAECHA-UHFFFAOYSA-N
rxn:2:100451:149524,Cc1ccc(C#CCNC2CCN(c3ccc4[nH]ccc4c3)CC2)s1,BVYCXGZBGQPKOL-UHFFFAOYSA-N
rxn:2:71463:107408,CC(NCCOc1ccc(-c2ccccn2)nn1)c1ccc(-c2ccsc2)s1,NFUYDIZORQJRQD-UHFFFAOYSA-N
rxn:2:80395:169412,Cc1csc(-c2ccc(CCC(C)NCC3CC3c3cncnc3)cc2)c1,LHHNKWLLOLVRHP-UHFFFAOYSA-N
rxn:2:130290:109025,Cc1csc(-c2cc(C(C)NCc3c[nH]cn3)cs2)c1,UGEAZWOXKQKHOJ-UHFFFAOYSA-N
rxn:2:122923:126659,Cc1ccc2sc(C(C)NCCCc3ccc4[nH]c(=O)[nH]c4c3)cc2c1,SKXIVRACCZWQEC-UHFFFAOYSA-N
rxn:2:116949:171231,CCOc1cc(C)c(-c2csc(C(C)NCCC(C)c3nc[nH]n3)c2)cc1C,UMTIFLPNDKSORJ-UHFFFAOYSA-N
rxn:2:142622:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCC#Cc1ccc2[nH]c(=O)sc2c1,CIURDPJRBWNCNI-UHFFFAOYSA-N
rxn:2:69232:169340,CC(NCCCc1ccoc1)c1ccc(-c2cc3ccccc3s2)s1,QXXDNNHUOPITLO-UHFFFAOYSA-N
rxn:2:77440:70192,Cc1ccc(OCCC(C)Nc2cnon2)c(C)c1,QHIGOPUSKQZDTD-UHFFFAOYSA-N
rxn:2:122468:148477,CC(NCCCCc1cscn1)c1ccc2c(c1)CCc1ccccc1-2,YAXFHEHIHMGCMU-UHFFFAOYSA-N
rxn:2:97024:114519,Cc1sccc1-c1ccc(C(C)NCCC#Cc2cscn2)cc1,APISCDILFAVWDJ-UHFFFAOYSA-N
rxn:2:74199:96514,Cc1nc(-c2cc(C(C)NCCC#Cc3cnc4cc[nH]c4c3)cs2)cs1,CANKTFVESAGOTD-UHFFFAOYSA-N
rxn:2:80125:170892,CC(NCCc1cccnc1)c1ccc(-c2cc3sccc3s2)s1,SMSJELWJEYJRIG-UHFFFAOYSA-N
rxn:2:74139:159800,COc1ccc(-c2ccc(C(C)NCCCc3csnn3)cc2)cc1,FOLVLDYCLPAYJU-UHFFFAOYSA-N
rxn:2:77440:105824,CN(C)C(CNc1cnon1)c1ccc2c(c1)CCCS2,ROEKFWFAYJJIHW-UHFFFAOYSA-N
rxn:2:97024:141122,C(#Cc1cscn1)CCNC1CC(c2ccc3c(c2)OCCO3)C1,JTJOKGMVDNLKER-UHFFFAOYSA-N
rxn:2:136508:169412,Cc1csc(-c2ccc(CCC(C)NCCCCc3nc[nH]n3)cc2)c1,RVFHUKPBBJYSQV-UHFFFAOYSA-N
rxn:2:126542:141988,COCCc1cc(N2CCC(NC(C)c3ccc(-c4csc(C)c4)s3)CC2)ncn1,ZNMPERUJDXVASK-UHFFFAOYSA-N
rxn:2:109661:170892,CC(NOCc1cccnc1)c1ccc(-c2cc3sccc3s2)s1,FRQIRYOKVPEGGA-UHFFFAOYSA-N
rxn:2:68566:170060,Cc1cc(-c2ccc(CCC(C)NCCCOc3nccn3C)cc2)cs1,AQQRLKPYZNXRKT-UHFFFAOYSA-N
rxn:2:83460:169400,CCC(NC(CC)c1ccc(-c2ccc(C)s2)cc1C)c1nnn[nH]1,AAFIIFIFDQNXFS-UHFFFAOYSA-N
rxn:2:92382:110334,Cc1ccc2cc(C(C)Nc3cn[nH]c3)ccc2c1,YOCOSFKAVWCXDX-UHFFFAOYSA-N
rxn:2:96712:166167,c1ccc2c3c(ccc2c1)CC(NCCCc1ccsn1)CC3,UGHPRTSWJVAANW-UHFFFAOYSA-N
rxn:2:156072:125117,Cc1ccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)oc4c3)cc2)o1,VXCPQJWGFMCTHL-UHFFFAOYSA-N
rxn:2:87202:81152,CCC(Cc1ccc2ccccc2c1)NCCc1cn[nH]c1,JCAPKBUHTLIQBK-UHFFFAOYSA-N
rxn:2:110352:110334,CCNC(C)c1ccc2cc(C)ccc2c1,OKPHHKXIDWLERC-UHFFFAOYSA-N
rxn:2:108667:108959,CC(NCCOc1ccc(-c2cccs2)nn1)c1ccc(-c2cccs2)cc1,KENFPDVIMHQEFY-UHFFFAOYSA-N
rxn:2:139105:127220,Cc1ccc(-c2cc(C(C)NCCC#Cc3ncc[nH]3)cs2)s1,XQQHMZUTMHLPIF-UHFFFAOYSA-N
rxn:2:124198:128472,C(#Cc1ccsc1)CCNC1CC2CC3(CC3)CC2C1,DKUJLBAYOZVLJO-UHFFFAOYSA-N
rxn:2:137922:127220,CCOc1ncc(C#CCNC(C)c2csc(-c3ccc(C)s3)c2)cn1,DHJZGHUGUMCHHO-UHFFFAOYSA-N
rxn:2:141497:91563,Cc1cc(-c2ccco2)ccc1C(C)NCc1cnon1,DQLFBYQVKITSAE-UHFFFAOYSA-N
rxn:2:70411:122855,CC(NCC1CC1c1cnc2cc[nH]c2c1)c1ccc(-c2cccs2)s1,GSUQGPLLGDEAQA-UHFFFAOYSA-N
rxn:2:122474:112875,COCC#Cc1cnc(CNC2CC(C#Cc3cccs3)C2)nc1,NPOOXEXMOAQWBU-UHFFFAOYSA-N
rxn:2:69619:96010,CC(NC[C@H]1CC[C@H](CN2CCCC2)CC1)c1ccc(-c2ccsc2)cc1,NURUYNNDHMADSY-XPUGBJAQSA-N
rxn:2:124693:78538,Cc1ccsc1-c1ccc(C(C)NCC(C)c2nnn[nH]2)cc1,UKNFKCYTKUXTAM-UHFFFAOYSA-N
rxn:2:91310:170892,CO[C@H]1C[C@@H](CCNC(C)c2ccc(-c3cc4sccc4s3)s2)C1,ADVBSKLKWHTZAS-AGUYFDCRSA-N
rxn:2:139798:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3cnc4nc[nH]c4c3)cc2)c1,LDGDKOMWYQBLHX-UHFFFAOYSA-N
rxn:2:83604:84335,CCCC(Cc1cccc(C)c1)NCC1N=N1,ZKVIGGBAIAUXKK-UHFFFAOYSA-N
rxn:2:110352:171013,CCNC(c1ccccc1)c1ccc2ccccc2c1,IRIMYQRGDZPUPI-UHFFFAOYSA-N
rxn:2:124198:140856,C(#Cc1ccsc1)CCNC1CC(c2nncn2C2CC2)C1,MGQVJYJCLLSSMF-UHFFFAOYSA-N
rxn:2:138457:110041,CC(NCC#Cc1ccc(-c2nn[nH]n2)cc1)c1csc(-c2ccsc2)c1,AUPUBZVTLULLKD-UHFFFAOYSA-N
rxn:2:124792:68807,Cc1ccsc1-c1ccc(C(C)NCc2ccn[nH]2)s1,WQPPDGXSEJSMBP-UHFFFAOYSA-N
rxn:2:111209:67686,COc1cccc(C(CN2CC2)Nc2csc3cnccc23)c1,ZZFNEHAETGKHSX-UHFFFAOYSA-N
rxn:2:86568:170411,CCSc1ccc(-c2ccc(C(C)NCCSc3ncc(C)cn3)c(C)c2)cc1,POOCYOHEWFSDOR-UHFFFAOYSA-N
rxn:2:93504:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCc3cocn3)ccc1-2,YKWORLVCUVYDNL-UHFFFAOYSA-N
rxn:2:141315:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCc3ccn(C)n3)ccc1-2,PRSYHAKNNZGXOD-UHFFFAOYSA-N
rxn:2:90256:170892,COc1ccc(C2CC2CCNC(C)c2ccc(-c3cc4sccc4s3)s2)nn1,KZXDUAOYIABZSM-UHFFFAOYSA-N
rxn:2:138457:170060,Cc1cc(-c2ccc(CCC(C)NCC#Cc3ccc(-c4nn[nH]n4)cc3)cc2)cs1,SIMZYIVQNJCZMO-UHFFFAOYSA-N
rxn:2:113822:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCc3ccc(C)nn3)ccc1-2,LDMOVIMRBNBLOV-UHFFFAOYSA-N
rxn:2:129097:169400,CCC(NCCCc1ncc(C)[nH]1)c1ccc(-c2ccc(C)s2)cc1C,REAULVSICHNWAH-UHFFFAOYSA-N
rxn:2:130059:109025,CCOCc1cc(N2CCC(NC(C)c3csc(-c4cc(C)cs4)c3)CC2)ncn1,BVHFZVQZRIRUOM-UHFFFAOYSA-N
rxn:2:123028:170892,COC1CC(CCNC(C)c2ccc(-c3cc4sccc4s3)s2)C1,ADVBSKLKWHTZAS-UHFFFAOYSA-N
rxn:2:97858:170858,Cc1csc(-c2ccc(C(C)NCCc3cnc[nH]3)cc2C)c1,WHBBDHIPSBMASG-UHFFFAOYSA-N
rxn:2:133259:110041,CC(NCC1CC1c1ccc(-c2c[nH]cn2)cc1)c1csc(-c2ccsc2)c1,VEDJCGSUNHVFBR-UHFFFAOYSA-N
rxn:2:99558:122855,COc1ccc(CCCNC(C)c2ccc(-c3cccs3)s2)nn1,CYSGBNJOHYEBBX-UHFFFAOYSA-N
rxn:2:138447:173095,CC(Nc1nc2nonc2[nH]1)c1ccc2sc3ccccc3c2c1,TXXIAJPPSBFEGC-UHFFFAOYSA-N
rxn:2:114204:170060,Cc1cc(-c2ccc(CCC(C)NCC#Cc3cnccn3)cc2)cs1,KZVOLQYOVWESGG-UHFFFAOYSA-N
rxn:2:119168:132559,CC(NC1CCN(C2CCN(C)CC2)CC1)c1ccc(-c2ccsc2)s1,LAUQCEBWDXIGIL-UHFFFAOYSA-N
rxn:2:106136:67655,CCn1cc(C#CCCNC(C)c2ccc(-c3ccccc3)cc2)cn1,SAIIVHHSEXNYLU-UHFFFAOYSA-N
rxn:2:137638:91563,Cc1cc(-c2ccco2)ccc1C(C)Nc1ccc2c(C)n[nH]c2c1,MPQLSDPFRIBHFO-UHFFFAOYSA-N
rxn:2:68525:127220,COCc1cc(C#CCNC(C)c2csc(-c3ccc(C)s3)c2)cs1,KIVAVFBCJVWAPU-UHFFFAOYSA-N
rxn:2:141397:172618,CNC(C)c1cc(-c2cc3sccc3s2)cs1,OIIFAFBMQPBBRV-UHFFFAOYSA-N
rxn:2:117687:125240,CCc1cccc2c1CCC(N[C@@H](C)Cc1cnc[nH]1)C2,YJNMCKZQNVRSNW-KNVGNIICSA-N
rxn:2:98374:171669,Cc1cc(-c2ccc(C(C)NCCCCc3[nH]cnc3C)cc2)c(C)s1,IYBOJGQACCCGRS-UHFFFAOYSA-N
rxn:2:144636:110334,Cc1ccc2cc(C(C)NCCC#Cc3ccc4[nH]c(=O)[nH]c4c3)ccc2c1,ACIFPOHXVJMIPQ-UHFFFAOYSA-N
rxn:2:137446:120181,CC(NCC#Cc1ccc(S(=O)(=O)F)cc1)c1ccc(-c2ccsn2)cc1,SBPXYSCNAVQGNW-UHFFFAOYSA-N
rxn:2:119831:170892,COc1ccc(-n2cc(CNC(C)c3ccc(-c4cc5sccc5s4)s3)cn2)cn1,CAALXSVVVJRQGD-UHFFFAOYSA-N
rxn:2:100097:87790,COc1cccc2c(C(C)NC3CCC(CCN(C)C)CC3)csc12,BAQWPZYTXGGYOH-UHFFFAOYSA-N
rxn:2:108667:113626,CC(NCCOc1ccc(-c2cccs2)nn1)c1ccc(-c2cc[nH]c2)s1,CLYWAMUNXWGIPA-UHFFFAOYSA-N
rxn:2:115966:169340,CC(NCc1ccon1)c1ccc(-c2cc3ccccc3s2)s1,VATKRVIZWAMJRN-UHFFFAOYSA-N
rxn:2:68242:172618,COc1ncc(C#CCNC(C)c2cc(-c3cc4sccc4s3)cs2)c(OC)n1,BFXMNUDSSIXSEX-UHFFFAOYSA-N
rxn:2:94771:169821,CC(Nn1cnnc1)c1ccc2cc3ccccc3cc2c1,SWOVBYSGDYLEIS-UHFFFAOYSA-N
rxn:2:99849:171231,CCOc1cc(C)c(-c2csc(C(C)NCCOCc3c[nH]cn3)c2)cc1C,AMFQJEQPTMJVAN-UHFFFAOYSA-N
rxn:2:114429:107408,CC(NCCC1CC1c1cn[nH]c1)c1ccc(-c2ccsc2)s1,CJSLDQJHWUSAKP-UHFFFAOYSA-N
rxn:2:131041:74293,COc1ccccc1C(CN1CC1)NC1CCc2cscc2C1,WNKLISHFJJCPPL-UHFFFAOYSA-N
rxn:2:125874:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3ccc4[nH]c(=O)sc4c3)cc2)cs1,YDSYZACPDQHUNR-UHFFFAOYSA-N
rxn:2:82511:170892,CC(NCCC#Cc1ccc2[nH]cnc2c1)c1ccc(-c2cc3sccc3s2)s1,BUCHCXARZOWIDA-UHFFFAOYSA-N
rxn:2:74168:91563,Cc1cc(-c2ccco2)ccc1C(C)NC1CC1c1c[nH]cn1,UVZHCFWHIUQYQT-UHFFFAOYSA-N
rxn:2:112728:78538,Cc1ccsc1-c1ccc(C(C)NCCc2cc[nH]n2)cc1,OYMJXIJRTQQKEH-UHFFFAOYSA-N
rxn:2:112830:120822,Cc1ccc(-c2ccc(C(C)NCCCCc3ncccn3)cc2)s1,BIYCZAXYEYPSSK-UHFFFAOYSA-N
rxn:2:97063:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCSc1cnn[nH]1,KAJITYGLPAWZSS-UHFFFAOYSA-N
rxn:2:141397:139599,CNC(C)c1ccc(-c2ccc(C)cc2)s1,BLMKXUSPLLSNHN-UHFFFAOYSA-N
rxn:2:114213:169197,CC(Nc1c[nH][nH]c1=O)c1cccc2c1ccc1ccccc12,LYBLWTNYMIEUCH-UHFFFAOYSA-N
rxn:2:115896:170235,Cc1cccc(-c2ccc3oc(C(C)NC4CCc5conc54)cc3c2)c1,RBOGAPXRTFFQQA-UHFFFAOYSA-N
rxn:2:93644:147222,Cc1cc(C(C)Nc2cn[nH]n2)ccc1OCc1ccccc1,YANAVSABRNCVQV-UHFFFAOYSA-N
rxn:2:91779:173248,Cc1cc(C)c(-c2ccc(C(C)NCCCc3ccc4[nH]c(=O)oc4c3)s2)cc1C,UYACUKGECLGGCS-UHFFFAOYSA-N
rxn:2:86253:67686,COc1cccc(C(CN2CC2)Nc2csc3c2CCC3)c1,MAUUWGMZSQCCGR-UHFFFAOYSA-N
rxn:2:141397:156943,CNC(C)c1ccc(-c2ccc(OC)cc2C)s1,SUTXAQKXFCSKFZ-UHFFFAOYSA-N
rxn:2:97063:109025,Cc1csc(-c2cc(C(C)NCCSc3cnn[nH]3)cs2)c1,DORDPLIBDFCIMF-UHFFFAOYSA-N
rxn:2:156072:113626,CC(NCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2cc[nH]c2)s1,ZCSMWIIVFKMUDI-UHFFFAOYSA-N
rxn:2:166241:113626,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(-c2cc[nH]c2)s1,JJSNIYVPDJROCZ-UHFFFAOYSA-N
rxn:2:133292:107408,CC(NCC1CCC(N2CCN(C)CC2)CC1)c1ccc(-c2ccsc2)s1,RROFBCSUTHARER-UHFFFAOYSA-N
rxn:2:92382:170668,CC(Nc1cn[nH]c1)c1csc(-c2ccc(-c3ccco3)cc2)c1,TUIAQIAANIWESB-UHFFFAOYSA-N
rxn:2:114506:110334,Cc1ccc2cc(C(C)Nc3cc(=O)[nH][nH]3)ccc2c1,JFWCPRDPJGOKHL-UHFFFAOYSA-N
rxn:2:167169:113963,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1cc(-c2cc[nH]c2)cs1,OJGGIICIOCIARM-UHFFFAOYSA-N
rxn:2:124571:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCCCN1CCN(C)CC1,XUPZFOZMGUYSEE-UHFFFAOYSA-N
rxn:2:139383:171669,Cc1cc(-c2ccc(C(C)NCCCCc3cn(C)cn3)cc2)c(C)s1,LYGKPXJEEKLNAH-UHFFFAOYSA-N
rxn:2:141397:160990,CNCC(Cc1cccc(C)c1)c1ccccc1C,BOPMTHYTLSJJQC-UHFFFAOYSA-N
rxn:2:113426:68807,Cc1ccsc1-c1ccc(C(C)NCc2ccc(-c3ccc(=O)[nH]n3)cc2)s1,LTAWYHFEWKQZBE-UHFFFAOYSA-N
rxn:2:108667:77135,CC(NCCOc1ccc(-c2cccs2)nn1)c1ccc(-c2cn[nH]c2)cc1,HDLMVLZGCLGFSH-UHFFFAOYSA-N
rxn:2:81212:91315,CCC(CCc1ccc(C)c(C)c1)Nc1nnn[n-]1,YGTBPTBXRNBHTO-UHFFFAOYSA-N
rxn:2:112350:152898,Cn1cc(C#CCCNC2CCc3cc4ccccc4cc3C2)cn1,KHWHXRWNZDZNEI-UHFFFAOYSA-N
rxn:2:138255:71586,CN(C)CC[C@H]1CC[C@@H](NC2CC(c3ccsc3)C2)CC1,OSAKHEQJTPRTNN-NDWXIICYSA-N
rxn:2:107415:96010,COCCO[C@H]1CC[C@H](NC(C)c2ccc(-c3ccsc3)cc2)CC1,QLRFIUOYTKVHIF-USEYMLRUSA-N
rxn:2:66858:169412,Cc1csc(-c2ccc(CCC(C)NCC3CC3c3cnn(C)c3)cc2)c1,CWVKGDKLUFYHBM-UHFFFAOYSA-N
rxn:2:141555:85686,CC(NC1CCC(CC2CCCN(C)C2)CC1)c1csc(-c2cccs2)c1,XCWVSPZWZVRDIS-UHFFFAOYSA-N
rxn:2:142622:74305,Cc1ccc(-c2ccc(C(C)NCCC#Cc3ccc4[nH]c(=O)sc4c3)cn2)cc1,ATTFIQIOKUNMJH-UHFFFAOYSA-N
rxn:2:74972:169400,CCC(NCc1nnn[nH]1)c1ccc(-c2ccc(C)s2)cc1C,CIKHMSHLURSZLN-UHFFFAOYSA-N
rxn:2:110352:93647,CCCC(NCC)c1ccc2ccccc2c1,OIUPJXWUEKCSJE-UHFFFAOYSA-N
rxn:2:114506:88359,CCC(Nc1cc(=O)[nH][nH]1)c1ccc(-c2cscc2C)cc1,HLGHRGWCLYPVDR-UHFFFAOYSA-N
rxn:2:77440:141195,CCC(Nc1cnon1)c1ccc(-c2sccc2C)cc1,DBIHKSJMMJVMMQ-UHFFFAOYSA-N
rxn:2:95352:120822,Cc1ccc(-c2ccc(C(C)NC3CCN(c4cnco4)CC3)cc2)s1,HLHLOTNSMGMTQQ-UHFFFAOYSA-N
rxn:2:167592:109025,Cc1csc(-c2cc(C(C)NCC#Cc3cnc4[nH]c(=O)oc4c3)cs2)c1,SQSDDIVNUBPOGT-UHFFFAOYSA-N
rxn:2:116191:67083,Cc1cc(C#CCCNC2CC(Cc3ccccc3)C2)cs1,UZBOGDFBVSLQJU-UHFFFAOYSA-N
rxn:2:140720:90126,CC(NCC#Cc1csc(Cn2cccn2)c1)c1ccc(-c2ccsc2)cn1,HSHSVTAASHRQLE-UHFFFAOYSA-N
rxn:2:122474:170060,COCC#Cc1cnc(CNC(C)CCc2ccc(-c3csc(C)c3)cc2)nc1,DSYGPGZMGGAQAA-UHFFFAOYSA-N
rxn:2:137534:170858,Cc1csc(-c2ccc(C(C)NCCc3nnco3)cc2C)c1,BLLRHHRTKCEQGN-UHFFFAOYSA-N
rxn:2:113732:108959,CC(NCC#Cc1ccc2cc[nH]c2c1)c1ccc(-c2cccs2)cc1,VDZSGWSDGATPNE-UHFFFAOYSA-N
rxn:2:162493:92488,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1cc(-c2ccsc2)cs1,SHVMHMSSXVZSGJ-UHFFFAOYSA-N
rxn:2:104030:170060,Cc1cc(-c2ccc(CCC(C)NCCC(C)c3cn[nH]c3)cc2)cs1,ISUSUOXFHZMVAD-UHFFFAOYSA-N
rxn:2:141397:154733,CNC(Cc1ccc(C)c(C)c1)c1cnccn1,OEBPDKHACYRDDZ-UHFFFAOYSA-N
rxn:2:101355:108959,CC(NCC#Cc1cnc2cc[nH]c2c1)c1ccc(-c2cccs2)cc1,ZROOBSYFLBPCNI-UHFFFAOYSA-N
rxn:2:77440:88359,CCC(Nc1cnon1)c1ccc(-c2cscc2C)cc1,PJJOJQFJPFLJRT-UHFFFAOYSA-N
rxn:2:141497:171648,CC(NCc1cnon1)c1ccc(-c2ccc3sccc3c2)o1,KQHSVERZEWEAOP-UHFFFAOYSA-N
rxn:2:115282:170374,CCOc1cc(C)c(-c2ccc(C(CC)Nc3cnnnn3)cc2)cc1C,UWHVRYCCBKYYEN-UHFFFAOYSA-N
rxn:2:136117:67686,COc1cccc(C(CN2CC2)NC2CC2(C)C)c1,LPPQPXNBDBEMRO-UHFFFAOYSA-N
rxn:2:123459:141988,Cc1cc(-c2ccc(C(C)NCCCc3ccc4[nH]cnc4c3)s2)cs1,YIJOCZCADYYSFS-UHFFFAOYSA-N
rxn:2:77560:159185,C=C=CC(Nc1cnoc1)c1ccc2ccccc2c1,XQDNCDTUJYEEMG-UHFFFAOYSA-N
rxn:2:106136:88952,CCn1cc(C#CCCNC(C)CCCCc2cccs2)cn1,FSXSXXWBIDWBIE-UHFFFAOYSA-N
rxn:2:136508:120822,Cc1ccc(-c2ccc(C(C)NCCCCc3nc[nH]n3)cc2)s1,SSKTUXKWDDMFAC-UHFFFAOYSA-N
rxn:2:131711:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCCCCS(C)(=N)=O,DVRRKZATKGDXAQ-UHFFFAOYSA-N
rxn:2:167169:110334,Cc1ccc2cc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)ccc2c1,FBFVTXFVRCBDFQ-UHFFFAOYSA-N
rxn:2:82977:142183,Cc1cc2cc(NCC=N)ccc2s1,YCKWWOQNGRGWQE-UHFFFAOYSA-N
rxn:2:87971:71586,CN(C)CC[C@H]1CC[C@H](NC2CC(c3ccsc3)C2)CC1,OSAKHEQJTPRTNN-RSWLEGOBSA-N
rxn:2:124792:170060,Cc1cc(-c2ccc(CCC(C)NCc3ccn[nH]3)cc2)cs1,RMBAFEFGTQZWRZ-UHFFFAOYSA-N
rxn:2:103573:154103,CCc1[nH]ncc1NC(c1cc[nH]c1)c1ccc2ccccc2c1,JUIMTAGVCIWXSB-UHFFFAOYSA-N
rxn:2:124792:113397,Cc1cccc(OCCC(C)NCc2ccn[nH]2)c1,XKRLCOMLEUFJBR-UHFFFAOYSA-N
rxn:2:102522:96010,COc1ccc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)nn1,LUOGQBMXJUKGRG-UHFFFAOYSA-N
rxn:2:95795:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCc3cnc(C)cn3)ccc1-2,BQIWMGVMRBYIFV-UHFFFAOYSA-N
rxn:2:138231:67686,COc1cccc(C(CN2CC2)N[C@H]2C[C@@H](C)C2)c1,PKJGOUFHHONFCS-XFOUQIDKSA-N
rxn:2:150747:172265,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccc(-c3cccs3)s2)s1,XGHVFDBLKSWOPE-UHFFFAOYSA-N
rxn:2:67593:169412,Cc1csc(-c2ccc(CCC(C)NCC#Cc3cn[nH]c3)cc2)c1,SXMNDORTQIWDBB-UHFFFAOYSA-N
rxn:2:72341:111147,CC(N[C@@H]1CCCC2(CC2)C1)c1ccc(-c2nccs2)cc1,NDYGBSOZGBRGGM-FBMWCMRBSA-N
rxn:2:122923:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3ccc4[nH]c(=O)[nH]c4c3)cc2)cs1,XGDYJOLBOXFMIH-UHFFFAOYSA-N
rxn:2:124422:75228,Cc1ccc(CCC(C)NCc2csnn2)c(C)c1,XWGJHUQBCUBUBD-UHFFFAOYSA-N
rxn:2:115378:107408,CC(N[C@H]1CC[C@H](CN2CCCCC2)CC1)c1ccc(-c2ccsc2)s1,BQSXOOIYSIGWKF-FNNPTEEZSA-N
rxn:2:138457:76379,CC(NCC#Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2cscn2)cc1,SFNQQGCPBBOQHM-UHFFFAOYSA-N
rxn:2:124693:170858,Cc1csc(-c2ccc(C(C)NCC(C)c3nnn[nH]3)cc2C)c1,UFZONLNQWDZGRN-UHFFFAOYSA-N
rxn:2:67140:170892,CC(NCCCc1cnc(N(C)C)nc1)c1ccc(-c2cc3sccc3s2)s1,DFKALHRGTDRVAU-UHFFFAOYSA-N
rxn:2:67624:108959,CC(NC1CN(c2cnccn2)C1)c1ccc(-c2cccs2)cc1,OMGYNOJAECUZFN-UHFFFAOYSA-N
rxn:2:113171:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCCc1cnn[nH]1,CERREOSBJAGJOP-UHFFFAOYSA-N
rxn:2:141497:68807,Cc1ccsc1-c1ccc(C(C)NCc2cnon2)s1,LRBPETCHDCPHOD-UHFFFAOYSA-N
rxn:2:133798:171392,Cn1ccc(C#CCNC2CCC(c3csc4ccccc34)CC2)n1,AHPWTNSNZFPLLT-UHFFFAOYSA-N
rxn:2:150747:94314,Cc1cccc2c(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)csc12,LOUYLBCXHOTKNB-UHFFFAOYSA-N
rxn:2:94616:109025,CCc1cc(OC2CCC(NC(C)c3csc(-c4cc(C)cs4)c3)CC2)ncn1,QEXMOQGHXYPZSA-UHFFFAOYSA-N
rxn:2:139218:66791,Cc1csc(-c2csc(C(C)NCC#Cc3cnn(-c4cnccn4)c3)c2)c1,CUCKBJYDVIGCHE-UHFFFAOYSA-N
rxn:2:150732:172618,CC(NCCCc1ccc2c(=O)[nH]cnc2c1)c1cc(-c2cc3sccc3s2)cs1,XIGUJDFNNRWRDA-UHFFFAOYSA-N
rxn:2:82607:94314,Cc1cccc2c(C(C)NC(C)c3cnco3)csc12,DDMASPMCZDTHPC-UHFFFAOYSA-N
rxn:2:83089:67686,COc1cccc(C(CN2CC2)NC2C3CCCC32)c1,YHJQUXZDVCPSQP-UHFFFAOYSA-N
rxn:2:83579:85686,CC(NCCCc1nn[nH]n1)c1csc(-c2cccs2)c1,YMAICJKQMMOGIL-UHFFFAOYSA-N
rxn:2:137446:96010,CC(NCC#Cc1ccc(S(=O)(=O)F)cc1)c1ccc(-c2ccsc2)cc1,WWLUXUXVLHGHBU-UHFFFAOYSA-N
rxn:2:142622:155572,O=c1[nH]c2ccc(C#CCCNC3CCc4cc(-c5nccs5)ccc43)cc2s1,QZVXUGHQZBFUKX-UHFFFAOYSA-N
rxn:2:88848:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCC#Cc1ncccn1,WABKRTJFKDNRHC-UHFFFAOYSA-N
rxn:2:74393:91563,Cc1cc(-c2ccco2)ccc1C(C)NCc1ncno1,ZVXIZCQSDIAPFD-UHFFFAOYSA-N
rxn:2:137524:123403,Cc1ccc2cc(C(C)NC[C@H]3CC[C@H](CN4CCC4)CC3)sc2c1,HEGPTBHVLYUOGZ-YIQCUVMYSA-N
rxn:2:72890:173016,CC(NCCCCc1c[nH]cn1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,BOPFGPCFMNYJNB-UHFFFAOYSA-N
rxn:2:66982:142183,CCCCC(NCC=N)c1ccc(C)cc1C,QNUBEYMFKUQITQ-UHFFFAOYSA-N
rxn:2:135259:74293,COc1ccccc1C(CN1CC1)Nc1ccc(SC)cc1,FACBZHLLTLRXIM-UHFFFAOYSA-N
rxn:2:95601:141988,Cc1cc(-c2ccc(C(C)NCC#Cc3cnn(-c4ncccn4)c3)s2)cs1,RTYTUVUCQPNTGT-UHFFFAOYSA-N
rxn:2:141397:170070,CNC(C)c1csc2ccc(-c3cscc3C)cc12,XVKGAFSERVSETI-UHFFFAOYSA-N
rxn:2:110271:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCCn3cncn3)c2)cc1C,DBWWIEXBWBXJQW-UHFFFAOYSA-N
rxn:2:104688:120822,Cc1ccc(-c2ccc(C(C)NC3CC(CCS(C)(=N)=O)C3)cc2)s1,PKLMRGUGPKFGPE-UHFFFAOYSA-N
rxn:2:107952:70192,CSC1CCC(NC(C)CCOc2ccc(C)cc2C)C1,QURKFHUHUZMFBJ-UHFFFAOYSA-N
rxn:2:145750:76379,CC(NCCC#Cc1ccc2[nH]c(=O)oc(=O)c2c1)c1ccc(-c2cscn2)cc1,QWABCWXNRVFUGL-UHFFFAOYSA-N
rxn:2:92382:67686,COc1cccc(C(CN2CC2)Nc2cn[nH]c2)c1,HKEOSEWWEBJVMR-UHFFFAOYSA-N
rxn:2:97024:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCC#Cc1cscn1,LSJFQSDBMINGIK-UHFFFAOYSA-N
rxn:2:104011:141988,Cc1cc(-c2ccc(C(C)NCC#Cc3ccc(N4CCN(C)CC4)cc3)s2)cs1,OMRYKDPJOJLGLQ-UHFFFAOYSA-N
rxn:2:83006:172189,Cc1cc(-c2ccc(C3CCC(NCCc4cnn(C)c4)CC3)cc2)cs1,QOBGXSNGYUCXKX-UHFFFAOYSA-N
rxn:2:69172:78538,Cc1ccsc1-c1ccc(C(C)NC(C)c2c[nH]nn2)cc1,PERPQUDEQUCJQK-UHFFFAOYSA-N
rxn:2:139991:169412,CCCC(NC(C)CCc1ccc(-c2cc(C)cs2)cc1)c1nnn[nH]1,DGWMIBLEKIHBOT-UHFFFAOYSA-N
rxn:2:94402:96010,CC(NCC1CCC(CN2CCCC2)CC1)c1ccc(-c2ccsc2)cc1,NURUYNNDHMADSY-UHFFFAOYSA-N
rxn:2:110352:170221,CCNC(c1ccc(-c2cccs2)cc1)c1cccnc1,HEPODPWOSSFAKC-UHFFFAOYSA-N
rxn:2:74199:170892,CC(NCCC#Cc1cnc2cc[nH]c2c1)c1ccc(-c2cc3sccc3s2)s1,OZMDRCCSFLGBRP-UHFFFAOYSA-N
rxn:2:89552:68868,CSCC(Cc1cccs1)NC(C)c1ccc(S(C)(=O)=O)s1,KDXCYLATBUQIDQ-UHFFFAOYSA-N
rxn:2:97900:169594,CC(Nc1n[nH]c2[nH]ncc12)c1ccc2c(ccc3ccccc32)c1,XLXFUKSONGMCDR-UHFFFAOYSA-N
rxn:2:138457:173095,CC(NCC#Cc1ccc(-c2nn[nH]n2)cc1)c1ccc2sc3ccccc3c2c1,KOVKCMDCAWDADW-UHFFFAOYSA-N
rxn:2:129842:67686,CCCCNC(CN1CC1)c1cccc(OC)c1,AECDYOFXABTKLY-UHFFFAOYSA-N
rxn:2:150747:80319,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cccnc2)nc1,FKFOWFKHEMKIFJ-UHFFFAOYSA-N
rxn:2:84164:120822,Cc1nc(SCCNC(C)c2ccc(-c3ccc(C)s3)cc2)n[nH]1,ACYDOHZDTBZBKU-UHFFFAOYSA-N
rxn:2:77371:156984,COc1csc(-c2ccc(C(C)NCC#Cc3ccoc3)c(C)c2)c1,XAKRYAJEJYFUMA-UHFFFAOYSA-N
rxn:2:152228:142183,N=CCNC(c1ccc2c(c1)CCCC2)c1cccs1,PCNQGZSZDYHPLG-UHFFFAOYSA-N
rxn:2:92382:154103,c1ccc2cc(C(Nc3cn[nH]c3)c3cc[nH]c3)ccc2c1,ZOPJBBJUXYBMQP-UHFFFAOYSA-N
rxn:2:77202:126659,Cc1ccc2sc(C(C)NCCCc3cn[nH]c3)cc2c1,OPKGGTICCHQIIC-UHFFFAOYSA-N
rxn:2:162493:151170,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc2c(c1)[nH]c1ccccc12,LVZPKZQOQBRFTA-UHFFFAOYSA-N
rxn:2:140979:169412,Cc1csc(-c2ccc(CCC(C)NC3CCN(c4ncccn4)CC3)cc2)c1,NHNFGAOXKADYPH-UHFFFAOYSA-N
rxn:2:141679:108959,CC(NCCOc1cccc(S(C)(=O)=O)c1)c1ccc(-c2cccs2)cc1,JYZVIKOHYOOXCD-UHFFFAOYSA-N
rxn:2:117699:169412,Cc1csc(-c2ccc(CCC(C)NCCCCS(=O)(=O)F)cc2)c1,ADDIMARDDFEOJP-UHFFFAOYSA-N
rxn:2:68618:68807,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ccc(-c3c[nH]cn3)cc2)s1,UHNYXAMMLGPFAJ-UHFFFAOYSA-N
rxn:2:91798:108959,CC(NCC#Cc1ccc(OCCN(C)C)cc1)c1ccc(-c2cccs2)cc1,YVKNBBKBDXUFOR-UHFFFAOYSA-N
rxn:2:110222:108959,CC(NCCCc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2cccs2)cc1,GCJDGDGUAFRXJQ-UHFFFAOYSA-N
rxn:2:106616:146533,CC(NCc1cnsc1)c1ccc(-c2ccc3cnoc3c2)s1,YIMBLLZZCOSYDC-UHFFFAOYSA-N
rxn:2:116191:107746,Cc1cc(C#CCCNC2CCN(c3ccccc3)CC2)cs1,LVFGCJJHSVTVIQ-UHFFFAOYSA-N
rxn:2:116231:170060,Cc1cc(-c2ccc(CCC(C)NCCC#Cc3[nH]cnc3C)cc2)cs1,XBBFFOFGDWZFNI-UHFFFAOYSA-N
rxn:2:110212:146828,CSCC(Nc1c[nH]nc1C1CC1)c1ccc2cc(C)ccc2c1,LMPSFTXCIFEZOH-UHFFFAOYSA-N
rxn:2:172280:142183,CC(NCC=N)c1ccc2cc3ccccc3cc2c1,JPGBTBRKSZNHBL-UHFFFAOYSA-N
rxn:2:138457:122855,CC(NCC#Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2cccs2)s1,KKEZURQOOAMTAZ-UHFFFAOYSA-N
rxn:2:82049:96010,CC(NC[C@H]1CC[C@H](CN(C)C)CC1)c1ccc(-c2ccsc2)cc1,QXPCUHXTMUWMSH-YIQCUVMYSA-N
rxn:2:135668:85686,CC(NCCOc1cc[nH]n1)c1csc(-c2cccs2)c1,QKUMZYWNSFARIC-UHFFFAOYSA-N
rxn:2:166241:160916,O=c1[nH]c(=O)c2cc(C#CCNC3CCN(c4ccc5sccc5c4)CC3)ccc2[nH]1,FHZQVFGHAULMNG-UHFFFAOYSA-N
rxn:2:100318:78077,CCC(Nc1cn[nH]c(=O)n1)c1ccc(-c2cscc2C)s1,JSMRNRRWRWUJTP-UHFFFAOYSA-N
rxn:2:141847:88396,Cc1ccc(C(CN2CCCC2)Nn2cnnn2)c(C)c1,JUJGZPKWZTXXGB-UHFFFAOYSA-N
rxn:2:66304:96010,CSc1ncc(C#CCCNC(C)c2ccc(-c3ccsc3)cc2)cn1,SHNZKHZYWCAQTM-UHFFFAOYSA-N
rxn:2:67593:156984,COc1csc(-c2ccc(C(C)NCC#Cc3cn[nH]c3)c(C)c2)c1,IHJXCZNUZWRZLR-UHFFFAOYSA-N
rxn:2:162493:134530,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1cnc(-c2cccs2)s1,KFRAJHSYEYQYNX-UHFFFAOYSA-N
rxn:2:69022:173016,CC(NCCCCc1ncc[nH]1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,XWWUJJYXCMLVGO-UHFFFAOYSA-N
rxn:2:156072:105749,CC(NCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2ccco2)cn1,WGZDYRJAOJLYFV-UHFFFAOYSA-N
rxn:2:84357:68807,Cc1ccsc1-c1ccc(C(C)NC2CCN(c3ncco3)CC2)s1,PLSBJGVWOKHJGG-UHFFFAOYSA-N
rxn:2:66304:109025,CSc1ncc(C#CCCNC(C)c2csc(-c3cc(C)cs3)c2)cn1,GQGULWQKNZKGJT-UHFFFAOYSA-N
rxn:2:84357:96010,CC(NC1CCN(c2ncco2)CC1)c1ccc(-c2ccsc2)cc1,VALAAYZVGSHSNO-UHFFFAOYSA-N
rxn:2:166241:90126,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(-c2ccsc2)cn1,BVAUWNWOKRJQSE-UHFFFAOYSA-N
rxn:2:141397:139724,CNC1CCC(c2ccccc2)CC1CCC(C)C,CPSSWFFEEZHRRR-UHFFFAOYSA-N
rxn:1:65013:28754,C[C@H](N)c1cn(-c2cccc(I)c2)nn1,PXNGEGLAFGKCTJ-ZETCQYMHSA-N
rxn:2:139504:123403,Cc1ccc2cc(C(C)NCCC(C)C3CCCC3)sc2c1,NMTKUNDEAAPSCY-UHFFFAOYSA-N
rxn:2:156072:141889,Cc1cccc(C2CCC(NCC#Cc3ccc4[nH]c(=O)oc4c3)CC2)c1,CSKCOGOHBIDFFC-UHFFFAOYSA-N
rxn:2:138923:142183,Cc1cccc(SC(c2ccco2)C(C)NCC=N)c1,CZLMRTVCNHZUSR-UHFFFAOYSA-N
rxn:2:101355:105101,CC(NCC#Cc1cnc2cc[nH]c2c1)c1ccc(-c2ccc[nH]2)cc1,OHSOOOIDOPHUEI-UHFFFAOYSA-N
rxn:2:145750:103126,Cc1cccc(C2CC(NCCC#Cc3ccc4[nH]c(=O)oc(=O)c4c3)C2)c1,ZRULOAZHVIKIHJ-UHFFFAOYSA-N
rxn:2:146036:153414,Cc1cc(-c2ccccc2)ccc1C(C)NCC1CC1c1ccc2[nH]c(=O)[nH]c2c1,IMHKATFKCNFUNJ-UHFFFAOYSA-N
rxn:2:161287:115927,COc1ccc(C(Nc2ccc(Oc3ccnc4ccccc34)cc2)C2(C)CC2)cc1C,USYFOJLZBGPPKQ-UHFFFAOYSA-N
rxn:2:126579:113963,Cc1cc(C#CCNC(C)c2cc(-c3cc[nH]c3)cs2)cs1,UCKOKYXSCJVZMH-UHFFFAOYSA-N
rxn:2:108752:142183,Cc1ccc(-c2csc(NCC=N)c2)cc1,JZXNFLCBJYQINZ-UHFFFAOYSA-N
rxn:2:141397:171534,CNC(C)c1cc2cc(-c3ccc(OC)cc3)ccc2o1,HMQWZGKYBNKIMB-UHFFFAOYSA-N
rxn:2:77560:172163,Cc1csc(-c2cccc(C(C)Nc3cnoc3)c2C)c1,IKWASMQDIMZPPU-UHFFFAOYSA-N
rxn:2:131041:67686,COc1cccc(C(CN2CC2)NC2CCc3cscc3C2)c1,XCNIELGDADNVPV-UHFFFAOYSA-N
rxn:2:123716:91563,Cc1cc(-c2ccco2)ccc1C(C)NCc1cnoc1,XWGQXWPKQWESMP-UHFFFAOYSA-N
rxn:2:139218:76379,CC(NCC#Cc1cnn(-c2cnccn2)c1)c1ccc(-c2cscn2)cc1,UIHLXQRRNKCKGJ-UHFFFAOYSA-N
rxn:2:65963:169412,Cc1csc(-c2ccc(CCC(C)NCCOCc3cocn3)cc2)c1,XRGCUESDVDDZSF-UHFFFAOYSA-N
rxn:2:66304:170892,CSc1ncc(C#CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,VWOUAQJWAHSALO-UHFFFAOYSA-N
rxn:2:94683:170060,Cc1cc(N2CCC(NC(C)CCc3ccc(-c4csc(C)c4)cc3)C2)ncn1,NZYMLIFMPSPMHL-UHFFFAOYSA-N
rxn:2:80332:120822,Cc1ccc(-c2ccc(C(C)NCCC#Cc3ccc4[nH]nnc4c3)cc2)s1,BZWXMLZJADNXSN-UHFFFAOYSA-N
rxn:2:93287:156511,Cc1cnc(C)c(CNC2CCc3cc(-c4ccccc4)ccc3C2)n1,BVNRAFMFROEFKJ-UHFFFAOYSA-N
rxn:2:167169:90126,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccsc2)cn1,AYEPMPHBGKLWKR-UHFFFAOYSA-N
rxn:2:100083:68807,Cc1ncc(CCCNC(C)c2ccc(-c3sccc3C)s2)cn1,NAJDHGUTGCJJGW-UHFFFAOYSA-N
rxn:2:74139:108959,CC(NCCCc1csnn1)c1ccc(-c2cccs2)cc1,FAASCUDUEBQXSR-UHFFFAOYSA-N
rxn:2:66658:114519,Cc1sccc1-c1ccc(C(C)NCCC#Cc2cnoc2)cc1,AZDXIGYQSQNVHN-UHFFFAOYSA-N
rxn:2:72200:122855,CC(NCCCc1nnc[nH]1)c1ccc(-c2cccs2)s1,BMUPJXNFGLFFCL-UHFFFAOYSA-N
rxn:2:137524:130267,CC(NC[C@H]1CC[C@H](CN2CCC2)CC1)c1ccc2ccsc2c1,OREKMSOLGWHLFV-ZNUUHSPMSA-N
rxn:2:135415:169666,Cc1nc(CCCCNC(C)c2cc(-c3ccc(-c4cccnc4)cc3)cs2)c[nH]1,RDZQZVJWAVXCOU-UHFFFAOYSA-N
rxn:2:93504:69508,CCC(NCCCc1cocn1)c1ccc(-c2ccsc2)cc1,QMRNGNIQRGCPRW-UHFFFAOYSA-N
rxn:2:83604:147222,Cc1cc(C(C)NCC2N=N2)ccc1OCc1ccccc1,QEQKEKOFJZDNTR-UHFFFAOYSA-N
rxn:2:91798:66791,Cc1csc(-c2csc(C(C)NCC#Cc3ccc(OCCN(C)C)cc3)c2)c1,OALFYQXRRYJWIC-UHFFFAOYSA-N
rxn:2:117045:172752,Cc1cc(-c2cccs2)cc(C)c1C(C)NCC#Cc1cc[nH]n1,QTLFIFFMFXKKMT-UHFFFAOYSA-N
rxn:2:74139:156943,COc1ccc(-c2ccc(C(C)NCCCc3csnn3)s2)c(C)c1,JHYDDKKZHZWUGC-UHFFFAOYSA-N
rxn:2:123413:90126,CC(NCCC#Cc1ccc(S(=O)(=O)F)cc1)c1ccc(-c2ccsc2)cn1,JMEOYKCPGUESNY-UHFFFAOYSA-N
rxn:2:114934:107408,CC(NCCC#Cc1cnc2nc[nH]c2c1)c1ccc(-c2ccsc2)s1,VKIIUPMOWMOMJN-UHFFFAOYSA-N
rxn:2:100361:96010,CC(NCCCc1nc(-c2ccco2)n[nH]1)c1ccc(-c2ccsc2)cc1,IXDWZVIJDSMEME-UHFFFAOYSA-N
rxn:2:127713:171669,Cc1cc(-c2ccc(C(C)NCCC3CC3c3cnn(C)c3)cc2)c(C)s1,BMCNTEGLIHKLAZ-UHFFFAOYSA-N
rxn:2:85064:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCc1n[nH]c(=S)[nH]1,IARVCJCCMQXJPN-UHFFFAOYSA-N
rxn:2:152434:78351,Cc1ccc(OCC2CC(NCC#Cc3ccc4[nH]c(=O)oc(=O)c4c3)C2)cc1,VXTJKASPXZSLSZ-UHFFFAOYSA-N
rxn:2:68618:113626,CC(NCC#Cc1ccc(-c2c[nH]cn2)cc1)c1ccc(-c2cc[nH]c2)s1,OPXITNJMYRTSKH-UHFFFAOYSA-N
rxn:2:141397:172893,CNC(C)c1ccc(-c2ccc3sccc3c2)cc1C,AFYBJWKAWQTYDH-UHFFFAOYSA-N
rxn:2:68618:108959,CC(NCC#Cc1ccc(-c2c[nH]cn2)cc1)c1ccc(-c2cccs2)cc1,YYCRWMJMJBCBMG-UHFFFAOYSA-N
rxn:2:118057:109025,Cc1csc(-c2cc(C(C)NC3CC(Cc4cc[nH]c4)C3)cs2)c1,ZXRJXVASUHLUOP-UHFFFAOYSA-N
rxn:2:114168:170060,Cc1cc(-c2ccc(CCC(C)NCCCOc3cc[nH]n3)cc2)cs1,DLZPPARUMIDWBX-UHFFFAOYSA-N
rxn:2:119344:171231,CCOCc1noc(CNC(C)c2cc(-c3cc(C)c(OCC)cc3C)cs2)n1,ZKYHPWDTGMLJAE-UHFFFAOYSA-N
rxn:2:106758:99556,Cc1ccc(OC2CCC(N[C@@H](C)c3ccc(-c4cccs4)cc3)CC2)nn1,DHLNTONZQRXXGX-RPCJCACASA-N
rxn:2:86385:148477,CC(NCc1c[nH]nn1)c1ccc2c(c1)CCc1ccccc1-2,PQJQUBXJLHKVBL-UHFFFAOYSA-N
rxn:2:83604:170026,CCCC(NCC1N=N1)c1ccc(-c2cc3cc(C)ccc3s2)cc1,NKFRHYUXHDSCCI-UHFFFAOYSA-N
rxn:2:80790:74293,COc1ccccc1C(CN1CC1)Nc1cccc(SC)c1,ORRCMIMOTOEIIL-UHFFFAOYSA-N
rxn:2:162493:76255,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2c[nH]cn2)cc1,YNDHDGFBPVUPEJ-UHFFFAOYSA-N
rxn:2:77309:67686,CCC(CC)CNC(CN1CC1)c1cccc(OC)c1,UBHIJDGHRGXYJP-UHFFFAOYSA-N
rxn:2:114655:67686,COc1cccc(C(CN2CC2)Nc2cccc3c2SCCC3)c1,XHMIDPJDIUOAQX-UHFFFAOYSA-N
rxn:1:45229:12105,Cc1cn(CCC#Cc2cc(Br)ccc2Br)nn1,HVQZFXOCVHEGQO-UHFFFAOYSA-N
rxn:2:85117:96010,Cc1ccc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)cn1,VHJFQZATYONGHD-UHFFFAOYSA-N
rxn:2:89554:114519,Cc1sccc1-c1ccc(C(C)NCC#Cc2cnc3nc[nH]c3c2)cc1,AGXGTQBVSRZWQW-UHFFFAOYSA-N
rxn:2:122351:88550,Cc1ccc(CCC(Nc2c[nH]nn2)C2CC2)c(C)c1,BCXRUUBQTDCUQR-UHFFFAOYSA-N
rxn:2:111746:114519,Cc1sccc1-c1ccc(C(C)NCCCCc2cnccn2)cc1,XUKMCNOGCCQGAH-UHFFFAOYSA-N
rxn:2:86397:102419,CCCC(Cc1ccc2ccccc2c1)NCCCc1c[nH]c(C)n1,VGCPPUUKUOWZAY-UHFFFAOYSA-N
rxn:2:91885:170060,Cc1cc(-c2ccc(CCC(C)NC3(c4nn[nH]n4)CCCCCC3)cc2)cs1,YQLSGWSAHYLFQC-UHFFFAOYSA-N
rxn:2:66657:133871,CSCC(NC(c1nnn[nH]1)c1ccco1)c1ccc2c(c1)CCC2,HKGWTBXWSGEYCN-UHFFFAOYSA-N
rxn:2:95215:170060,Cc1cc(-c2ccc(CCC(C)N[C@H]3CCCN(c4ccncn4)C3)cc2)cs1,XLENXEWJKNLPCD-IMMUGOHXSA-N
rxn:2:113732:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ccc3cc[nH]c3c2)cc1,WXXPWRQYSBTGLM-UHFFFAOYSA-N
rxn:2:84715:142183,CCC(Cc1cccc(C)c1)NCC=N,MCFSEFINRVPRIO-UHFFFAOYSA-N
rxn:2:87344:141988,COc1ccc(C#CCNC(C)c2ccc(-c3csc(C)c3)s2)cc1,ASTWAIBXSXGNTQ-UHFFFAOYSA-N
rxn:2:162493:159692,O=c1[nH]cnc2cc(C#CCNC3CCc4cc(-c5cccs5)ccc43)ccc12,SZCABIGQHPVMAQ-UHFFFAOYSA-N
rxn:2:73713:170858,Cc1csc(-c2ccc(C(C)NCCCCc3cnc4cc[nH]c4c3)cc2C)c1,XPVJZKXYVZNMFW-UHFFFAOYSA-N
rxn:2:118149:170060,Cc1cc(-c2ccc(CCC(C)NC3CCN(c4ccncn4)CC3)cc2)cs1,AGLRVYRDGSUMJE-UHFFFAOYSA-N
rxn:2:79379:170060,Cc1cc(-c2ccc(CCC(C)NCCCOc3ncccn3)cc2)cs1,XVTKJKOHLPQXQJ-UHFFFAOYSA-N
rxn:2:97453:170892,CC(NCCOc1cc(N(C)C)ncn1)c1ccc(-c2cc3sccc3s2)s1,GKPSAFZRSLWYMI-UHFFFAOYSA-N
rxn:2:113171:170482,Cc1ccc2sc(-c3ccc(C(C)NCCCc4cnn[nH]4)s3)cc2c1,CYIDBUJQGNSVNB-UHFFFAOYSA-N
rxn:2:103739:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC3c3cnc4cn[nH]c4c3)cc2)cs1,NCLYEOSWAYSUNP-UHFFFAOYSA-N
rxn:2:130209:147379,Cc1cccc(-c2ccc(C(C)NCCC#Cc3cnccn3)cc2)c1,XSMMVQHSPZMHIZ-UHFFFAOYSA-N
rxn:2:74199:172076,C(#Cc1cnc2cc[nH]c2c1)CCNC1CCC(c2nc(-c3cccs3)cs2)CC1,OOSNYXAAUXUCKN-UHFFFAOYSA-N
rxn:2:80519:148477,CC(NCCCc1c[nH]c(=S)[nH]1)c1ccc2c(c1)CCc1ccccc1-2,DNVFACCCRPOHBM-UHFFFAOYSA-N
rxn:2:124693:122855,CC(CNC(C)c1ccc(-c2cccs2)s1)c1nnn[nH]1,ANFQUCILAGZTPM-UHFFFAOYSA-N
rxn:2:97543:76289,CCC(NCCc1nnn[nH]1)c1ccc(-c2csc(C)c2)cc1,CNDNFPSWUFJNQH-UHFFFAOYSA-N
rxn:2:83693:96010,CC(NCC1CC1c1ccc2ocnc2c1)c1ccc(-c2ccsc2)cc1,PVPORLAEPPWTLX-UHFFFAOYSA-N
rxn:2:160401:94661,O=c1[nH]c2ncc(C#CCCNC3CC(COc4ccccc4)C3)cc2o1,XURJRYBISSYGTA-UHFFFAOYSA-N
rxn:2:106940:171246,Cc1cc(-c2ccc(-c3ccco3)cc2)ccc1C(C)NCCc1ncno1,XNJUUJZWDKXDBM-UHFFFAOYSA-N
rxn:2:167169:92027,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1csc(-c2ccco2)c1,GFDRZVFBNWEZDW-UHFFFAOYSA-N
rxn:2:105023:107408,CC(NCc1ccc(OCC2CCN(C)C2)cc1)c1ccc(-c2ccsc2)s1,QZWRLWZOOKIDIY-UHFFFAOYSA-N
rxn:2:158858:109025,Cc1csc(-c2cc(C(C)NCC3CC3c3ccc4[nH]c(=O)oc4c3)cs2)c1,ZWJZZRZPHZCGPI-UHFFFAOYSA-N
rxn:2:76625:68807,Cc1ccsc1-c1ccc(C(C)NCCC#Cc2cnc[nH]2)s1,IDLASONOLJMGRA-UHFFFAOYSA-N
rxn:2:139383:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCCc3cn(C)cn3)ccc1-2,KLGTYMVFTWBART-UHFFFAOYSA-N
rxn:2:125962:88532,C[C@@H](NC1CC(C#Cc2cnn(C)c2)C1)c1ccc(-c2cccs2)cc1,XCVPSHZFQXANMT-ZGGTZUKQSA-N
rxn:2:131974:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCCc1cnccn1,WGWJJAYFVHFYAZ-UHFFFAOYSA-N
rxn:2:94862:96010,CC(NCc1cc(=O)[nH][nH]1)c1ccc(-c2ccsc2)cc1,DZWGQGXTQILOGQ-UHFFFAOYSA-N
rxn:2:95375:170060,Cc1cc(-c2ccc(CCC(C)NC3CCCN(c4ccc(=O)[nH]n4)C3)cc2)cs1,UJLGLAHETWJHTB-UHFFFAOYSA-N
rxn:2:105340:171246,Cc1cc(-c2ccc(-c3ccco3)cc2)ccc1C(C)NCCS(=O)(=O)F,VQAODRPTUJKGGP-UHFFFAOYSA-N
rxn:2:113662:81152,CCC(Cc1ccc2ccccc2c1)N[C@H]1Cc2nccn2C1,VMWOQUUXTDWUEV-GGYWPGCISA-N
rxn:2:105023:96010,CC(NCc1ccc(OCC2CCN(C)C2)cc1)c1ccc(-c2ccsc2)cc1,BFMKHIXUEZUIHS-UHFFFAOYSA-N
rxn:2:79392:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCCCc1cn[nH]c1,JIMOLNMRQNMCAZ-UHFFFAOYSA-N
rxn:2:118579:120822,Cc1ccc(-c2ccc(C(C)NCCCC3CN(C)CCO3)cc2)s1,BBTITXYKCXVAMX-UHFFFAOYSA-N
rxn:2:86811:120181,CC(NC1CCC(CC2CCN(C)C2)CC1)c1ccc(-c2ccsn2)cc1,OTVLUFRIAQRJRY-UHFFFAOYSA-N
rxn:2:125198:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCn1ncnn1,YDRMZRMMWBWKJA-UHFFFAOYSA-N
rxn:2:100318:140099,CCC(Nc1cn[nH]c(=O)n1)c1ccc(-c2cccs2)s1,GMNLPUSDDGVLKY-UHFFFAOYSA-N
rxn:2:83579:172927,CC(NCCCc1nn[nH]n1)c1cc(-c2ccc3c(c2)Cc2ccccc2-3)cs1,IYHSOVLMHNOMAY-UHFFFAOYSA-N
rxn:2:73951:94292,CCC(Nc1cn[nH]c(=O)c1)c1ccc(-c2sccc2C)s1,MHHADZFRKLQANN-UHFFFAOYSA-N
rxn:2:106758:114642,CCS(=O)(=O)OC[C@H]1CCC(N[C@@H](C)c2ccc(-c3cccs3)cc2)C1,NJTXLUOYQWQFLP-NRAVZPKASA-N
rxn:2:92133:120665,Cc1ccc(NC2CCN(CCc3ccccc3)CC2)c(OC2CCCC(C)C2)c1,ACYHVZAUNSIQIE-UHFFFAOYSA-N
rxn:2:81958:107408,CC(NCc1ccc(C#CCn2ccnc2)cc1)c1ccc(-c2ccsc2)s1,VFKVSPOWQMHGHA-UHFFFAOYSA-N
rxn:2:104688:169851,CSc1ccc(-c2ccc(C(C)NC3CC(CCS(C)(=N)=O)C3)cc2)cc1,ZAAZLFSULSCMSA-UHFFFAOYSA-N
rxn:2:142622:172076,O=c1[nH]c2ccc(C#CCCNC3CCC(c4nc(-c5cccs5)cs4)CC3)cc2s1,NLKAXJYJFLSMIX-UHFFFAOYSA-N
rxn:2:128763:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC3c3ccc(-c4nn[nH]n4)cc3)cc2)cs1,WHTXGKSJUVZQEL-UHFFFAOYSA-N
rxn:2:131682:142183,N=CCNc1ccc2ccccc2c1,XDVZQFWAEFOQCJ-UHFFFAOYSA-N
rxn:2:82049:123403,Cc1ccc2cc(C(C)NC[C@H]3CC[C@H](CN(C)C)CC3)sc2c1,CWWGJKCHIBZKCT-ZNUUHSPMSA-N
rxn:2:127486:78538,Cc1ccsc1-c1ccc(C(C)NC(C)c2nn[nH]n2)cc1,OVQYGMQHEPYMTE-UHFFFAOYSA-N
rxn:2:125962:165045,CC(N[C@H](C)c1ccc(-c2cccs2)cc1)c1ccc2oc(=O)[nH]c2c1,ADHKXSIYIRSNRP-KWCCSABGSA-N
rxn:2:90768:68807,Cc1ccsc1-c1ccc(C(C)NC2CC3(CCN(C4CCOC4)CC3)C2)s1,PSMUMQBCYMGBLM-UHFFFAOYSA-N
rxn:2:73749:70812,C(#Cc1cn[nH]c1)CCNC1CCC(c2ccccc2)CC1,ZXTSOXFXPVMDNI-UHFFFAOYSA-N
rxn:2:131711:170858,Cc1csc(-c2ccc(C(C)NCCCCS(C)(=N)=O)cc2C)c1,GSLMJOKLSDKXKM-UHFFFAOYSA-N
rxn:2:148180:113626,CC(NCC1CC1c1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cc[nH]c2)s1,RNXFUTXCJBBPKL-UHFFFAOYSA-N
rxn:2:124693:94314,Cc1cccc2c(C(C)NCC(C)c3nnn[nH]3)csc12,RZZLEGLQAOZIBA-UHFFFAOYSA-N
rxn:2:145750:113546,Cc1ccc(C2CCC(NCCC#Cc3ccc4[nH]c(=O)oc(=O)c4c3)C2)cc1,QRPJEGDWTTWGJH-UHFFFAOYSA-N
rxn:2:141679:96010,CC(NCCOc1cccc(S(C)(=O)=O)c1)c1ccc(-c2ccsc2)cc1,JEEGMSUUGMTBDU-UHFFFAOYSA-N
rxn:2:67778:108959,CC(NCCC#Cc1cncnc1)c1ccc(-c2cccs2)cc1,RMEKSLFWTYZUSI-UHFFFAOYSA-N
rxn:2:95352:122855,CC(NC1CCN(c2cnco2)CC1)c1ccc(-c2cccs2)s1,WQLYLYXJQURDDA-UHFFFAOYSA-N
rxn:2:70859:168058,COc1ccc2c(c1)CCc1cc(C(C)NCC(C)CSc3nnc(C)o3)ccc1-2,ADCHUHHRJHEHRT-UHFFFAOYSA-N
rxn:2:141397:154706,CNC(Cn1cncn1)c1ccc(-c2ccccc2)cc1,MAMYPGXRIMNASI-UHFFFAOYSA-N
rxn:2:121350:169412,Cc1csc(-c2ccc(CCC(C)NCCC3CCCS3(=O)=O)cc2)c1,PONYHZLKCNYWJP-UHFFFAOYSA-N
rxn:2:153234:96010,CC(NCC#Cc1ccc2cnn(C)c2c1)c1ccc(-c2ccsc2)cc1,QNKPOMQNXUDVTL-UHFFFAOYSA-N
rxn:2:130225:78538,Cc1ccsc1-c1ccc(C(C)NCCc2cnco2)cc1,QDQSMKPOSWVVGI-UHFFFAOYSA-N
rxn:2:138933:170411,CCSc1ccc(-c2ccc(C(C)NCCCOc3cn[nH]c3)c(C)c2)cc1,UBQNTCSENKBDCI-UHFFFAOYSA-N
rxn:2:142622:143698,O=c1[nH]c2ccc(C#CCCNC3CC(c4ccc5ccccc5c4)C3)cc2s1,WLTJETWONFUPOV-UHFFFAOYSA-N
rxn:2:125968:169851,CSc1ccc(-c2ccc(C(C)NCCCCc3cnn(C)c3)cc2)cc1,QXUJRGMLYVAQEN-UHFFFAOYSA-N
rxn:2:77202:172189,Cc1cc(-c2ccc(C3CCC(NCCCc4cn[nH]c4)CC3)cc2)cs1,MWMSHFLVSJOMSA-UHFFFAOYSA-N
rxn:2:107531:141195,CCC(NCc1nn[nH]n1)c1ccc(-c2sccc2C)cc1,QZEPQODWSIAKOF-UHFFFAOYSA-N
rxn:2:136615:107408,COc1ccnc(N2CC(NC(C)c3ccc(-c4ccsc4)s3)C2)n1,IBDLTMKXLDSEIK-UHFFFAOYSA-N
rxn:2:167169:141889,Cc1cccc(C2CCC(NCC#Cc3ccc4[nH]c(=O)sc4c3)CC2)c1,ONHRFKRCSYPQCQ-UHFFFAOYSA-N
rxn:2:138643:85686,CC(NC1CC(c2nc(-c3cc[nH]c3)c[nH]2)C1)c1csc(-c2cccs2)c1,HZFRKORPDQMJOR-UHFFFAOYSA-N
rxn:2:84839:96010,COc1cc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)ccn1,BUISTORLGNPEIW-UHFFFAOYSA-N
rxn:2:156072:149508,Cc1ccccc1-c1ccc(C(C)NCC#Cc2ccc3[nH]c(=O)oc3c2)cc1,FWVXPRFLBFHWBR-UHFFFAOYSA-N
rxn:2:133259:107408,CC(NCC1CC1c1ccc(-c2c[nH]cn2)cc1)c1ccc(-c2ccsc2)s1,HXLZBLZWQMDYES-UHFFFAOYSA-N
rxn:2:80332:122855,CC(NCCC#Cc1ccc2[nH]nnc2c1)c1ccc(-c2cccs2)s1,UYNVJUBOULECLP-UHFFFAOYSA-N
rxn:2:82773:97346,CN(Cc1cc(C#CCNC2CCC(c3ccsc3)CC2)cs1)C1CC1,OCLDGXIQBMSDLV-UHFFFAOYSA-N
rxn:2:73728:169550,c1ccc(C(NC2CC2)c2ccc(-c3ccco3)cc2)cc1,IISRZJJKEHVBBQ-UHFFFAOYSA-N
rxn:2:86811:109025,Cc1csc(-c2cc(C(C)NC3CCC(CC4CCN(C)C4)CC3)cs2)c1,DZQSOKMKKPXDMI-UHFFFAOYSA-N
rxn:2:139105:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCC#Cc1ncc[nH]1,SFVWAVJRJKPZQX-UHFFFAOYSA-N
rxn:2:105108:96010,CC(NCCCc1nc(-c2cnccn2)no1)c1ccc(-c2ccsc2)cc1,GPAGOKCSUNXELB-UHFFFAOYSA-N
rxn:2:94439:169412,Cc1csc(-c2ccc(CCC(C)NCC3CC3c3cncn3C)cc2)c1,YMRQYAPXEZNVBO-UHFFFAOYSA-N
rxn:2:132131:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3ncno3)cc2)cs1,PFBAIQKTLLKKSL-UHFFFAOYSA-N
rxn:2:141544:88359,CCC(NCCSc1ncn[nH]1)c1ccc(-c2cscc2C)cc1,RFNOILAZEJKKBL-UHFFFAOYSA-N
rxn:2:76009:130267,COc1cc(C#CCNC(C)c2ccc3ccsc3c2)ncn1,YDYMXOHREOSUQY-UHFFFAOYSA-N
rxn:2:67187:170999,COc1cc(-c2cc3ccccc3s2)ccc1C(C)Nc1cncnc1,JMWNRDQUDMCIAU-UHFFFAOYSA-N
rxn:2:116231:127220,Cc1ccc(-c2cc(C(C)NCCC#Cc3[nH]cnc3C)cs2)s1,TWAURWMPSLCVHA-UHFFFAOYSA-N
rxn:2:163596:114642,CCS(=O)(=O)OC[C@H]1CCC(NC(C)c2ccc3c(c2)Cc2ccccc2-3)C1,JGPMQWMYTKRBLL-BATSVXPKSA-N
rxn:2:66765:120822,Cc1ccc(-c2ccc(C(C)NCCCCc3cn(C)nc3C)cc2)s1,IMGOAGUWUZLEJD-UHFFFAOYSA-N
rxn:2:79495:171669,Cc1cc(-c2ccc(C(C)NCCC3CC3c3cn(C)cn3)cc2)c(C)s1,PXDDOOXFJZKLTK-UHFFFAOYSA-N
rxn:2:114945:107408,CC(NC1CCN(c2nccs2)CC1)c1ccc(-c2ccsc2)s1,OJOXHRCKFHQLAB-UHFFFAOYSA-N
rxn:2:66336:67686,COc1cccc(C(CN2CC2)NCCCCc2cscc2C)c1,HFNLNPLZTVIKGG-UHFFFAOYSA-N
rxn:2:141544:107408,CC(NCCSc1ncn[nH]1)c1ccc(-c2ccsc2)s1,VDFQVHMKSDYRGA-UHFFFAOYSA-N
rxn:2:78560:69508,CCC(Nc1cnnc(OC)c1)c1ccc(-c2ccsc2)cc1,JGDPXTRZHDGTOW-UHFFFAOYSA-N
rxn:2:95370:108959,CC(NCCCc1ccc(S(=O)(=O)F)cc1)c1ccc(-c2cccs2)cc1,ZPHVFBMELFMZND-UHFFFAOYSA-N
rxn:2:167169:76379,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cscn2)cc1,GODUGEOUMJWXRD-UHFFFAOYSA-N
rxn:2:141876:170060,CCn1cnc(CCNC(C)CCc2ccc(-c3csc(C)c3)cc2)c1,QZFNULYTPLVLEQ-UHFFFAOYSA-N
rxn:2:68805:159185,C=C=CC(Nc1cn[nH]c1CCC)c1ccc2ccccc2c1,ULFOEYUIBBXLHY-UHFFFAOYSA-N
rxn:2:115674:96010,CC(NCCc1cnc(-c2cnccn2)s1)c1ccc(-c2ccsc2)cc1,CLFQIPIHGROZHA-UHFFFAOYSA-N
rxn:2:87971:90126,CC(N[C@H]1CC[C@H](CCN(C)C)CC1)c1ccc(-c2ccsc2)cn1,QBLPOCUFKCKKBC-VXMCLGGDSA-N
rxn:2:101689:67686,CCC[C@@H]1C[C@H]1CNC(CN1CC1)c1cccc(OC)c1,KPSFEXXXBWZDJJ-HMZVSMPESA-N
rxn:2:87433:173095,Cc1nnnn1NC(C)c1ccc2sc3ccccc3c2c1,BBPDSDDMEJOSJU-UHFFFAOYSA-N
rxn:2:121883:85686,CC(NCCC1CC1c1ccccn1)c1csc(-c2cccs2)c1,HRWFVBUQPSKTMX-UHFFFAOYSA-N
rxn:2:101355:76379,CC(NCC#Cc1cnc2cc[nH]c2c1)c1ccc(-c2cscn2)cc1,AZSWYOKXVKXGRJ-UHFFFAOYSA-N
rxn:2:105568:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3cn(C)cn3)cc2)s1,DMZNNDUMENJJPR-UHFFFAOYSA-N
rxn:2:162493:122855,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2cccs2)s1,OMCXVTBTQFLIAU-UHFFFAOYSA-N
rxn:2:84078:88103,COCC(Nc1ncns1)c1cc2ccccc2s1,AXFSPOHUSUGOSK-UHFFFAOYSA-N
rxn:2:159813:170892,CC(NCC1C(c2ccc3[nH]c(=O)[nH]c3c2)C1(F)F)c1ccc(-c2cc3sccc3s2)s1,UGSWYXWTIGHNTJ-UHFFFAOYSA-N
rxn:2:106940:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCCc1ncno1,JLYOUGRUTZAWOE-UHFFFAOYSA-N
rxn:2:133750:171231,CCOc1cc(C)c(-c2csc(C(C)NC(C)CCn3cncn3)c2)cc1C,YDGKKPREYSPWBO-UHFFFAOYSA-N
rxn:2:118279:159800,COc1ccc(-c2ccc(C(C)NCCCc3cscn3)cc2)cc1,PVFXJAITDQEYCR-UHFFFAOYSA-N
rxn:2:160401:90126,CC(NCCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2ccsc2)cn1,DRXJCHMVHNDSJI-UHFFFAOYSA-N
rxn:2:79251:120822,Cc1ccc(-c2ccc(C(C)NCCn3cncn3)cc2)s1,UZSMSSGWFMAEPS-UHFFFAOYSA-N
rxn:2:95795:170892,Cc1cnc(CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,LPWPVRRBBAMPNG-UHFFFAOYSA-N
rxn:2:114506:91563,Cc1cc(-c2ccco2)ccc1C(C)Nc1cc(=O)[nH][nH]1,KPNKYDXLIJAURA-UHFFFAOYSA-N
rxn:2:105485:88952,CC(CCCCc1cccs1)NCc1ccc(N2CCC(N(C)C)CC2)cc1,CQBDJDNRMWGPCY-UHFFFAOYSA-N
rxn:2:95795:69508,CCC(NCCCc1cnc(C)cn1)c1ccc(-c2ccsc2)cc1,HUAWNYOBJAECRX-UHFFFAOYSA-N
rxn:2:139218:159692,C(#Cc1cnn(-c2cnccn2)c1)CNC1CCc2cc(-c3cccs3)ccc21,SRHGQEMWBKXFEM-UHFFFAOYSA-N
rxn:2:138457:85686,CC(NCC#Cc1ccc(-c2nn[nH]n2)cc1)c1csc(-c2cccs2)c1,QUVQGOVAHPYMMX-UHFFFAOYSA-N
rxn:2:167169:96010,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccsc2)cc1,AVOOJVXWTIPKFZ-UHFFFAOYSA-N
rxn:2:141544:170858,Cc1csc(-c2ccc(C(C)NCCSc3ncn[nH]3)cc2C)c1,UFRLUWZBXDFIQU-UHFFFAOYSA-N
rxn:2:166241:141988,Cc1cc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c(=O)c4c3)s2)cs1,GVWHOSBVQHNEPT-UHFFFAOYSA-N
rxn:2:67380:68807,Cc1ccsc1-c1ccc(C(C)NC2CCC3(CC2)CCN(C)CC3)s1,RYDSOPBTKVEIGL-UHFFFAOYSA-N
rxn:2:103739:108959,CC(NCC1CC1c1cnc2cn[nH]c2c1)c1ccc(-c2cccs2)cc1,RNLLLPVWMAMSDV-UHFFFAOYSA-N
rxn:2:146036:172076,O=c1[nH]c2ccc(C3CC3CNC3CCC(c4nc(-c5cccs5)cs4)CC3)cc2[nH]1,GEMJAOWVVPIHHJ-UHFFFAOYSA-N
rxn:2:108946:96010,CC(NCCc1nc(-c2ccccn2)n[nH]1)c1ccc(-c2ccsc2)cc1,KHLJHZQXKNMHOU-UHFFFAOYSA-N
rxn:2:95804:125333,CCC(NC1CCc2c[nH]cc2C1)c1ccc(-c2cc[nH]c2)cc1,MBMVRXWJWKYDJV-UHFFFAOYSA-N
rxn:2:113171:169400,CCC(NCCCc1cnn[nH]1)c1ccc(-c2ccc(C)s2)cc1C,BDKQWMIYSUYBEM-UHFFFAOYSA-N
rxn:2:80294:170858,Cc1csc(-c2ccc(C(C)NCCCCc3cc(C)[nH]c3C)cc2C)c1,JJLSWTUOZFTANO-UHFFFAOYSA-N
rxn:2:152434:112875,O=c1[nH]c2ccc(C#CCNC3CC(C#Cc4cccs4)C3)cc2c(=O)o1,XKGDGYRUZSYUEW-UHFFFAOYSA-N
rxn:2:83604:87593,COc1ccc(C(CC2CCCC2)NCC2N=N2)c(C)c1C,MLQMOJKMVZVPHB-UHFFFAOYSA-N
rxn:2:138592:85115,CCS(=O)(=O)OCC1CCC(NC(C)c2ccc(-c3ccsc3)cc2)C1,MPZJIJCZCADQIH-UHFFFAOYSA-N
rxn:2:98184:87722,CCOc1ccc(C(C)NC2CCC(C3CC3)C2)cc1C,DXSLIQUMRCRCCK-UHFFFAOYSA-N
rxn:2:89554:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3cnc4nc[nH]c4c3)cc2)s1,KBSJVLXATONEKX-UHFFFAOYSA-N
rxn:2:74737:171669,Cc1cc(-c2ccc(C(C)NCCC3CC3c3ccn(C)n3)cc2)c(C)s1,ARCLAHILVALTDX-UHFFFAOYSA-N
rxn:2:98283:170060,COc1ccc(OCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)cn1,UAYKLOFSMDLWKU-UHFFFAOYSA-N
rxn:2:163476:142183,Cc1ccc2c(c1)C(CCNCC=N)c1cccc(C)c1-2,KXQVMRKUAHNRKY-UHFFFAOYSA-N
rxn:2:70104:82536,CC(CCCc1cccs1)NCCC(C)(C)CC1CCCN(C)C1,ZVHDAWFPOSSDTH-UHFFFAOYSA-N
rxn:2:69619:94314,Cc1cccc2c(C(C)NC[C@H]3CC[C@H](CN4CCCC4)CC3)csc12,BPQGFSQLYXVSEN-JUUMZCOKSA-N
rxn:2:69237:116515,CC(NCC#Cc1csc(CN(C)C)c1)c1ccc(-c2cccs2)nc1,FVYZJELRDDJNLU-UHFFFAOYSA-N
rxn:2:137816:159800,COc1ccc(-c2ccc(C(C)NCC#Cc3cnc(SC)nc3)cc2)cc1,LZMQORDNXVIMHV-UHFFFAOYSA-N
rxn:2:66358:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCCc3ccn[nH]3)ccc1-2,DOWNAHJXKCEYHG-UHFFFAOYSA-N
rxn:2:141819:170858,Cc1csc(-c2ccc(C(C)NCCc3n[nH]c(=O)o3)cc2C)c1,FRMQHPJNIDWJJF-UHFFFAOYSA-N
rxn:2:123859:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3nnc(C)s3)c2)cc1C,IEAQRWBZTCUVPV-UHFFFAOYSA-N
rxn:2:122923:170828,CC(NCCCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccc3sccc3c2)s1,MZHYLOJWGVIHLJ-UHFFFAOYSA-N
rxn:2:85630:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCCCOc1cnn(C)c1,FCMQJNQERSSTLF-UHFFFAOYSA-N
rxn:2:122923:109025,Cc1csc(-c2cc(C(C)NCCCc3ccc4[nH]c(=O)[nH]c4c3)cs2)c1,FQCBKUPXEMQBRW-UHFFFAOYSA-N
rxn:2:93664:102373,CSc1ccc(C#CCCNC2CC(c3ccc(C)s3)C2)cc1,MNPYOQOKYWIYDE-UHFFFAOYSA-N
rxn:2:73713:109025,Cc1csc(-c2cc(C(C)NCCCCc3cnc4cc[nH]c4c3)cs2)c1,CTMJDJRMGBZOAK-UHFFFAOYSA-N
rxn:2:73749:128669,Cc1ccc(C2CCC(NCCC#Cc3cn[nH]c3)CC2)cc1,QLOSNNOFNUKECJ-UHFFFAOYSA-N
rxn:2:110247:108959,CC(NCC#Cc1cccc(S(C)(=O)=O)c1)c1ccc(-c2cccs2)cc1,YCKVVECQPJDEJO-UHFFFAOYSA-N
rxn:2:114509:171069,CC(NCC#Cc1cnn(C)c1)c1ccc(-c2csc3ccccc23)cc1,AMXNMULCNLVXOP-UHFFFAOYSA-N
rxn:2:78366:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3cn(C)nc3C)cc2)c1,WIZIQILIJFIVII-UHFFFAOYSA-N
rxn:2:126006:172494,CC(NCCCN(C)c1ncccn1)c1cc(-c2ccc(-c3ccncc3)cc2)cs1,AKXFZMSEYWDUAP-UHFFFAOYSA-N
rxn:2:130401:123403,CSCCC(NC(C)c1cc2ccc(C)cc2s1)c1ncno1,HMHSMPDVLADCDJ-UHFFFAOYSA-N
rxn:2:108880:91563,Cc1cc(-c2ccco2)ccc1C(C)N[C@@H]1C[C@H]1c1c[nH]cn1,UVZHCFWHIUQYQT-SYFTWWQRSA-N
rxn:2:137984:170060,Cc1cc(-c2ccc(CCC(C)NC3CCN(c4cccnc4)CC3)cc2)cs1,LCTIIPBZVPFLMC-UHFFFAOYSA-N
rxn:2:75149:170060,CCc1noc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)n1,HNDWHODYQOIGHY-UHFFFAOYSA-N
rxn:2:87202:78538,Cc1ccsc1-c1ccc(C(C)NCCc2cn[nH]c2)cc1,YMBVEHJDCJEMBD-UHFFFAOYSA-N
rxn:2:78535:116842,CSc1ccc(-c2ccc(C(C)NCC#Cc3cnc4cn[nH]c4c3)s2)cc1,DADFDDMEQPOWFY-UHFFFAOYSA-N
rxn:2:72890:68807,Cc1ccsc1-c1ccc(C(C)NCCCCc2c[nH]cn2)s1,GXFFBCRAPSSVHN-UHFFFAOYSA-N
rxn:2:99269:123403,Cc1ccc2cc(C(C)NCCCC3CCCc4[nH]c(C)nc43)sc2c1,RTYLSYHVWSYBBK-UHFFFAOYSA-N
rxn:2:141497:78538,Cc1ccsc1-c1ccc(C(C)NCc2cnon2)cc1,JUIDSGJKGCLHMY-UHFFFAOYSA-N
rxn:2:107531:65814,Cc1ccc(-c2cccc(C(C)NCc3nn[nH]n3)c2)s1,ZQXSFNJKVNJZHO-UHFFFAOYSA-N
rxn:2:78535:90126,CC(NCC#Cc1cnc2cn[nH]c2c1)c1ccc(-c2ccsc2)cn1,QANDOPZPGMHHQO-UHFFFAOYSA-N
rxn:2:141397:161575,CNC(C)c1ccc2cccc3c2c1CC3,IPZKEYHNAASUEF-UHFFFAOYSA-N
rxn:2:122351:143909,CN(C)CCC(Nc1c[nH]nn1)c1ccc2ccccc2c1,AXVSUAFEGMRMRD-UHFFFAOYSA-N
rxn:2:82050:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCc1n[nH]c(=O)o1,XSXMYGMZKPCJBY-UHFFFAOYSA-N
rxn:2:73749:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCC#Cc1cn[nH]c1,QDYYHOWFMKANPF-UHFFFAOYSA-N
rxn:2:140720:107408,CC(NCC#Cc1csc(Cn2cccn2)c1)c1ccc(-c2ccsc2)s1,RVGMJRJBLUVFNV-UHFFFAOYSA-N
rxn:2:122923:94314,Cc1cccc2c(C(C)NCCCc3ccc4[nH]c(=O)[nH]c4c3)csc12,WSQXTVAHMWVJEA-UHFFFAOYSA-N
rxn:2:86536:108959,CC(NCCOc1ccc(-c2ccncc2)nn1)c1ccc(-c2cccs2)cc1,XJZGOIWHXXQTER-UHFFFAOYSA-N
rxn:2:100451:104330,Cc1ccc(C#CCNC(C)c2ccc(-c3cc[nH]c3)cc2C)s1,KQWXAQIJUMSBEZ-UHFFFAOYSA-N
rxn:2:97374:173089,COC(C)(C)CCCNC(C)c1ccc(-c2cc3sccc3s2)cc1C,PZRBDDSNTDSNMI-UHFFFAOYSA-N
rxn:2:110247:170892,CC(NCC#Cc1cccc(S(C)(=O)=O)c1)c1ccc(-c2cc3sccc3s2)s1,QNWHEPACURIVRI-UHFFFAOYSA-N
rxn:2:84871:170892,CC(NCCC1CC1c1cnccn1)c1ccc(-c2cc3sccc3s2)s1,SPWAFXDAJWGBIF-UHFFFAOYSA-N
rxn:2:167169:121063,Cc1cc(C(C)NCC#Cc2ccc3[nH]c(=O)sc3c2)ccc1-c1cnc[nH]1,MALWVIYDJUDKCG-UHFFFAOYSA-N
rxn:2:167169:161103,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc2c(c1)Cc1ccccc1-2,RFRHMNCALHPJAN-UHFFFAOYSA-N
rxn:2:167169:129880,Cc1nc(-c2cccs2)ccc1C(C)NCC#Cc1ccc2[nH]c(=O)sc2c1,OFUXVJVKEXUGDG-UHFFFAOYSA-N
rxn:2:77560:169400,CCC(Nc1cnoc1)c1ccc(-c2ccc(C)s2)cc1C,SDAGUXWJLURCBD-UHFFFAOYSA-N
rxn:2:97946:107408,CC(NCCC#Cc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccsc2)s1,BNQMONXSQFCMOJ-UHFFFAOYSA-N
rxn:2:141815:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NC1CC(c2ncccn2)C1,IUCRATJNFSJLGD-UHFFFAOYSA-N
rxn:2:69663:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCCc1ccccn1,ICYQFVAEYBJPMU-UHFFFAOYSA-N
rxn:2:125198:173095,CC(NCCn1ncnn1)c1ccc2sc3ccccc3c2c1,NVFMNZVBGREUJD-UHFFFAOYSA-N
rxn:2:79586:98873,Cc1ccc(C#CCNC2CC2)c(C)c1,WRRGBTJQGXHNLF-UHFFFAOYSA-N
rxn:1:43685:4313,CCN(Cc1cn(CC#Cc2cc(F)nc(F)c2)nn1)c1ccccc1F,FPGSTXHKCIGZON-UHFFFAOYSA-N
rxn:2:125962:144944,CC(N[C@H](C)c1ccc(-c2cccs2)cc1)c1ccc2sc(=O)[nH]c2c1,ZOZCZPUGPVLYKQ-KWCCSABGSA-N
rxn:2:137816:148477,CSc1ncc(C#CCNC(C)c2ccc3c(c2)CCc2ccccc2-3)cn1,VJPRSTDKQAUWCL-UHFFFAOYSA-N
rxn:2:88266:97563,CCOc1ccc(C(CC)N[C@H]2CC[C@@H](CS(=O)(=O)C(C)C)C2)cc1C,LVBWZYKEPAIXCI-MVGXFMOLSA-N
rxn:2:93504:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCCc1cocn1,BRZVSAQGQOTFHV-UHFFFAOYSA-N
rxn:2:160800:144172,Cc1ccc2cc(C(C)NCCC#Cc3ccc4nc[nH]c(=O)c4c3)ccc2n1,NFRIOZIOLIWRRF-UHFFFAOYSA-N
rxn:2:99121:170060,CCS(=O)(=O)C1CCC(CNC(C)CCc2ccc(-c3csc(C)c3)cc2)C1,CEFPHUGWKHNUOS-UHFFFAOYSA-N
rxn:2:68618:144172,Cc1ccc2cc(C(C)NCC#Cc3ccc(-c4c[nH]cn4)cc3)ccc2n1,ZVCMJWLGJRXOMG-UHFFFAOYSA-N
rxn:2:108880:122855,CC(N[C@@H]1C[C@H]1c1c[nH]cn1)c1ccc(-c2cccs2)s1,DSHQZEOREURHOB-PQDIPPBSSA-N
rxn:2:102135:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3nc(-c4ccncc4)n[nH]3)cc2)cs1,NAFACQNOVDJHFW-UHFFFAOYSA-N
rxn:2:88235:142183,CCOc1ccc(C(NCC=N)C2(C)CC2)cc1C,SYLILNDWBANATF-UHFFFAOYSA-N
rxn:2:145750:97710,Cc1ccc([C@H]2CCC(NCCC#Cc3ccc4[nH]c(=O)oc(=O)c4c3)C2)cc1,QRPJEGDWTTWGJH-XJDOXCRVSA-N
rxn:2:83885:169851,CSc1ccc(-c2ccc(C(C)NCCCCc3ccc4[nH]c(=O)oc4c3)cc2)cc1,ACTHIJSMZUDFNR-UHFFFAOYSA-N
rxn:2:124693:75017,Cc1ccc(C(C)NCC(C)c2nnn[nH]2)c2ccccc12,MGTJRYKPEPUEKU-UHFFFAOYSA-N
rxn:2:67298:96010,CC(NC1CN(c2cccnn2)C1)c1ccc(-c2ccsc2)cc1,KOEQCMONPUWRRT-UHFFFAOYSA-N
rxn:2:110765:169412,Cc1csc(-c2ccc(CCC(C)NCC#Cc3cnc(N(C)C)nc3)cc2)c1,NYWVENDAJYJLDP-UHFFFAOYSA-N
rxn:2:149197:108959,CC(NCC#Cc1n[nH]c2nc[nH]c(=O)c12)c1ccc(-c2cccs2)cc1,JFVALXUCESACSY-UHFFFAOYSA-N
rxn:2:166244:109025,Cc1csc(-c2cc(C(C)NCC#Cc3ccc4[nH]c(C)nc4c3)cs2)c1,COTZBPNIAPNRAF-UHFFFAOYSA-N
rxn:2:106758:144944,CC(N[C@@H](C)c1ccc(-c2cccs2)cc1)c1ccc2sc(=O)[nH]c2c1,ZOZCZPUGPVLYKQ-LSLKUGRBSA-N
rxn:2:94642:171669,Cc1cc(-c2ccc(C(C)NCCC3CC3c3cncn3C)cc2)c(C)s1,BLGDPFUWQJEYFV-UHFFFAOYSA-N
rxn:2:90771:156984,COc1csc(-c2ccc(C(C)NC3CCN(c4ncc[nH]c4=O)CC3)c(C)c2)c1,MLASCHBBIZNNAL-UHFFFAOYSA-N
rxn:2:66304:102373,CSc1ncc(C#CCCNC2CC(c3ccc(C)s3)C2)cn1,WFGDQEBNENTRJW-UHFFFAOYSA-N
rxn:2:87344:76379,COc1ccc(C#CCNC(C)c2ccc(-c3cscn3)cc2)cc1,IYOBLHKGXMAHEV-UHFFFAOYSA-N
rxn:2:167169:136123,Cc1ccc(-c2cc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)cs2)cn1,WOIFAOFTOCIKCQ-UHFFFAOYSA-N
rxn:2:167169:70270,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccccc2)nc1,ZFNUVLTUZBEWTI-UHFFFAOYSA-N
rxn:2:137534:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCCc1nnco1,ILZFXJSGWLHLQT-UHFFFAOYSA-N
rxn:2:122488:170060,Cc1cc(-c2ccc(CCC(C)NCC3CCc4nn(C)cc4C3)cc2)cs1,DKAZEZWZNUSYRW-UHFFFAOYSA-N
rxn:2:113822:108959,Cc1ccc(CCCNC(C)c2ccc(-c3cccs3)cc2)nn1,QWWHXNUPEUYZBY-UHFFFAOYSA-N
rxn:2:164315:96010,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(-c2ccsc2)cc1,KSOHPXUQTRWLLX-UHFFFAOYSA-N
rxn:2:108320:159692,Cc1ncc(C#CCCNC2CCc3cc(-c4cccs4)ccc32)cn1,DVFVSLPGEYYAEB-UHFFFAOYSA-N
rxn:2:97543:170892,CC(NCCc1nnn[nH]1)c1ccc(-c2cc3sccc3s2)s1,SAWWQRVBEQOKHD-UHFFFAOYSA-N
rxn:2:93644:161103,CC(Nc1cn[nH]n1)c1ccc2c(c1)Cc1ccccc1-2,UTPPTZJUNKKNOJ-UHFFFAOYSA-N
rxn:2:130300:170060,Cc1cc(-c2ccc(CCC(C)NCC3CCN(c4ncc[nH]c4=O)C3)cc2)cs1,IOGWXAYYNAMGBZ-UHFFFAOYSA-N
rxn:2:94771:143624,CC(Nn1cnnc1)c1ccc2c(c1)-c1ccccc1C2,BTOKYVLLCTZHRE-UHFFFAOYSA-N
rxn:2:141397:171231,CCOc1cc(C)c(-c2csc(C(C)NC)c2)cc1C,XDAUTKKIBOMLQN-UHFFFAOYSA-N
rxn:2:112350:166167,Cn1cc(C#CCCNC2CCc3c(ccc4ccccc34)C2)cn1,LPYXETTXWVQYBW-UHFFFAOYSA-N
rxn:2:141397:169366,CNC(C)c1ccc(-c2cc3ccccc3s2)c2c1OCO2,UUZNDLPPBSDUOV-UHFFFAOYSA-N
rxn:2:67380:108287,COc1ccsc1-c1ccc(C(C)NC2CCC3(CC2)CCN(C)CC3)s1,HXWITPUYXFOUCC-UHFFFAOYSA-N
rxn:2:71646:67686,COc1cccc(C(CN2CC2)N[C@H]2C[C@H](F)C2)c1,ALNRZODFOTVDQP-JOQLWKCKSA-N
rxn:2:69951:142183,COc1ccc(C#CCNCC=N)c(C)c1,NVIUVSBUHKVGHU-UHFFFAOYSA-N
rxn:2:76625:113546,Cc1ccc(C2CCC(NCCC#Cc3cnc[nH]3)C2)cc1,XOVXRWLUJIKFEC-UHFFFAOYSA-N
rxn:2:167169:155500,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc2c(c1)Cc1ccccc1O2,LXFYNUNQXFTSSK-UHFFFAOYSA-N
rxn:2:113765:142183,COc1ccc([C@H](NCC=N)C2CCC2)cc1C,BEZGVHHWJDMSOK-OAHLLOKOSA-N
rxn:2:135959:67686,COc1cccc(C(CN2CC2)NCCCCc2sccc2C)c1,SMMAQTSEJLUQBE-UHFFFAOYSA-N
rxn:2:93811:96010,CC(NCCCc1nc(-c2ncccn2)no1)c1ccc(-c2ccsc2)cc1,JMDNHGPJAIBWSQ-UHFFFAOYSA-N
rxn:2:81680:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cnn(C)c3)cc2)cs1,AGRHRNFBMJRBEB-UHFFFAOYSA-N
rxn:2:149922:68807,Cc1ccsc1-c1ccc(C(C)NCC2CC2c2ccc3c(=O)[nH]cnc3c2)s1,OLAUQRSPJLRTNW-UHFFFAOYSA-N
rxn:2:166241:123403,Cc1ccc2cc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c(=O)c4c3)sc2c1,LKIVUPPGKCCDGD-UHFFFAOYSA-N
rxn:2:67593:70192,Cc1ccc(OCCC(C)NCC#Cc2cn[nH]c2)c(C)c1,CRISNABYAFTNQU-UHFFFAOYSA-N
rxn:2:145750:143698,O=c1[nH]c2ccc(C#CCCNC3CC(c4ccc5ccccc5c4)C3)cc2c(=O)o1,CHJWAHGCSSNDSR-UHFFFAOYSA-N
rxn:2:156072:156984,COc1csc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)oc4c3)c(C)c2)c1,JTJOEECFRYKOBX-UHFFFAOYSA-N
rxn:2:73585:159692,c1csc(-c2ccc3c(c2)CCC3NCCCc2c[nH]cn2)c1,PYRDGTDLBHHJIM-UHFFFAOYSA-N
rxn:2:70376:67686,COc1cccc(C(CN2CC2)N[C@H]2C[C@H](C)C2)c1,PKJGOUFHHONFCS-OFCDMGMCSA-N
rxn:2:78032:88396,Cc1ccc(C(CN2CCCC2)Nn2cncn2)c(C)c1,SRFWLKRVLNCFPJ-UHFFFAOYSA-N
rxn:2:160401:156984,COc1csc(-c2ccc(C(C)NCCC#Cc3cnc4[nH]c(=O)oc4c3)c(C)c2)c1,XAFONUBRESGLRA-UHFFFAOYSA-N
rxn:2:122324:96010,COc1cc(C2CC2CNC(C)c2ccc(-c3ccsc3)cc2)ccn1,MMMDJNNPUKWSBF-UHFFFAOYSA-N
rxn:2:137524:96010,CC(NC[C@H]1CC[C@H](CN2CCC2)CC1)c1ccc(-c2ccsc2)cc1,NHQGDURVAGOGJG-JUUMZCOKSA-N
rxn:2:74393:169412,Cc1csc(-c2ccc(CCC(C)NCc3ncno3)cc2)c1,HFKDIZSALRWLIS-UHFFFAOYSA-N
rxn:2:146942:170892,CC(NCCC1C(c2cnc3nc[nH]c3c2)C1(F)F)c1ccc(-c2cc3sccc3s2)s1,HTZJCGROMKNTOV-UHFFFAOYSA-N
rxn:2:99080:68807,CCn1cc(C#CCNC(C)c2ccc(-c3sccc3C)s2)cn1,YXFZVXBRQOXUBY-UHFFFAOYSA-N
rxn:2:141381:96010,CC(NC1CN(c2ccncn2)C1)c1ccc(-c2ccsc2)cc1,BQIIKHALMCDBNU-UHFFFAOYSA-N
rxn:2:150747:129880,Cc1nc(-c2cccs2)ccc1C(C)NCC#Cc1ccc2[nH]c(=O)[nH]c2c1,ULPCFOYCALJGSY-UHFFFAOYSA-N
rxn:2:105023:108959,CC(NCc1ccc(OCC2CCN(C)C2)cc1)c1ccc(-c2cccs2)cc1,BQIDMZQCOGWIOP-UHFFFAOYSA-N
rxn:2:103818:122855,CC(NCCCc1cnc2[nH]ncc2c1)c1ccc(-c2cccs2)s1,ZNBONAIHSLIATO-UHFFFAOYSA-N
rxn:2:84761:96010,CC(NCCCCc1cncnc1)c1ccc(-c2ccsc2)cc1,LTYOMEPQIZRFQM-UHFFFAOYSA-N
rxn:2:133339:108959,Cc1nc2c([nH]1)CC(NC(C)c1ccc(-c3cccs3)cc1)CC2,IXQKKFAGDQUTCA-UHFFFAOYSA-N
rxn:2:110352:170482,CCNC(C)c1ccc(-c2cc3cc(C)ccc3s2)s1,XQWSNCFJLAFWBX-UHFFFAOYSA-N
rxn:2:79984:169856,CC(Nc1ccnnc1)c1cccc2c1sc1ccccc12,GKTLYDDBGTVEKA-UHFFFAOYSA-N
rxn:2:141397:169487,CNC1CCC2C3CCc4cc(OC)ccc4C3CCC12C,KNBXBDFQZGJALX-UHFFFAOYSA-N
rxn:2:135450:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCCS(C)(=O)=O)ccc1-2,CZHPHXKFYLUEHY-UHFFFAOYSA-N
rxn:2:94771:143660,CC(Nn1cnnc1)c1cc2c(ccc3ccccc32)o1,YIXKUBMVKBWZGU-UHFFFAOYSA-N
rxn:2:108186:172033,CC(NCCCCc1cnc2nc[nH]c2c1)c1ccc(-c2ccc(-c3cn[nH]c3)cc2)s1,CQHOOPZATULZBU-UHFFFAOYSA-N
rxn:2:124198:102373,Cc1ccc(C2CC(NCCC#Cc3ccsc3)C2)s1,DYDOYZWNLDXFOX-UHFFFAOYSA-N
rxn:2:106758:85115,CCS(=O)(=O)OCC1CCC(N[C@@H](C)c2ccc(-c3cccs3)cc2)C1,NJTXLUOYQWQFLP-LYGPFTKASA-N
rxn:2:167768:139886,CC(NCC#Cc1ccc2nccnc2c1)c1ccc(-c2ccco2)cc1,CCJCXXVSOQKXRI-UHFFFAOYSA-N
rxn:2:84357:107408,CC(NC1CCN(c2ncco2)CC1)c1ccc(-c2ccsc2)s1,AWYXYXVHDIPYAM-UHFFFAOYSA-N
rxn:2:101355:109025,Cc1csc(-c2cc(C(C)NCC#Cc3cnc4cc[nH]c4c3)cs2)c1,QOHCXFXJAPVKJV-UHFFFAOYSA-N
rxn:2:111746:85686,CC(NCCCCc1cnccn1)c1csc(-c2cccs2)c1,ZTXBSLQTIDDSBG-UHFFFAOYSA-N
rxn:2:144636:109025,Cc1csc(-c2cc(C(C)NCCC#Cc3ccc4[nH]c(=O)[nH]c4c3)cs2)c1,YRBITZNFHCAWBF-UHFFFAOYSA-N
rxn:2:142033:118142,CONC(C)c1coc2c(C)cccc12,HFSGRVSULSYQGK-UHFFFAOYSA-N
rxn:2:109607:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCCCCC1N=N1,CCMHQFLYXMBFNX-UHFFFAOYSA-N
rxn:2:141397:67213,CNC1CCC(Cc2ccccc2)C1,QRMSDGFNNMZEFN-UHFFFAOYSA-N
rxn:2:120369:172618,COc1ccc(C#CCCNC(C)c2cc(-c3cc4sccc4s3)cs2)nn1,XCBNJOAHVPJQEB-UHFFFAOYSA-N
rxn:2:167169:100235,Cc1ccc2oc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)cc2c1,SWIKUFYEUYTDAY-UHFFFAOYSA-N
rxn:2:146036:120822,Cc1ccc(-c2ccc(C(C)NCC3CC3c3ccc4[nH]c(=O)[nH]c4c3)cc2)s1,JGMUBHZNCNPNSV-UHFFFAOYSA-N
rxn:2:138457:158199,COc1ccc(C(C)NCC#Cc2ccc(-c3nn[nH]n3)cc2)c2scc(C)c12,QBGNWBUGYFAWHD-UHFFFAOYSA-N
rxn:2:73749:141889,Cc1cccc(C2CCC(NCCC#Cc3cn[nH]c3)CC2)c1,MABGUZYFVROEMD-UHFFFAOYSA-N
rxn:2:110222:96010,CC(NCCCc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2ccsc2)cc1,ZJBLYWROTYMEAY-UHFFFAOYSA-N
rxn:2:167169:120038,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccncc2)cc1,QNIXAMLGSZRKHS-UHFFFAOYSA-N
rxn:2:106758:118444,CCS(=O)(=O)OC[C@@H]1CCC(N[C@@H](C)c2ccc(-c3cccs3)cc2)C1,NJTXLUOYQWQFLP-GWFKTICUSA-N
rxn:2:90109:142183,Cc1ccc2oc(CNCC=N)cc2c1,HEFWJMCYYVIZHF-UHFFFAOYSA-N
rxn:2:92382:169197,CC(Nc1cn[nH]c1)c1cccc2c1ccc1ccccc12,JYDPULMSVQPTBK-UHFFFAOYSA-N
rxn:2:110352:160104,CCNC(Cc1cccc(C)c1)c1ccccc1OC,BWQFYFBEWXCPMF-UHFFFAOYSA-N
rxn:2:114213:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)Nc1c[nH][nH]c1=O,WVZXGGLDVHQQKW-UHFFFAOYSA-N
rxn:2:76941:96010,CC(NCCCc1nc(-c2cnccn2)n[nH]1)c1ccc(-c2ccsc2)cc1,QXWLMAUSWKKKHM-UHFFFAOYSA-N
rxn:2:167169:67655,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccccc2)cc1,USUCEDJVNIMQNK-UHFFFAOYSA-N
rxn:2:105108:108959,CC(NCCCc1nc(-c2cnccn2)no1)c1ccc(-c2cccs2)cc1,SKBJQIBYHGKDAY-UHFFFAOYSA-N
rxn:2:114945:108959,CC(NC1CCN(c2nccs2)CC1)c1ccc(-c2cccs2)cc1,YTPZDPGZLWCMHP-UHFFFAOYSA-N
rxn:2:166241:173095,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc2sc3ccccc3c2c1,OZESOIAKMNNRCH-UHFFFAOYSA-N
rxn:2:88299:91582,Cc1ccc(C2CC(NCCC#Cc3ncc(C)s3)C2)cc1,XZKIUUXEXWKBDG-UHFFFAOYSA-N
rxn:2:139218:109025,Cc1csc(-c2cc(C(C)NCC#Cc3cnn(-c4cnccn4)c3)cs2)c1,XVVPPOMDJOOIOE-UHFFFAOYSA-N
rxn:2:91903:141195,CCC(NCCc1nnc[nH]1)c1ccc(-c2sccc2C)cc1,AXFIVCYDFKIJPU-UHFFFAOYSA-N
rxn:2:106136:170892,CCn1cc(C#CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,HQUFLUPKCSFSPE-UHFFFAOYSA-N
rxn:2:165375:142183,N=CCNc1ccc2[nH]c(-c3ccccc3)cc2c1,ANVDJFHOLQLVGD-UHFFFAOYSA-N
rxn:2:66304:139886,CSc1ncc(C#CCCNC(C)c2ccc(-c3ccco3)cc2)cn1,NQBGWCZJKNPLMR-UHFFFAOYSA-N
rxn:2:100097:68807,Cc1ccsc1-c1ccc(C(C)NC2CCC(CCN(C)C)CC2)s1,PQLPOLSFWWXAPJ-UHFFFAOYSA-N
rxn:2:86071:110334,Cc1ccc2cc(C(C)NCCC#Cc3cnc4[nH]ccc4c3)ccc2c1,LRKYWTKOJYFNMV-UHFFFAOYSA-N
rxn:2:97063:110334,Cc1ccc2cc(C(C)NCCSc3cnn[nH]3)ccc2c1,MGFAPDHRHNNKHO-UHFFFAOYSA-N
rxn:2:77793:169666,Cc1[nH]ncc1CCCCNC(C)c1cc(-c2ccc(-c3cccnc3)cc2)cs1,DMGPPGPMEZAMJK-UHFFFAOYSA-N
rxn:2:122923:122855,CC(NCCCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cccs2)s1,MIIGZSGRNCXLAE-UHFFFAOYSA-N
rxn:2:90089:74293,CCc1cscc1NC(CN1CC1)c1ccccc1OC,RXQVBUYTXODZCU-UHFFFAOYSA-N
rxn:2:141544:109025,Cc1csc(-c2cc(C(C)NCCSc3ncn[nH]3)cs2)c1,UOLYGIGBZKYGDE-UHFFFAOYSA-N
rxn:2:66894:108959,CC(NCc1cc(=O)[nH]o1)c1ccc(-c2cccs2)cc1,PAFZXCHEWPOSSM-UHFFFAOYSA-N
rxn:2:95352:96010,CC(NC1CCN(c2cnco2)CC1)c1ccc(-c2ccsc2)cc1,LBLDUPSNLRRRTA-UHFFFAOYSA-N
rxn:2:150732:141988,Cc1cc(-c2ccc(C(C)NCCCc3ccc4c(=O)[nH]cnc4c3)s2)cs1,DVYWNHYAPKILQT-UHFFFAOYSA-N
rxn:2:142622:91511,Cc1ccc(-c2cc(C(C)NCCC#Cc3ccc4[nH]c(=O)sc4c3)cs2)o1,RZURSRHHIGDKPP-UHFFFAOYSA-N
rxn:2:82049:94314,Cc1cccc2c(C(C)NC[C@H]3CC[C@H](CN(C)C)CC3)csc12,DQQUFDHXMOKMKZ-ZNUUHSPMSA-N
rxn:2:104087:170892,CC(NCC#Cc1cnn(-c2ccccn2)c1)c1ccc(-c2cc3sccc3s2)s1,PRSSZSYGCIOLOB-UHFFFAOYSA-N
rxn:2:167169:108127,Cc1nc(-c2ccco2)ccc1C(C)NCC#Cc1ccc2[nH]c(=O)sc2c1,WXDUMZFVLHJVIG-UHFFFAOYSA-N
rxn:2:86229:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3ccncc3C)cc2)cs1,ATSDPKPUHUWDNV-UHFFFAOYSA-N
rxn:2:137524:126659,Cc1ccc2sc(C(C)NC[C@H]3CC[C@H](CN4CCC4)CC3)cc2c1,KTWJXIPILJCIBZ-YIQCUVMYSA-N
rxn:2:132373:169412,Cc1csc(-c2ccc(CCC(C)NCC#Cc3c[nH]cn3)cc2)c1,XMFCLGSXLIHUOD-UHFFFAOYSA-N
rxn:2:139105:170411,CCSc1ccc(-c2ccc(C(C)NCCC#Cc3ncc[nH]3)c(C)c2)cc1,NIYUSSGKVFMQPU-UHFFFAOYSA-N
rxn:2:150747:173095,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc2sc3ccccc3c2c1,RHXJSVSDSHJXPC-UHFFFAOYSA-N
rxn:2:128825:173095,CC(NCCCc1cc[nH]c1)c1ccc2sc3ccccc3c2c1,ZSEPWIQBSHWANG-UHFFFAOYSA-N
rxn:2:91798:114519,Cc1sccc1-c1ccc(C(C)NCC#Cc2ccc(OCCN(C)C)cc2)cc1,XNZNHRIYRDUXNG-UHFFFAOYSA-N
rxn:2:107777:170060,Cc1cc(-c2ccc(CCC(C)NCCC#Cc3nccn3C)cc2)cs1,IRBIGFPNRWYNIJ-UHFFFAOYSA-N
rxn:2:141397:168988,CNC(CCc1ccc(C)cc1C)c1cccc(C)c1,QIESFKJBDUWORB-UHFFFAOYSA-N
rxn:2:132071:68807,Cc1ccsc1-c1ccc(C(C)NCCC2CC2c2cscn2)s1,LHSZBNGTTLFOSL-UHFFFAOYSA-N
rxn:2:94771:147222,Cc1cc(C(C)Nn2cnnc2)ccc1OCc1ccccc1,IDZOMFVOKOGRSS-UHFFFAOYSA-N
rxn:2:97946:159692,CS(=O)(=O)c1ccc(C#CCCNC2CCc3cc(-c4cccs4)ccc32)cc1,QBKNDOQGIGUJDU-UHFFFAOYSA-N
rxn:2:167169:156984,COc1csc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)c(C)c2)c1,TXIMMKLKBZERTQ-UHFFFAOYSA-N
rxn:2:113063:104907,Cc1ccc(OCC(C)NC2CCCC(C3CCCC3)C2)c(C)c1,SXGLNVTZZALVEK-UHFFFAOYSA-N
rxn:2:143107:107408,CC(NCCCCc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2ccsc2)s1,HLUYDGBUQCABMP-UHFFFAOYSA-N
rxn:2:87290:70192,Cc1ccc(OCCC(C)NC2CCCC(C3CC3)C2)c(C)c1,AEJXQQGVHYJFLB-UHFFFAOYSA-N
rxn:2:74079:96010,CC(NCC#Cc1cnn(CC2CCC2)c1)c1ccc(-c2ccsc2)cc1,UBHCJVYYMVQSJS-UHFFFAOYSA-N
rxn:2:167592:169412,Cc1csc(-c2ccc(CCC(C)NCC#Cc3cnc4[nH]c(=O)oc4c3)cc2)c1,IYKUWNATWINNOU-UHFFFAOYSA-N
rxn:2:75313:170060,Cc1ncc(CCCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)cn1,RMQPTYPXKHOLIJ-UHFFFAOYSA-N
rxn:1:52219:28888,Cc1cc(C(=O)O)sc1C1CC1CCn1cc(-c2cccc(C3CC3C=O)c2)nn1,IPQLHOUZZMSJQR-UHFFFAOYSA-N
rxn:2:117046:75228,CC#CCNC(C)CCc1ccc(C)cc1C,XRHOVYWDYDMCDN-UHFFFAOYSA-N
rxn:2:73235:141988,Cc1cc(-c2ccc(C(C)NCCCc3nnc(-c4ncc[nH]4)o3)s2)cs1,JZZMWBQOVWPGIF-UHFFFAOYSA-N
rxn:2:167169:107956,Cc1ccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)cc2)cc1,ALRYFUBOIQFUQA-UHFFFAOYSA-N
rxn:2:167169:69998,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccoc2)cc1,RVUHWAKETNMBCX-UHFFFAOYSA-N
rxn:2:100306:169412,Cc1csc(-c2ccc(CCC(C)NC3CCN(c4cc(=O)[nH]cn4)C3)cc2)c1,OHAMWJOMHXBEEO-UHFFFAOYSA-N
rxn:2:137587:173095,CC(N[C@@H](C)c1nn[nH]n1)c1ccc2sc3ccccc3c2c1,JROJNPFPRFVHNF-DTIOYNMSSA-N
rxn:2:84697:169412,COCC(CNC(C)CCc1ccc(-c2cc(C)cs2)cc1)c1cnccn1,IFASVRSYSWGCNL-UHFFFAOYSA-N
rxn:2:67187:78538,Cc1ccsc1-c1ccc(C(C)Nc2cncnc2)cc1,RFWGTZMGXULFJA-UHFFFAOYSA-N
rxn:2:167260:156984,COc1csc(-c2ccc(C(C)NCCC3CC3c3ccc4[nH]c(=O)[nH]c4c3)c(C)c2)c1,PKHVHBIYZVIOLT-UHFFFAOYSA-N
rxn:2:129587:120822,Cc1ccc(-c2ccc(C(C)NCCCc3ncccn3)cc2)s1,ALCMFFRGRPNJNV-UHFFFAOYSA-N
rxn:2:108432:170060,Cc1cc(-c2ccc(CCC(C)NCCC(C)S(C)(=N)=O)cc2)cs1,GUBZPCZPZZNAOM-UHFFFAOYSA-N
rxn:2:139686:169412,Cc1csc(-c2ccc(CCC(C)NC[C@@H]3C[C@H]3c3cnn(C)c3)cc2)c1,CWVKGDKLUFYHBM-LNMRYCPJSA-N
rxn:2:118218:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3cnc4cc[nH]c4c3)cc2)c1,NHSLDDOWXBYPEA-UHFFFAOYSA-N
rxn:2:164315:122855,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(-c2cccs2)s1,LNKXSPRTQFQUKB-UHFFFAOYSA-N
rxn:2:114522:68807,Cc1ccsc1-c1ccc(C(C)NCCC#Cc2cn(C)cn2)s1,UXCGNPNUDHFFNJ-UHFFFAOYSA-N
rxn:2:125845:173095,CC(Nc1n[nH]c(=O)c(=O)[nH]1)c1ccc2sc3ccccc3c2c1,AXRNBLLNPSOEKH-UHFFFAOYSA-N
rxn:2:110247:96010,CC(NCC#Cc1cccc(S(C)(=O)=O)c1)c1ccc(-c2ccsc2)cc1,BQJRYZQXSRCPGE-UHFFFAOYSA-N
rxn:2:77440:169197,CC(Nc1cnon1)c1cccc2c1ccc1ccccc12,HLFOKOFPZGSGJH-UHFFFAOYSA-N
rxn:2:112079:68807,CSc1ncc(CCCNC(C)c2ccc(-c3sccc3C)s2)cn1,DSZOIDMVPKQCNP-UHFFFAOYSA-N
rxn:2:96733:104470,CC(N[C@@H]1CCC[C@@H](F)C1)c1ccc2c(c1)CCN2C,VYHHNGDBLYAVKR-XHAYOOOLSA-N
rxn:2:142622:120822,Cc1ccc(-c2ccc(C(C)NCCC#Cc3ccc4[nH]c(=O)sc4c3)cc2)s1,KLOQMLOMLSFPNH-UHFFFAOYSA-N
rxn:2:122351:101091,CCSCC(Nc1c[nH]nn1)c1ccc(C)c(C)c1,DCXYUPHHQQKMRP-UHFFFAOYSA-N
rxn:2:140341:94314,Cc1cccc2c(C(C)NC(C)c3nc[nH]n3)csc12,FEFQKPVWURBJEH-UHFFFAOYSA-N
rxn:2:86811:110041,CC(NC1CCC(CC2CCN(C)C2)CC1)c1csc(-c2ccsc2)c1,FRAFJVBILJYPAS-UHFFFAOYSA-N
rxn:2:87579:169412,Cc1csc(-c2ccc(CCC(C)NCCCCc3ccn(C)n3)cc2)c1,RENYKCUDTRJTGF-UHFFFAOYSA-N
rxn:2:122923:156984,COc1csc(-c2ccc(C(C)NCCCc3ccc4[nH]c(=O)[nH]c4c3)c(C)c2)c1,GKWYMZRGSHKVJM-UHFFFAOYSA-N
rxn:2:108320:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCC#Cc3cnc(C)nc3)ccc1-2,ILQXEJMZIOROFS-UHFFFAOYSA-N
rxn:2:94771:154103,c1ccc2cc(C(Nn3cnnc3)c3cc[nH]c3)ccc2c1,GBFWDOMWAICTKC-UHFFFAOYSA-N
rxn:2:104678:170060,Cc1nc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)n(C)n1,RUBMZJMTLULMPP-UHFFFAOYSA-N
rxn:2:122705:127220,Cc1ccc(-c2cc(C(C)NCCCc3ccc(-c4nn[nH]n4)cc3)cs2)s1,LKDUFZADRQHDCP-UHFFFAOYSA-N
rxn:2:98606:70192,Cc1ccc(OCCC(C)NC2CCc3c[nH]cc32)c(C)c1,NHVGZWUMVOSSCW-UHFFFAOYSA-N
rxn:2:110392:171231,CCOc1cc(C)c(-c2csc(C(C)NCCc3n[nH]cc3C)c2)cc1C,MQUUYKGIQFXEMB-UHFFFAOYSA-N
rxn:2:138933:159800,COc1ccc(-c2ccc(C(C)NCCCOc3cn[nH]c3)cc2)cc1,SMCQLNIOMJIZDO-UHFFFAOYSA-N
rxn:2:68680:94292,CCC(NCCCOC1CCN(C)CC1)c1ccc(-c2sccc2C)s1,YEWZHOVDMLKDKX-UHFFFAOYSA-N
rxn:2:119266:170892,CC(NCCCCc1cnc2[nH]ccc2c1)c1ccc(-c2cc3sccc3s2)s1,GVZGXNSEDLPAGL-UHFFFAOYSA-N
rxn:2:94862:169594,CC(NCc1cc(=O)[nH][nH]1)c1ccc2c(ccc3ccccc32)c1,NZSYLKQZCHYGBF-UHFFFAOYSA-N
rxn:2:91928:120822,CCn1cc(C2CC2CCNC(C)c2ccc(-c3ccc(C)s3)cc2)cn1,JKTZRPBQZOQWHT-UHFFFAOYSA-N
rxn:2:141397:153399,CNC1CCc2cc(OCc3ccccc3)ccc21,SQFGYVWFPIACDF-UHFFFAOYSA-N
rxn:2:97946:110041,CC(NCCC#Cc1ccc(S(C)(=O)=O)cc1)c1csc(-c2ccsc2)c1,SIUAPIDSIHOKQF-UHFFFAOYSA-N
rxn:2:134644:107408,CC(NC1CC(Cc2ccc3[nH]cnc3c2)C1)c1ccc(-c2ccsc2)s1,RIQPCMGKLMVGIW-UHFFFAOYSA-N
rxn:2:160401:97346,O=c1[nH]c2ncc(C#CCCNC3CCC(c4ccsc4)CC3)cc2o1,LHVOMSVDYUIYOS-UHFFFAOYSA-N
rxn:2:87688:169851,CCn1cc(CCCNC(C)c2ccc(-c3ccc(SC)cc3)cc2)cn1,GZBLNEBEDORZNC-UHFFFAOYSA-N
rxn:2:95380:155734,COc1ccc(-c2csc(C(C)NCCOc3cnccn3)c2)c(C)c1,DEYMLRNRIOVHOQ-UHFFFAOYSA-N
rxn:2:132329:67686,COc1cccc(C(CN2CC2)NC2CCc3ccc(C)cc3C2)c1,UDRZNWAPKZCGIE-UHFFFAOYSA-N
rxn:2:73951:171246,Cc1cc(-c2ccc(-c3ccco3)cc2)ccc1C(C)Nc1cn[nH]c(=O)c1,BFDVDMRPZVRBEC-UHFFFAOYSA-N
rxn:2:99601:172265,CC(NCCCc1cnn(C)n1)c1ccc(-c2ccc(-c3cccs3)s2)s1,VLFQMZKVFKOCBQ-UHFFFAOYSA-N
rxn:2:103984:108959,COc1ccc(C#CCCNC(C)c2ccc(-c3cccs3)cc2)nc1,NJCKYYCIXQDPLJ-UHFFFAOYSA-N
rxn:2:162493:90126,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2ccsc2)cn1,UYMHDKGRHAXPKS-UHFFFAOYSA-N
rxn:2:119773:170892,Cc1ccc(OCCCNC(C)c2ccc(-c3cc4sccc4s3)s2)nc1,ARSQPOZLKHZFAW-UHFFFAOYSA-N
rxn:2:70104:68807,Cc1ccsc1-c1ccc(C(C)NCCC(C)(C)CC2CCCN(C)C2)s1,YNLGEBURNNMBFG-UHFFFAOYSA-N
rxn:2:136575:170060,COCc1ccnc(CCNC(C)CCc2ccc(-c3csc(C)c3)cc2)n1,FESOEHRBQFQYOD-UHFFFAOYSA-N
rxn:2:112154:107408,CC(NCC#Cc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccsc2)s1,XRKPAQHPJPFDPN-UHFFFAOYSA-N
rxn:2:110352:108959,CCNC(C)c1ccc(-c2cccs2)cc1,CZJFXHAIUMQLEZ-UHFFFAOYSA-N
rxn:2:97063:66791,Cc1csc(-c2csc(C(C)NCCSc3cnn[nH]3)c2)c1,QXXKTIOXTBZQEV-UHFFFAOYSA-N
rxn:2:138527:170411,CCSc1ccc(-c2ccc(C(C)NCCc3nc(COC)no3)c(C)c2)cc1,VAILDWHMILVUPB-UHFFFAOYSA-N
rxn:2:79774:112875,CCN1CCN(c2ccc(CCNC3CC(C#Cc4cccs4)C3)cc2)CC1,IECCWCONYIKIOH-UHFFFAOYSA-N
rxn:2:110191:67686,COc1cccc(C(CN2CC2)NC2CCCCCC2)c1,ZOYCNAYUPUUNCE-UHFFFAOYSA-N
rxn:2:77560:117186,CC(Nc1cnoc1)c1ccc2sccc2c1,TUQJPLIVXGSKMN-UHFFFAOYSA-N
rxn:2:68680:69508,CCC(NCCCOC1CCN(C)CC1)c1ccc(-c2ccsc2)cc1,OYCDEQHSIPABCU-UHFFFAOYSA-N
rxn:2:144636:123403,Cc1ccc2cc(C(C)NCCC#Cc3ccc4[nH]c(=O)[nH]c4c3)sc2c1,GSQQYUDZOKURRW-UHFFFAOYSA-N
rxn:2:119344:169666,CCOCc1noc(CNC(C)c2cc(-c3ccc(-c4cccnc4)cc3)cs2)n1,LTMNQINMNIYPFW-UHFFFAOYSA-N
rxn:2:89311:112929,Cc1ccc(OCCC(C)NCc2cn[nH]c2)cc1,WWGRPHYQQRJDNI-UHFFFAOYSA-N
rxn:2:156072:172076,O=c1[nH]c2ccc(C#CCNC3CCC(c4nc(-c5cccs5)cs4)CC3)cc2o1,RMEHRMIYMZEISA-UHFFFAOYSA-N
rxn:2:136139:171392,Cc1nccc(C#CCNC2CCC(c3csc4ccccc34)CC2)n1,NFKXEKBAVOUVQR-UHFFFAOYSA-N
rxn:2:91764:96514,COc1ccc(C#CCNC(C)c2csc(-c3csc(C)n3)c2)nc1,LUQUGIYSHULJSX-UHFFFAOYSA-N
rxn:2:138255:169851,CSc1ccc(-c2ccc(C(C)N[C@H]3CC[C@@H](CCN(C)C)CC3)cc2)cc1,SZCWXKVVJPWXFF-NSKVCIDXSA-N
rxn:2:125425:96010,CC(N[C@H]1CC[C@H](CN2CCOCC2)CC1)c1ccc(-c2ccsc2)cc1,FAOBJPIGZOKWRR-OVLYYZPWSA-N
rxn:2:160401:91582,Cc1ccc(C2CC(NCCC#Cc3cnc4[nH]c(=O)oc4c3)C2)cc1,LXXJJRRITCHDBL-UHFFFAOYSA-N
rxn:2:118057:68807,Cc1ccsc1-c1ccc(C(C)NC2CC(Cc3cc[nH]c3)C2)s1,XKBWCZBMPSDTGT-UHFFFAOYSA-N
rxn:2:130477:102419,CCCC(Cc1ccc2ccccc2c1)NCCCc1ccc[nH]1,WMFOVTOBLJSNID-UHFFFAOYSA-N
rxn:2:71522:170060,Cc1cc(-c2ccc(CCC(C)NCC3CCCc4[nH]cnc43)cc2)cs1,YBCWEWBTNLZOIN-UHFFFAOYSA-N
rxn:2:72200:173095,CC(NCCCc1nnc[nH]1)c1ccc2sc3ccccc3c2c1,MCVDFNBXXLMTGE-UHFFFAOYSA-N
rxn:2:124417:170060,Cc1cc(-c2ccc(CCC(C)NCCOCc3ccn(C)n3)cc2)cs1,ROIZXCQTBWJUFX-UHFFFAOYSA-N
rxn:2:75557:122855,CC(NCCCc1nnn[nH]1)c1ccc(-c2cccs2)s1,AAHOTTSYDAHGCJ-UHFFFAOYSA-N
rxn:2:99558:170060,COc1ccc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)nn1,AVPSVEJZDDXGIS-UHFFFAOYSA-N
rxn:2:97946:117674,CS(=O)(=O)c1ccc(C#CCCNC2CC(c3nc4c(s3)CCCC4)C2)cc1,KYWTWSHIUDGMPG-UHFFFAOYSA-N
rxn:2:70411:92488,CC(NCC1CC1c1cnc2cc[nH]c2c1)c1cc(-c2ccsc2)cs1,DSIRLMKMLYCQBG-UHFFFAOYSA-N
rxn:2:150747:84225,CCc1ccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)s2)s1,NAICNFLGNXKXEN-UHFFFAOYSA-N
rxn:2:124003:67686,COc1cccc(C(CN2CC2)NCC2CCCc3ccsc3C2)c1,FCVPFYMBJVUYIK-UHFFFAOYSA-N
rxn:2:114506:170548,CC(Nc1cc(=O)[nH][nH]1)c1cccc2cc3ccccc3cc12,HBJLYZDOMPKHQJ-UHFFFAOYSA-N
rxn:2:141544:169412,Cc1csc(-c2ccc(CCC(C)NCCSc3ncn[nH]3)cc2)c1,ALUZVDNHJNYMDQ-UHFFFAOYSA-N
rxn:2:66658:95550,Cc1nc(-c2cccs2)sc1C(C)NCCC#Cc1cnoc1,UTVAUTRZIFGZIO-UHFFFAOYSA-N
rxn:2:94862:170482,Cc1ccc2sc(-c3ccc(C(C)NCc4cc(=O)[nH][nH]4)s3)cc2c1,MQSGIEFJKPHAGM-UHFFFAOYSA-N
rxn:2:74972:170892,CC(NCc1nnn[nH]1)c1ccc(-c2cc3sccc3s2)s1,JIDVOABIMTXLRC-UHFFFAOYSA-N
rxn:2:73676:108959,CC(NCC1CC1c1ccc(S(=O)(=O)F)cc1)c1ccc(-c2cccs2)cc1,UJXJOYIDOTZHBI-UHFFFAOYSA-N
rxn:2:105568:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCC#Cc1cn(C)cn1,IJOWXMGWUJIAAO-UHFFFAOYSA-N
rxn:2:139383:153414,Cc1cc(-c2ccccc2)ccc1C(C)NCCCCc1cn(C)cn1,CINCPUSXOQRPKK-UHFFFAOYSA-N
rxn:2:94771:172265,CC(Nn1cnnc1)c1ccc(-c2ccc(-c3cccs3)s2)s1,GLMQLDXPTZFVJY-UHFFFAOYSA-N
rxn:2:119366:94314,Cc1cccc2c(C(C)NC3CCC(CN4CCCC4)CC3)csc12,DEANAIMJNKSOFM-UHFFFAOYSA-N
rxn:2:165559:151170,CC(NCC#Cc1ccc2nc[nH]c(=O)c2c1)c1ccc2c(c1)[nH]c1ccccc12,LWJUKFTZRRQDLI-UHFFFAOYSA-N
rxn:2:105340:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCS(=O)(=O)F,OLYGFMKPIXUAGV-UHFFFAOYSA-N
rxn:2:76440:108959,Cc1ccc(CCCCNC(C)c2ccc(-c3cccs3)cc2)nn1,RILGSFOCMYJXII-UHFFFAOYSA-N
rxn:2:76638:171231,CCOc1cc(C)c(-c2csc(C(C)NCCC#CCN(C)C)c2)cc1C,CCIPPRGKHKEWPV-UHFFFAOYSA-N
rxn:2:137816:110334,CSc1ncc(C#CCNC(C)c2ccc3cc(C)ccc3c2)cn1,AVDTYHAWLVMMOU-UHFFFAOYSA-N
rxn:1:65438:39085,O=Cc1cn(Cc2ccc(I)c(Cl)c2)nn1,AQKFVFMLHJDSBZ-UHFFFAOYSA-N
rxn:2:146036:169412,Cc1csc(-c2ccc(CCC(C)NCC3CC3c3ccc4[nH]c(=O)[nH]c4c3)cc2)c1,KWSVZXMCYBVLKV-UHFFFAOYSA-N
rxn:2:79251:88359,CCC(NCCn1cncn1)c1ccc(-c2cscc2C)cc1,PDYALGVQOQSYGI-UHFFFAOYSA-N
rxn:2:82511:126659,Cc1ccc2sc(C(C)NCCC#Cc3ccc4[nH]cnc4c3)cc2c1,KIHMEGVHRULSTC-UHFFFAOYSA-N
rxn:2:91597:69508,CCC(NCCCc1ncco1)c1ccc(-c2ccsc2)cc1,HFKOBKORWUMFSW-UHFFFAOYSA-N
rxn:2:71347:96010,CC(NCCC#Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2ccsc2)cc1,JQLLAXRFDJADGA-UHFFFAOYSA-N
rxn:2:130209:169851,CSc1ccc(-c2ccc(C(C)NCCC#Cc3cnccn3)cc2)cc1,HWKGWXMQYMHFST-UHFFFAOYSA-N
rxn:2:137816:120181,CSc1ncc(C#CCNC(C)c2ccc(-c3ccsn3)cc2)cn1,CNKFAAZDQUIEQM-UHFFFAOYSA-N
rxn:2:86071:120181,CC(NCCC#Cc1cnc2[nH]ccc2c1)c1ccc(-c2ccsn2)cc1,LKPGTYHTYYFQNB-UHFFFAOYSA-N
rxn:2:68525:173095,COCc1cc(C#CCNC(C)c2ccc3sc4ccccc4c3c2)cs1,PIUDBZQFALZCDH-UHFFFAOYSA-N
rxn:2:110768:127220,Cc1ccc(-c2cc(C(C)NCC#Cc3cnc4[nH]ncc4c3)cs2)s1,CASUKVMHGCGUKJ-UHFFFAOYSA-N
rxn:2:91950:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3nnc(-c4ccc[nH]4)o3)cc2)cs1,MERPCUSLQBMZOU-UHFFFAOYSA-N
rxn:2:104748:126659,Cc1ccc2sc(C(C)NCCc3c[nH]cn3)cc2c1,MIDVUFMPISDVQN-UHFFFAOYSA-N
rxn:2:101355:172076,C(#Cc1cnc2cc[nH]c2c1)CNC1CCC(c2nc(-c3cccs3)cs2)CC1,CYVMTAUYPUQEQH-UHFFFAOYSA-N
rxn:2:102522:127220,COc1ccc(C#CCNC(C)c2csc(-c3ccc(C)s3)c2)nn1,WIAZOOCECCKEHB-UHFFFAOYSA-N
rxn:2:146036:76379,CC(NCC1CC1c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cscn2)cc1,NTYXFEAFFBALHB-UHFFFAOYSA-N
rxn:2:134689:122855,CC(NCCCC1CCN(C)CC1)c1ccc(-c2cccs2)s1,SNTMKVDDJVSPAE-UHFFFAOYSA-N
rxn:2:112333:169412,Cc1csc(-c2ccc(CCC(C)NCc3nc(=O)[nH][nH]3)cc2)c1,IJNIZMPUUZXSKG-UHFFFAOYSA-N
rxn:2:132998:66791,Cc1csc(-c2csc(C(C)NCc3ccc(-c4ccc(=O)[nH]c4)cc3)c2)c1,FIYGXSFWPJEVQY-UHFFFAOYSA-N
rxn:2:122923:85686,CC(NCCCc1ccc2[nH]c(=O)[nH]c2c1)c1csc(-c2cccs2)c1,FNTNAYAISKLWKP-UHFFFAOYSA-N
rxn:2:131167:169412,CCCn1cnc(CCNC(C)CCc2ccc(-c3cc(C)cs3)cc2)c1,RLHYWDMCMVFWAM-UHFFFAOYSA-N
rxn:2:135058:156943,COc1ccc(-c2ccc(C(C)NCCc3csnn3)s2)c(C)c1,ZAFCNFDSIUMAKO-UHFFFAOYSA-N
rxn:2:148180:108959,CC(NCC1CC1c1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cccs2)cc1,YPRGOTIAVDGESI-UHFFFAOYSA-N
rxn:2:103818:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cnc4[nH]ncc4c3)cc2)cs1,AKLRFWLHSGUHHO-UHFFFAOYSA-N
rxn:2:68737:123403,Cc1ccc2cc(C(C)NCCC#Cc3cc[nH]n3)sc2c1,YVLKYFYBITXQET-UHFFFAOYSA-N
rxn:2:97024:159800,COc1ccc(-c2ccc(C(C)NCCC#Cc3cscn3)cc2)cc1,YEPIXLJHENNWJB-UHFFFAOYSA-N
rxn:2:83688:90126,CC(NCC1CC1c1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccsc2)cn1,JUZMUOOSFOHTMN-UHFFFAOYSA-N
rxn:2:74567:108959,CC(NCC1CC1c1ccc2[nH]ccc2c1)c1ccc(-c2cccs2)cc1,WNWNPJXBANJUNI-UHFFFAOYSA-N
rxn:2:122923:169668,Cc1csc(-c2cc(C)c(C(C)NCCCc3ccc4[nH]c(=O)[nH]c4c3)c(C)c2)c1,FXIITNAALNNHSD-UHFFFAOYSA-N
rxn:2:94862:91563,Cc1cc(-c2ccco2)ccc1C(C)NCc1cc(=O)[nH][nH]1,RRLFBROKUJXUSY-UHFFFAOYSA-N
rxn:2:104030:70192,Cc1ccc(OCCC(C)NCCC(C)c2cn[nH]c2)c(C)c1,RKEINTLIYHSACX-UHFFFAOYSA-N
rxn:2:116191:91563,Cc1cc(C#CCCNC(C)c2ccc(-c3ccco3)cc2C)cs1,PWYNHPRYKFJOPT-UHFFFAOYSA-N
rxn:2:110352:154498,CCNC(c1ccc(-c2ccc(C)o2)cc1)c1cccnc1,MGJLBNOCADCROO-UHFFFAOYSA-N
rxn:2:91747:172189,CSc1ncc(CCNC2CCC(c3ccc(-c4csc(C)c4)cc3)CC2)cn1,QGXQEKJVEJXGPT-UHFFFAOYSA-N
rxn:2:92382:122855,CC(Nc1cn[nH]c1)c1ccc(-c2cccs2)s1,BAPROAJHSANGJT-UHFFFAOYSA-N
rxn:2:141847:83009,CC(Nn1cnnn1)c1cc2ccccc2s1,PVCMANHQBVAZIU-UHFFFAOYSA-N
rxn:2:107651:161575,CC(Nc1cnco1)c1ccc2cccc3c2c1CC3,ZYQVXOHOZNWGQM-UHFFFAOYSA-N
rxn:2:77780:170892,CC(NCCC#Cc1nc[nH]n1)c1ccc(-c2cc3sccc3s2)s1,CYUPPKKQGRNNRJ-UHFFFAOYSA-N
rxn:2:113732:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3ccc4cc[nH]c4c3)cc2)s1,XQUYCZMFMMBRGV-UHFFFAOYSA-N
rxn:2:110352:166766,CCNC(c1ccc2ccccc2c1)c1ccc(C)o1,UVRGBKOLIWYYNP-UHFFFAOYSA-N
rxn:2:108320:173095,Cc1ncc(C#CCCNC(C)c2ccc3sc4ccccc4c3c2)cn1,IEHYQLBEXXHDKQ-UHFFFAOYSA-N
rxn:2:85973:96010,CC(NCCCc1nc(-c2ccco2)no1)c1ccc(-c2ccsc2)cc1,JREUHWZENCBNHY-UHFFFAOYSA-N
rxn:2:91950:96010,CC(NCCCc1nnc(-c2ccc[nH]2)o1)c1ccc(-c2ccsc2)cc1,WRAZCQLCASZKGJ-UHFFFAOYSA-N
rxn:2:131974:114519,Cc1sccc1-c1ccc(C(C)NCCCc2cnccn2)cc1,BRJRKSWYQKAHAT-UHFFFAOYSA-N
rxn:2:141525:144664,Cc1ccccc1OCC(NCC1CC1)c1ccn(C)c1,OJPBJTAGPNPBNS-UHFFFAOYSA-N
rxn:2:121911:107567,CSCC(Nc1ccn[nH]c1=S)c1cc2ccccc2o1,QOEUCIYPQYVQHE-UHFFFAOYSA-N
rxn:2:145188:81125,CC(NCCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2ccco2)s1,SOYFJWTYINQCCP-UHFFFAOYSA-N
rxn:2:110352:173161,CCCC(NCC)c1ccc(-c2ccc(C)o2)cc1,CNCVFQCETSGOFT-UHFFFAOYSA-N
rxn:2:66358:173248,Cc1cc(C)c(-c2ccc(C(C)NCCCCc3ccn[nH]3)s2)cc1C,ZMJUTTLDNWHKKI-UHFFFAOYSA-N
rxn:2:132131:171152,CC(NCCCc1ncno1)c1ccc(-c2ccc3c(c2)oc2ccccc23)s1,SVFNKMIIVIGAEU-UHFFFAOYSA-N
rxn:2:141397:172278,CCOc1ccc(-c2cc(C(C)NC)cs2)cc1,DVYCNPGJIGOPCH-UHFFFAOYSA-N
rxn:2:92476:78538,Cc1ccsc1-c1ccc(C(C)NC2CC2c2ccoc2)cc1,ROMICFSTNJYWGU-UHFFFAOYSA-N
rxn:2:88304:169412,Cc1csc(-c2ccc(CCC(C)Nc3ccno3)cc2)c1,GBZHOJSPMMDEFC-UHFFFAOYSA-N
rxn:2:114506:169197,CC(Nc1cc(=O)[nH][nH]1)c1cccc2c1ccc1ccccc12,XPLHFRLXEBFJGR-UHFFFAOYSA-N
rxn:2:69680:173089,COc1noc(CCNC(C)c2ccc(-c3cc4sccc4s3)cc2C)n1,WABCJNOVKLRLAZ-UHFFFAOYSA-N
rxn:2:108231:170892,CCCCn1cc(C#CCNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,NFGGJHNMHIANRY-UHFFFAOYSA-N
rxn:2:74199:124273,CC(NCCC#Cc1cnc2cc[nH]c2c1)c1ccc(-c2cnsc2)s1,QTSVCYCMIMIWNB-UHFFFAOYSA-N
rxn:2:120564:68807,Cc1ccsc1-c1ccc(C(C)NCCCc2nnco2)s1,CGLMWYWRANHQIT-UHFFFAOYSA-N
rxn:2:116489:169412,Cc1csc(-c2ccc(CCC(C)NCC#Cc3nncs3)cc2)c1,LOFIUOFPKQLYFS-UHFFFAOYSA-N
rxn:2:107938:112875,C(#Cc1ccc2cc[nH]c2c1)CCNC1CC(C#Cc2cccs2)C1,KWDMHNFVXOPVBI-UHFFFAOYSA-N
rxn:2:70925:141988,Cc1cc(-c2ccc(C(C)NCCC3CC3c3ccc[nH]3)s2)cs1,MHQRNJBJHVKNKR-UHFFFAOYSA-N
rxn:2:114168:120822,Cc1ccc(-c2ccc(C(C)NCCCOc3cc[nH]n3)cc2)s1,NQCGEVBAAOQQHT-UHFFFAOYSA-N
rxn:2:102078:169851,COc1cc(N2CCC(NC(C)c3ccc(-c4ccc(SC)cc4)cc3)C2)ncn1,JOVGNLXNKJGWTK-UHFFFAOYSA-N
rxn:2:101439:171069,COc1cnc(C#CCNC(C)c2ccc(-c3csc4ccccc34)cc2)nc1,FTDXFZKPEZHOQG-UHFFFAOYSA-N
rxn:2:133270:170060,Cc1cc(-c2ccc(CCC(C)NC3CN(c4ncnc(C)c4C)C3)cc2)cs1,QYIQIRZCGKDBAD-UHFFFAOYSA-N
rxn:2:97024:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCC#Cc3cscn3)ccc1-2,NSZPSYRAIAREKM-UHFFFAOYSA-N
rxn:2:113171:122855,CC(NCCCc1cnn[nH]1)c1ccc(-c2cccs2)s1,OCXDFZCMGBWBCN-UHFFFAOYSA-N
rxn:2:141381:108959,CC(NC1CN(c2ccncn2)C1)c1ccc(-c2cccs2)cc1,VOODPLPRRLZGIW-UHFFFAOYSA-N
rxn:2:120564:170668,CC(NCCCc1nnco1)c1csc(-c2ccc(-c3ccco3)cc2)c1,NBRBCJMSJFPNPH-UHFFFAOYSA-N
rxn:2:133799:67686,COc1cccc(C(CN2CC2)NC23CC(C2)C3)c1,KRVZLOLITZNHOK-UHFFFAOYSA-N
rxn:2:132899:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCc1nncs1,OGVCIWDQVLTFRK-UHFFFAOYSA-N
rxn:2:133392:169412,Cc1csc(-c2ccc(CCC(C)NCCCSc3nccs3)cc2)c1,XEQARPDTBCCOSG-UHFFFAOYSA-N
rxn:2:89509:173095,CC(Nc1cncc(=O)[nH]1)c1ccc2sc3ccccc3c2c1,JERZTQLYTSWGSY-UHFFFAOYSA-N
rxn:2:133292:122855,CC(NCC1CCC(N2CCN(C)CC2)CC1)c1ccc(-c2cccs2)s1,QBJOIVHGTAOAEX-UHFFFAOYSA-N
rxn:2:138255:119227,Cc1ccc2c(c1)CCC(N[C@H]1CC[C@@H](CCN(C)C)CC1)C2,JLKHYZOJXAPOPE-MUDSECEASA-N
rxn:2:81631:67686,COc1cccc(C(CN2CC2)NC2CC23CCC3)c1,ZKLOFMCZSPQKAZ-UHFFFAOYSA-N
rxn:2:119211:170060,CCCCc1c(NC(C)CCc2ccc(-c3csc(C)c3)cc2)o[nH]c1=O,KALHQLDTPNUSHD-UHFFFAOYSA-N
rxn:2:166241:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c(=O)c4c3)cc2)s1,SLSDYAXGOAJPDJ-UHFFFAOYSA-N
rxn:2:114191:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCCCc1ccc[nH]1,HKNHAFLTDZCLTG-UHFFFAOYSA-N
rxn:2:79809:170892,CC(NCC#Cc1csc(N2CCOCC2)n1)c1ccc(-c2cc3sccc3s2)s1,FCAYYHCGHHDVQN-UHFFFAOYSA-N
rxn:2:67187:68234,CCC(Nc1cncnc1)c1ccc(-c2cc(C)cs2)cc1,PUTWWKZXDYEUID-UHFFFAOYSA-N
rxn:2:113171:172618,CC(NCCCc1cnn[nH]1)c1cc(-c2cc3sccc3s2)cs1,OFLRFXGMLPCUAJ-UHFFFAOYSA-N
rxn:2:86297:169412,Cc1csc(-c2ccc(CCC(C)NCc3cnsn3)cc2)c1,VUXMORCKGVCUBC-UHFFFAOYSA-N
rxn:2:130515:67686,COc1cccc(C(CN2CC2)Nc2ccc3sccc3c2)c1,NPWQJWFNMDMIBU-UHFFFAOYSA-N
rxn:2:103585:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCS(=O)(=O)c1ccccn1,YEPKJPGOHVAOEV-UHFFFAOYSA-N
rxn:2:122923:76379,CC(NCCCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cscn2)cc1,HKIXBAUSYSFGFQ-UHFFFAOYSA-N
rxn:2:79392:170892,CC(NCCCCc1cn[nH]c1)c1ccc(-c2cc3sccc3s2)s1,CJJYPGVYPMJGQN-UHFFFAOYSA-N
rxn:2:121949:108959,Cc1cc2ccc(CNC(C)c3ccc(-c4cccs4)cc3)cc2[nH]1,NCWVBAIQGCWDAV-UHFFFAOYSA-N
rxn:1:60111:20674,Oc1ccc(C(F)(F)F)cc1Cn1nc(C2CC2)cc1-c1cn(I)nn1,CDKAHCXVSVZBSG-UHFFFAOYSA-N
rxn:2:138457:114519,Cc1sccc1-c1ccc(C(C)NCC#Cc2ccc(-c3nn[nH]n3)cc2)cc1,RBGMTTZKJAJHBZ-UHFFFAOYSA-N
rxn:2:127318:169412,Cc1csc(-c2ccc(CCC(C)NCC#Cc3cc(C)ncn3)cc2)c1,MZGYWLZCLWXNIP-UHFFFAOYSA-N
rxn:2:132002:172265,CC(NC1CC(C2CCN(C)CC2)C1)c1ccc(-c2ccc(-c3cccs3)s2)s1,DQQRISOJXVTDEJ-UHFFFAOYSA-N
rxn:2:146036:139599,Cc1ccc(-c2ccc(C(C)NCC3CC3c3ccc4[nH]c(=O)[nH]c4c3)s2)cc1,YAQOMKXEVZQJBU-UHFFFAOYSA-N
rxn:2:127463:107408,Cc1ccnc(C#CCCNC(C)c2ccc(-c3ccsc3)s2)n1,LUFXDVLWCLECLT-UHFFFAOYSA-N
rxn:2:146036:173095,CC(NCC1CC1c1ccc2[nH]c(=O)[nH]c2c1)c1ccc2sc3ccccc3c2c1,KZNCZFKFFLAEIB-UHFFFAOYSA-N
rxn:2:75341:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCOc3ccncc3)ccc1-2,KPHVSJVMEUPHQE-UHFFFAOYSA-N
rxn:2:83460:88359,CCC(NC(CC)c1nnn[nH]1)c1ccc(-c2cscc2C)cc1,JVIDPYSURWGALP-UHFFFAOYSA-N
rxn:2:141397:170940,CNC(C)c1ccc(-c2cc3cc(OC)ccc3o2)s1,MSEZMUHICXCXQH-UHFFFAOYSA-N
rxn:2:90799:90126,CC(NCCCc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccsc2)cn1,DAWYRGXSWXHLMT-UHFFFAOYSA-N
rxn:2:89311:91563,Cc1cc(-c2ccco2)ccc1C(C)NCc1cn[nH]c1,BFSBHYYLHKPCEF-UHFFFAOYSA-N
rxn:2:74168:170892,CC(NC1CC1c1c[nH]cn1)c1ccc(-c2cc3sccc3s2)s1,AMXQURJOGRWEPF-UHFFFAOYSA-N
rxn:2:167169:150298,Cc1cccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)cc2)n1,XGPZOJQGSZNRAR-UHFFFAOYSA-N
rxn:2:67624:91563,Cc1cc(-c2ccco2)ccc1C(C)NC1CN(c2cnccn2)C1,BUIPZZPHWFZLDC-UHFFFAOYSA-N
rxn:2:167169:169292,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cccc3ccoc23)cc1,MMOPHPYRQJLBTG-UHFFFAOYSA-N
rxn:2:145188:94543,Cc1cnc(-c2ccc(C(C)NCCC#Cc3ccc4c(=O)[nH]cnc4c3)s2)s1,BBQGGTJKMRVWBW-UHFFFAOYSA-N
rxn:2:84839:123403,COc1cc(C#CCNC(C)c2cc3ccc(C)cc3s2)ccn1,AZXZJGTZFZZGLH-UHFFFAOYSA-N
rxn:2:123785:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCCCc1ccc2[nH]cnc2c1,BTOIWYRDQZBDKR-UHFFFAOYSA-N
rxn:2:74972:167914,c1ccc2c3c(ccc2c1)CCC(NCc1nnn[nH]1)C3,GWLCLFSQLPHYNW-UHFFFAOYSA-N
rxn:2:121099:141988,Cc1cc(-c2ccc(C(C)NCC3CC3c3cnc4[nH]ccc4c3)s2)cs1,ZYRPUJXBXMIAJW-UHFFFAOYSA-N
rxn:2:128000:139886,CC(NCCCC1N=N1)c1ccc(-c2ccco2)cc1,KWUONFKEPJGLQI-UHFFFAOYSA-N
rxn:2:88848:108959,CC(NCCC#Cc1ncccn1)c1ccc(-c2cccs2)cc1,LCWOUNFADSUDPM-UHFFFAOYSA-N
rxn:2:110392:120822,Cc1ccc(-c2ccc(C(C)NCCc3n[nH]cc3C)cc2)s1,KJERFQCIXQGNQV-UHFFFAOYSA-N
rxn:2:100097:104467,CC(NC1CCC(CCN(C)C)CC1)c1csc2ccccc12,RRIGIACWQKYRCT-UHFFFAOYSA-N
rxn:2:97876:156984,COc1csc(-c2ccc(C(C)NCCC3CC3c3cccnc3)c(C)c2)c1,ROIQYLKUHWUNQW-UHFFFAOYSA-N
rxn:2:113326:107408,CC(NCCCCc1ccc2[nH]ccc2c1)c1ccc(-c2ccsc2)s1,TVBPCYOWJHZLIZ-UHFFFAOYSA-N
rxn:2:86811:87790,COc1cccc2c(C(C)NC3CCC(CC4CCN(C)C4)CC3)csc12,GUQHVGCGECLIQH-UHFFFAOYSA-N
rxn:2:102522:171392,COc1ccc(C#CCNC2CCC(c3csc4ccccc34)CC2)nn1,TYBRSXVHPDUPQS-UHFFFAOYSA-N
rxn:2:110352:169400,CCNC(CC)c1ccc(-c2ccc(C)s2)cc1C,XWAQACPIHWCOEY-UHFFFAOYSA-N
rxn:2:160401:70812,O=c1[nH]c2ncc(C#CCCNC3CCC(c4ccccc4)CC3)cc2o1,XJEFVOMDSYEAPU-UHFFFAOYSA-N
rxn:2:73749:95635,FC1CC(c2ccccc2)CCC1NCCC#Cc1cn[nH]c1,HVWUVXMJNBMMLC-UHFFFAOYSA-N
rxn:2:141695:94314,CSCCC(NC(C)c1csc2c(C)cccc12)c1nnn[nH]1,UYUBQDNLKPVWFD-UHFFFAOYSA-N
rxn:2:132002:87722,CCOc1ccc(C(C)NC2CC(C3CCN(C)CC3)C2)cc1C,AUSXWJQKAZKHPS-UHFFFAOYSA-N
rxn:2:164315:159692,O=c1[nH]c(=O)c2cc(C#CCCNC3CCc4cc(-c5cccs5)ccc43)ccc2[nH]1,UJUUQVUMLONJLQ-UHFFFAOYSA-N
rxn:2:122923:146533,CC(NCCCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccc3cnoc3c2)s1,XVLUKZOIWYAEJG-UHFFFAOYSA-N
rxn:2:73728:117327,Cc1ccc(C)c(CCC(NC2CC2)C2CCCC2)c1,OZGHXOIEDKSZRP-UHFFFAOYSA-N
rxn:2:138457:67655,CC(NCC#Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2ccccc2)cc1,YXYBVZQGXKHBMS-UHFFFAOYSA-N
rxn:2:113171:172189,Cc1cc(-c2ccc(C3CCC(NCCCc4cnn[nH]4)CC3)cc2)cs1,QFSCHUGBVNJYRS-UHFFFAOYSA-N
rxn:2:128535:91563,CCCCCNC(C)c1ccc(-c2ccco2)cc1C,XYQWAFRTXDHJFP-UHFFFAOYSA-N
rxn:2:91999:171492,COCCO[C@H]1C[C@H](NC(C)c2ccc(-c3cc4ccccc4s3)cc2)C1,NJJDOZBNSSGXFZ-USEYMLRUSA-N
rxn:2:140875:107408,CC(NCC1CC1c1cnc2[nH]ncc2c1)c1ccc(-c2ccsc2)s1,POGMWMABILQWFT-UHFFFAOYSA-N
rxn:2:97543:171246,Cc1cc(-c2ccc(-c3ccco3)cc2)ccc1C(C)NCCc1nnn[nH]1,QVLUZOLTCJDWGY-UHFFFAOYSA-N
rxn:1:45601:5297,Cc1cccc(O)c1C=CCCn1cc(Cn2nnnc2CN2CCOCC2)nn1,GFQCMPUHXONETG-UHFFFAOYSA-N
rxn:2:120447:67686,CCC(F)CNC(CN1CC1)c1cccc(OC)c1,TYNFBPNTRSAUOD-UHFFFAOYSA-N
rxn:2:112020:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3ccc4[nH]nnc4c3)cc2)cs1,ZPZSTKMIQJQNOG-UHFFFAOYSA-N
rxn:2:118157:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCS(=O)(=O)c1cn[nH]c1,USVLOQGORHRJGF-UHFFFAOYSA-N
rxn:2:121911:88103,COCC(Nc1ccn[nH]c1=S)c1cc2ccccc2s1,DMIPXXWWBKFGIV-UHFFFAOYSA-N
rxn:2:145188:128669,Cc1ccc(C2CCC(NCCC#Cc3ccc4c(=O)[nH]cnc4c3)CC2)cc1,QIZWULKCAFSVSV-UHFFFAOYSA-N
rxn:2:166241:112875,O=c1[nH]c(=O)c2cc(C#CCNC3CC(C#Cc4cccs4)C3)ccc2[nH]1,CGXPVDNQCMIEJR-UHFFFAOYSA-N
rxn:2:140979:124273,CC(NC1CCN(c2ncccn2)CC1)c1ccc(-c2cnsc2)s1,CMZRMFJYDVWRJB-UHFFFAOYSA-N
rxn:2:76440:127220,Cc1ccc(CCCCNC(C)c2csc(-c3ccc(C)s3)c2)nn1,BELVUIMSVMPJMQ-UHFFFAOYSA-N
rxn:2:69444:160916,CN1CCN(c2ccc(CCNC3CCN(c4ccc5sccc5c4)CC3)cc2)CC1,PBFFLETUXUFGEM-UHFFFAOYSA-N
rxn:2:139209:156549,CCC(Nc1n[nH]c(=O)[nH]1)c1ccc2cc(C)ccc2c1,PXJWHAMONMUUQK-UHFFFAOYSA-N
rxn:2:95901:142183,N=CCNCCc1ccc2sccc2c1,JVWCOHMFPHVGIS-UHFFFAOYSA-N
rxn:2:138255:103126,Cc1cccc(C2CC(N[C@H]3CC[C@@H](CCN(C)C)CC3)C2)c1,YBYQSRUBMUAGJJ-ORMVDOMOSA-N
rxn:2:136139:108959,Cc1nccc(C#CCNC(C)c2ccc(-c3cccs3)cc2)n1,QBAMFBRMTBJXTI-UHFFFAOYSA-N
rxn:2:68525:126659,COCc1cc(C#CCNC(C)c2cc3cc(C)ccc3s2)cs1,MPLCBXPDZIYXON-UHFFFAOYSA-N
rxn:2:100611:170892,CC(NCC#Cc1csc(CN2CCC2)c1)c1ccc(-c2cc3sccc3s2)s1,RUAAYEJQMMDSDP-UHFFFAOYSA-N
rxn:2:116296:155734,COc1ccc(-c2csc(C(C)NCCCc3nnc(C)o3)c2)c(C)c1,JSJODCMWERVHDH-UHFFFAOYSA-N
rxn:2:104030:127220,Cc1ccc(-c2cc(C(C)NCCC(C)c3cn[nH]c3)cs2)s1,OIWXLRNMYLLTAL-UHFFFAOYSA-N
rxn:2:120356:171392,Cc1nc(C#CCCNC2CCC(c3csc4ccccc34)CC2)c[nH]1,UCMGBAGVZXDGDP-UHFFFAOYSA-N
rxn:2:112208:171231,CCOc1cc(C)c(-c2csc(C(C)NCCSCc3cnccn3)c2)cc1C,HNIQAHRTVQVHTP-UHFFFAOYSA-N
rxn:2:81609:171231,CCOc1cc(C)c(-c2csc(C(C)NCCSc3nncn3C)c2)cc1C,MQBGCUIKIDPAID-UHFFFAOYSA-N
rxn:2:113575:85686,CC(NCCOc1ccc(-c2ncncn2)cc1)c1csc(-c2cccs2)c1,BQEPWVLDFDGPRM-UHFFFAOYSA-N
rxn:2:141397:170347,CC[C@]12CC[C@@H]3c4ccc(OC)cc4CC[C@H]3[C@@H]1CCC2NC,NCPUDLHWTATQBH-BKUVARHGSA-N
rxn:2:141695:94292,CCC(NC(CCSC)c1nnn[nH]1)c1ccc(-c2sccc2C)s1,FQUKBHDNDFAIIC-UHFFFAOYSA-N
rxn:2:89554:110041,CC(NCC#Cc1cnc2nc[nH]c2c1)c1csc(-c2ccsc2)c1,UQURSLREZHMQNN-UHFFFAOYSA-N
rxn:2:136508:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3nc[nH]n3)cc2)cs1,QFNDQDDUUPJNFZ-UHFFFAOYSA-N
rxn:2:127713:170060,Cc1cc(-c2ccc(CCC(C)NCCC3CC3c3cnn(C)c3)cc2)cs1,ZWSAHJKPIMBNDW-UHFFFAOYSA-N
rxn:2:66069:67686,COc1cccc(C(CN2CC2)NC2CCCC23CC3)c1,LEQIADFPZLXZAO-UHFFFAOYSA-N
rxn:2:75399:170060,Cc1cc(-c2ccc(CCC(C)NCCc3ncn4c3CCCC4)cc2)cs1,PUYVOJBPDMOZOR-UHFFFAOYSA-N
rxn:2:70378:170411,CCSc1ccc(-c2ccc(C(C)NCCCCc3cc[nH]c3)c(C)c2)cc1,UNIRWBZQWSRTGS-UHFFFAOYSA-N
rxn:2:98374:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCCc3[nH]cnc3C)ccc1-2,OCRGPKZLTIIMRZ-UHFFFAOYSA-N
rxn:2:88097:96010,CC(NCCCc1cc2cncnn2c1)c1ccc(-c2ccsc2)cc1,SDLNPSDUIRKMQQ-UHFFFAOYSA-N
rxn:2:166241:68807,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ccc3[nH]c(=O)[nH]c(=O)c3c2)s1,BUDFFXDVRMNSES-UHFFFAOYSA-N
rxn:2:74177:169666,Cc1nnc(SCCCNC(C)c2cc(-c3ccc(-c4cccnc4)cc3)cs2)s1,DGMWKWQAFLWROE-UHFFFAOYSA-N
rxn:2:135415:169286,Cc1ccc2sc(-c3cccc(C(C)NCCCCc4c[nH]c(C)n4)c3)cc2c1,LIXTVZRVBMUVOR-UHFFFAOYSA-N
rxn:2:73951:172388,O=c1cc(NC(c2ccc(-c3ccc(-c4ccco4)cc3)cc2)C2CC2)cn[nH]1,RBPHGDNWWOPWGR-UHFFFAOYSA-N
rxn:2:97900:143660,CC(Nc1n[nH]c2[nH]ncc12)c1cc2c(ccc3ccccc32)o1,SXLNOILHVXEJRL-UHFFFAOYSA-N
rxn:2:133535:120181,COc1cccc(C#CCCNC(C)c2ccc(-c3ccsn3)cc2)c1,OSDMNKMXMOTRRS-UHFFFAOYSA-N
rxn:2:77440:169785,Cc1ccc2sc(-c3cccc(C(C)Nc4cnon4)n3)cc2c1,GWZXDFGTQMDBBG-UHFFFAOYSA-N
rxn:2:167169:83197,O=c1[nH]c2ccc(C#CCNC3CCC(Sc4cccs4)CC3)cc2s1,ZBDDUEAQBDRKCR-UHFFFAOYSA-N
rxn:2:73738:170892,CC(NCCC#Cc1cnc2[nH]ncc2c1)c1ccc(-c2cc3sccc3s2)s1,ZWIROTLRXZJWCZ-UHFFFAOYSA-N
rxn:2:84123:126659,Cc1ccc2sc(C(C)NCCCCC3(C)N=N3)cc2c1,LHQOXUSNCPBTGE-UHFFFAOYSA-N
rxn:2:119089:142183,Cc1cccc2c(C[C@@H](CC(C)C)NCC=N)c[nH]c12,DPCRUIVLEXDVPX-OAHLLOKOSA-N
rxn:2:99084:171426,CCC(NCCCc1c[nH]nn1)c1ccc(-c2cc(C)c(OC)cc2C)s1,HHFOESNFFCVXNR-UHFFFAOYSA-N
rxn:2:71072:116404,Cc1cccc2c1CCC(NC(C)Cc1cn[nH]c1)C2,GJZFCKRQYNNQNA-UHFFFAOYSA-N
rxn:2:93664:111147,CSc1ccc(C#CCCNC(C)c2ccc(-c3nccs3)cc2)cc1,XFZVCISUCYFKQI-UHFFFAOYSA-N
rxn:2:141397:171988,CNC(CCc1ccc(C)cc1)c1ccc(C)c(C)c1,RKGCLZLJIKPICY-UHFFFAOYSA-N
rxn:1:61996:11984,NCCc1ccc(-c2cn(C3[C@H](Oc4ccc([N+](=O)[O-])cc4F)OC(CO)[C@H](O)[C@@H]3O)nn2)cc1,DSZJKIAIURDWNU-ARDNKUOLSA-N
rxn:2:104781:68807,COc1cc(CCCNC(C)c2ccc(-c3sccc3C)s2)on1,WLZQLJGDQLAUGP-UHFFFAOYSA-N
rxn:2:91885:169412,Cc1csc(-c2ccc(CCC(C)NC3(c4nn[nH]n4)CCCCCC3)cc2)c1,RUCHKXNSZJJDRR-UHFFFAOYSA-N
rxn:2:105267:170060,COc1cnc(C2(CNC(C)CCc3ccc(-c4csc(C)c4)cc3)CC2)cn1,YZCUZWOXRFDOFG-UHFFFAOYSA-N
rxn:2:102522:156984,COc1csc(-c2ccc(C(C)NCC#Cc3ccc(OC)nn3)c(C)c2)c1,MUVYWPLRBBPQSG-UHFFFAOYSA-N
rxn:2:94402:94314,Cc1cccc2c(C(C)NCC3CCC(CN4CCCC4)CC3)csc12,BPQGFSQLYXVSEN-UHFFFAOYSA-N
rxn:2:126006:169412,Cc1csc(-c2ccc(CCC(C)NCCCN(C)c3ncccn3)cc2)c1,IOHYOZJIIRCQQV-UHFFFAOYSA-N
rxn:2:144636:146533,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccc3cnoc3c2)s1,VMNNZKLNKSWURQ-UHFFFAOYSA-N
rxn:2:83579:172317,CCSc1ccc(-c2ccc(C(CC)NCCCc3nn[nH]n3)cc2)cc1,LILWMUDHLCSHOF-UHFFFAOYSA-N
rxn:2:92382:147513,CC(Nc1cn[nH]c1)c1ccc(-c2c[nH]c3ccncc23)s1,VBCHMPOZSJNBEO-UHFFFAOYSA-N
rxn:2:89902:77963,CC(NC1CCc2cn[nH]c21)c1ccc(-c2cccs2)s1,OPILGRYPNZKBFG-UHFFFAOYSA-N
rxn:2:94616:87790,CCc1cc(OC2CCC(NC(C)c3csc4c(OC)cccc34)CC2)ncn1,DQZJCTGXAGBHRG-UHFFFAOYSA-N
rxn:2:127440:173095,CC(Nc1cnns1)c1ccc2sc3ccccc3c2c1,FHWPXDGWZYLZRJ-UHFFFAOYSA-N
rxn:2:72890:108959,CC(NCCCCc1c[nH]cn1)c1ccc(-c2cccs2)cc1,CJGZTBSGNXPTKM-UHFFFAOYSA-N
rxn:2:139637:169340,CC(NCc1nnco1)c1ccc(-c2cc3ccccc3s2)s1,GZIHBXJBPFOHSK-UHFFFAOYSA-N
rxn:2:97024:156984,COc1csc(-c2ccc(C(C)NCCC#Cc3cscn3)c(C)c2)c1,CJKGHLCUPJMVDX-UHFFFAOYSA-N
rxn:2:75840:141889,Cc1cccc(C2CCC(NCC#Cc3ccsc3)CC2)c1,RZNWONDDUIZQGJ-UHFFFAOYSA-N
rxn:2:68525:71323,COCc1cc(C#CCNC(C)c2ccc3nscc3c2)cs1,IDYBPWQSHNZWSC-UHFFFAOYSA-N
rxn:2:76500:88330,Cc1cccc(C(CCN(C)C)Nc2csc3c2CSC3)c1,SYECRDBIGZPAAM-UHFFFAOYSA-N
rxn:2:132998:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NCc1ccc(-c2ccc(=O)[nH]c2)cc1,LGLMKBWTPACZNB-UHFFFAOYSA-N
rxn:2:149481:141988,Cc1cc(-c2ccc(C(C)NCC3CC3c3cnc4[nH]c(=O)oc4c3)s2)cs1,LZLXIMFTEVLSJV-UHFFFAOYSA-N
rxn:2:76500:91624,CN(C)CCC(Nc1csc2c1CSC2)c1ccccc1,MQSMIKUJRUHKRH-UHFFFAOYSA-N
rxn:2:92934:68807,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ccc3[nH]nnc3c2)s1,ADWQHYFSSJWBIQ-UHFFFAOYSA-N
rxn:2:77397:170892,CC(NCCCc1nnc(-c2ccc(=O)[nH]n2)o1)c1ccc(-c2cc3sccc3s2)s1,XIKLOBUUZGZCND-UHFFFAOYSA-N
rxn:2:72583:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3[nH]cnc3C)cc2)cs1,OOWBOIAYANYQBV-UHFFFAOYSA-N
rxn:2:140720:142192,CC(NCC#Cc1csc(Cn2cccn2)c1)c1ccc(-c2cccs2)cn1,CAIQDQXFZVJKDX-UHFFFAOYSA-N
rxn:2:117046:171648,CC#CCNC(C)c1ccc(-c2ccc3sccc3c2)o1,PQFLMEQQNKLECQ-UHFFFAOYSA-N
rxn:2:85140:107408,CC(CNC(C)c1ccc(-c2ccsc2)s1)COC1CCN(C)CC1,RNCXPGBNHXJHEP-UHFFFAOYSA-N
rxn:2:124422:70192,Cc1ccc(OCCC(C)NCc2csnn2)c(C)c1,YYYDSGNRUHJULH-UHFFFAOYSA-N
rxn:2:150747:155258,O=c1[nH]c2ccc(C#CCNC3CCc4cc(-c5ccco5)ccc43)cc2[nH]1,GSGXDFQISVDZDF-UHFFFAOYSA-N
rxn:2:110352:156047,CCNC(Cc1cnccn1)c1ccc2cc(C)ccc2c1,NRTVJNURDHAAPS-UHFFFAOYSA-N
rxn:2:91097:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCCc1cncnc1,DQUVOKBBMWLGDZ-UHFFFAOYSA-N
rxn:2:144636:171392,O=c1[nH]c2ccc(C#CCCNC3CCC(c4csc5ccccc45)CC3)cc2[nH]1,BYOLDOXDWCVLIT-UHFFFAOYSA-N
rxn:2:139105:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCC#Cc1ncc[nH]1,PFPOXYNFUNRYLJ-UHFFFAOYSA-N
rxn:2:123413:117186,CC(NCCC#Cc1ccc(S(=O)(=O)F)cc1)c1ccc2sccc2c1,WBGRUGSZIAHLBN-UHFFFAOYSA-N
rxn:2:102522:171069,COc1ccc(C#CCNC(C)c2ccc(-c3csc4ccccc34)cc2)nn1,VMYNWEKUOUOSCO-UHFFFAOYSA-N
rxn:2:109895:169412,Cc1csc(-c2ccc(CCC(C)NCCC3CC3c3nccn3C)cc2)c1,SPQKBABBCKTLRT-UHFFFAOYSA-N
rxn:2:120936:146828,CSCC(NCCn1nccn1)c1ccc2cc(C)ccc2c1,SJNNDDILEBNTNR-UHFFFAOYSA-N
rxn:2:102636:96010,COCCOC1CCC(NC(C)c2ccc(-c3ccsc3)cc2)CC1,QLRFIUOYTKVHIF-UHFFFAOYSA-N
rxn:2:95901:148296,CS(=O)(=O)c1ccc(C2CCC(NCCc3ccc4sccc4c3)CC2)cc1,PJMXOXLOPIXYHQ-UHFFFAOYSA-N
rxn:2:165559:120181,CC(NCC#Cc1ccc2nc[nH]c(=O)c2c1)c1ccc(-c2ccsn2)cc1,OOPYEXINNNYFLU-UHFFFAOYSA-N
rxn:1:60111:31577,O=Cc1ccc(-c2cn(I)nn2)cc1Cl,MIIOIAIWPJUXJE-UHFFFAOYSA-N
rxn:2:77560:147513,CC(Nc1cnoc1)c1ccc(-c2c[nH]c3ccncc23)s1,YHFIWWXGIHDWSX-UHFFFAOYSA-N
rxn:2:129993:169412,Cc1csc(-c2ccc(CCC(C)NCCC(C)S(C)(=O)=O)cc2)c1,JRYRHNHZAAEGJC-UHFFFAOYSA-N
rxn:2:72595:67686,COc1cccc(C(CN2CC2)Nc2cccc3c2CCC3)c1,CGVJOHDFGUAOMN-UHFFFAOYSA-N
rxn:2:114213:150766,C=C=Cc1ccc2scc(C(C)Nc3c[nH][nH]c3=O)c2c1,UPKWQXRRGCKENT-UHFFFAOYSA-N
rxn:2:110247:102373,Cc1ccc(C2CC(NCC#Cc3cccc(S(C)(=O)=O)c3)C2)s1,ICIHDMZTRQGYQA-UHFFFAOYSA-N
rxn:2:130059:141988,CCOCc1cc(N2CCC(NC(C)c3ccc(-c4csc(C)c4)s3)CC2)ncn1,SIMMGJRRXQNYTR-UHFFFAOYSA-N
rxn:2:104572:107408,CC(NCCC#Cc1ccc(-c2c[nH]cn2)cc1)c1ccc(-c2ccsc2)s1,NCOUZOBUUAUOGI-UHFFFAOYSA-N
rxn:2:89311:109025,Cc1csc(-c2cc(C(C)NCc3cn[nH]c3)cs2)c1,SKXWCWWAOTYZJO-UHFFFAOYSA-N
rxn:2:110352:169560,CCNC(CCC(C)C)c1c[nH]c2c(CC)cccc12,XKSIZOMBPRBXRZ-UHFFFAOYSA-N
rxn:2:132998:111147,CC(NCc1ccc(-c2ccc(=O)[nH]c2)cc1)c1ccc(-c2nccs2)cc1,FFEPFCFNGXCHHJ-UHFFFAOYSA-N
rxn:2:76089:170060,Cc1ccnc(CCCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)n1,SAGGMIAVERSTSL-UHFFFAOYSA-N
rxn:2:135654:146828,CSCC(Nc1cnc[nH]1)c1ccc2cc(C)ccc2c1,MLFPCJZKWPVKHA-UHFFFAOYSA-N
rxn:2:139123:107408,CC(NCC#Cc1ccc2ocnc2c1)c1ccc(-c2ccsc2)s1,SYLVOADGSITERZ-UHFFFAOYSA-N
rxn:2:141397:172397,CNC(c1ccccc1)c1ccc2c(c1)Cc1ccccc1-2,RPOAAVWIXAWRCZ-UHFFFAOYSA-N
rxn:2:138508:95801,Cc1cc(C(C)NCC#Cc2ccccc2)ccc1-c1cc[nH]c1,PODYVQBUSMDQLY-UHFFFAOYSA-N
rxn:2:78520:67686,CCc1ccccc1NC(CN1CC1)c1cccc(OC)c1,LVHHZUXTUQUORO-UHFFFAOYSA-N
rxn:2:139218:173095,CC(NCC#Cc1cnn(-c2cnccn2)c1)c1ccc2sc3ccccc3c2c1,KXDYDXKOGPNVBN-UHFFFAOYSA-N
rxn:2:124693:123265,CCC(Cc1ccc(C)cc1)NCC(C)c1nnn[nH]1,UZTNESORFWZYEU-UHFFFAOYSA-N
rxn:2:103172:170060,Cc1cc(-c2ccc(CCC(C)NC[C@@H]3CC[C@H]3c3cnn[nH]3)cc2)cs1,AONASHKJYQNVQJ-PLIICFKJSA-N
rxn:2:96968:127220,Cc1ccc(-c2cc(C(C)NCC#Cc3cc4cn[nH]c4cn3)cs2)s1,QOYNFVILZPJGDU-UHFFFAOYSA-N
rxn:2:121663:120822,Cc1ccc(-c2ccc(C(C)NC(C)c3cn[nH]c3)cc2)s1,OGSKUZIKXKQAFJ-UHFFFAOYSA-N
rxn:2:116707:146828,COc1cc(NC(CSC)c2ccc3cc(C)ccc3c2)on1,IDLMIFUVZJUYQX-UHFFFAOYSA-N
rxn:2:137816:172709,CSc1ncc(C#CCNC(C)c2ccc(-c3coc4ccccc34)cc2)cn1,KBAUOSYKKQCAJP-UHFFFAOYSA-N
rxn:2:128153:127220,Cc1ccc(-c2cc(C(C)NCc3onc4ncoc34)cs2)s1,AFGUIUXWQYESIQ-UHFFFAOYSA-N
rxn:2:123413:143698,O=S(=O)(F)c1ccc(C#CCCNC2CC(c3ccc4ccccc4c3)C2)cc1,CDRCUPRGVQJIEV-UHFFFAOYSA-N
rxn:2:108230:170060,Cc1cc(N2CC[C@@H](NC(C)CCc3ccc(-c4csc(C)c4)cc3)C2)ncn1,NZYMLIFMPSPMHL-IRCUZVAFSA-N
rxn:2:164371:112875,O=c1[nH]c(-c2cccnc2)ccc1CNC1CC(C#Cc2cccs2)C1,VYLZKVZPPOYUOS-UHFFFAOYSA-N
rxn:2:135811:172618,CC(NCCOc1cn[nH]c1)c1cc(-c2cc3sccc3s2)cs1,REOZCRNNCJRSBW-UHFFFAOYSA-N
rxn:2:70411:169340,CC(NCC1CC1c1cnc2cc[nH]c2c1)c1ccc(-c2cc3ccccc3s2)s1,PJCNWWLVDCHGJE-UHFFFAOYSA-N
rxn:2:112350:153414,Cc1cc(-c2ccccc2)ccc1C(C)NCCC#Cc1cnn(C)c1,XACHFEAQZXORMC-UHFFFAOYSA-N
rxn:2:128825:78538,Cc1ccsc1-c1ccc(C(C)NCCCc2cc[nH]c2)cc1,VTRWKGFMDCCDEO-UHFFFAOYSA-N
rxn:2:74168:120822,Cc1ccc(-c2ccc(C(C)NC3CC3c3c[nH]cn3)cc2)s1,HQYZXOWEDKIETQ-UHFFFAOYSA-N
rxn:2:93710:110041,COCC#Cc1ccc(CNC(C)c2csc(-c3ccsc3)c2)cn1,MCROPAXOXLWRHZ-UHFFFAOYSA-N
rxn:2:91885:70192,Cc1ccc(OCCC(C)NC2(c3nn[nH]n3)CCCCCC2)c(C)c1,ANNUMEYWCZECDY-UHFFFAOYSA-N
rxn:2:102522:170892,COc1ccc(C#CCNC(C)c2ccc(-c3cc4sccc4s3)s2)nn1,PVYIVSNTNAEAJT-UHFFFAOYSA-N
rxn:2:92382:161103,CC(Nc1cn[nH]c1)c1ccc2c(c1)Cc1ccccc1-2,JENLNXWWFXUQFB-UHFFFAOYSA-N
rxn:2:141679:139886,CC(NCCOc1cccc(S(C)(=O)=O)c1)c1ccc(-c2ccco2)cc1,KHGBTJDNILFFPI-UHFFFAOYSA-N
rxn:2:114168:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCOc3cc[nH]n3)c2)cc1C,YQSNLCIMIFWMNL-UHFFFAOYSA-N
rxn:2:114204:172494,CC(NCC#Cc1cnccn1)c1cc(-c2ccc(-c3ccncc3)cc2)cs1,LSEIXMZGZUCFSL-UHFFFAOYSA-N
rxn:2:141847:155104,CN(C)C(Cc1ccccc1)C(Nn1cnnn1)c1cc2ccccc2o1,KKYHUBVHVBSFFD-UHFFFAOYSA-N
rxn:2:122955:171231,CCOc1cc(C)c(-c2csc(C(C)NCCSc3cccnc3)c2)cc1C,DVDIUQIZJQMVCC-UHFFFAOYSA-N
rxn:2:102889:96010,CCCN1CCC(CCNC(C)c2ccc(-c3ccsc3)cc2)CC1,JYCHSOCZEUIEPY-UHFFFAOYSA-N
rxn:2:70210:91563,Cc1cc(-c2ccco2)ccc1C(C)N[C@@H](C)c1cnco1,SCTVOXHQCHMTDX-KZUDCZAMSA-N
rxn:2:92382:169594,CC(Nc1cn[nH]c1)c1ccc2c(ccc3ccccc32)c1,VPROFSYGSGDLCE-UHFFFAOYSA-N
rxn:2:82607:91563,Cc1cc(-c2ccco2)ccc1C(C)NC(C)c1cnco1,SCTVOXHQCHMTDX-UHFFFAOYSA-N
rxn:2:156072:169594,CC(NCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc2c(ccc3ccccc32)c1,ZBUCHAZVINLBEM-UHFFFAOYSA-N
rxn:2:141819:172618,CC(NCCc1n[nH]c(=O)o1)c1cc(-c2cc3sccc3s2)cs1,TXCMXOJZARLHQL-UHFFFAOYSA-N
rxn:2:80519:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCCc1c[nH]c(=S)[nH]1,NLNFLSPGMFQCRW-UHFFFAOYSA-N
rxn:2:139637:68807,Cc1ccsc1-c1ccc(C(C)NCc2nnco2)s1,SQLHPNPQNHNGKL-UHFFFAOYSA-N
rxn:2:139930:108959,CC(NCCc1cnc(-c2ccncc2)nc1)c1ccc(-c2cccs2)cc1,FDZXANLRYRHICH-UHFFFAOYSA-N
rxn:2:113894:91563,Cc1cc(-c2ccco2)ccc1C(C)NC1CCc2[nH]ncc21,LXQAXAMVXSDBLF-UHFFFAOYSA-N
rxn:2:106940:169400,CCC(NCCc1ncno1)c1ccc(-c2ccc(C)s2)cc1C,HJBQECKCNPAZBP-UHFFFAOYSA-N
rxn:2:97332:70831,CC(NC1CCC(CCOS(C)(=O)=O)C1)c1ccc(-c2cccs2)cn1,FVKPQZRSJMTEMJ-UHFFFAOYSA-N
rxn:2:113426:170892,CC(NCc1ccc(-c2ccc(=O)[nH]n2)cc1)c1ccc(-c2cc3sccc3s2)s1,USTIONJYHMYMTD-UHFFFAOYSA-N
rxn:2:94862:170892,CC(NCc1cc(=O)[nH][nH]1)c1ccc(-c2cc3sccc3s2)s1,OVDMCAUVJNKACT-UHFFFAOYSA-N
rxn:2:141397:170288,CCCOc1ccc(-c2csc(C(C)NC)c2)cc1,VEBLTHUCYKYRGH-UHFFFAOYSA-N
rxn:2:99849:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCOCc1c[nH]cn1,HJJYFWOBDZKCSK-UHFFFAOYSA-N
rxn:2:94771:83009,CC(Nn1cnnc1)c1cc2ccccc2s1,KJZWNROIASDJTA-UHFFFAOYSA-N
rxn:2:162493:138996,Cc1cc(C(C)NCC#Cc2ccc3c(=O)[nH]cnc3c2)ccc1-c1nccs1,YHBRPMIBWIJMGM-UHFFFAOYSA-N
rxn:2:88848:169666,CC(NCCC#Cc1ncccn1)c1cc(-c2ccc(-c3cccnc3)cc2)cs1,QGQMZWDFXPSDLU-UHFFFAOYSA-N
rxn:2:107531:114519,Cc1sccc1-c1ccc(C(C)NCc2nn[nH]n2)cc1,JHCAASIHBBNAPR-UHFFFAOYSA-N
rxn:2:113426:120181,CC(NCc1ccc(-c2ccc(=O)[nH]n2)cc1)c1ccc(-c2ccsn2)cc1,VEZWLJMCIPCNDT-UHFFFAOYSA-N
rxn:1:60111:28048,NCCC=Cc1ccc(-c2cn(I)nn2)cc1,HPGHHPAZZXMEMP-UHFFFAOYSA-N
rxn:2:91597:169851,CSc1ccc(-c2ccc(C(C)NCCCc3ncco3)cc2)cc1,CJKLWTPGXQIRFW-UHFFFAOYSA-N
rxn:2:137816:68807,CSc1ncc(C#CCNC(C)c2ccc(-c3sccc3C)s2)cn1,DAXRKQKNEXGHMG-UHFFFAOYSA-N
rxn:2:88848:78538,Cc1ccsc1-c1ccc(C(C)NCCC#Cc2ncccn2)cc1,GJBFBZKIQILRNA-UHFFFAOYSA-N
rxn:2:138076:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCCc1ccon1,CBWALEACFGRYDJ-UHFFFAOYSA-N
rxn:2:106307:108959,CC(NCC#Cc1cnn(C2CCOCC2)c1)c1ccc(-c2cccs2)cc1,VXYKIQILGSBCFU-UHFFFAOYSA-N
rxn:2:162493:99690,Cc1c[nH]c2cc(C(C)NCC#Cc3ccc4c(=O)[nH]cnc4c3)ccc12,AWZZWYWNXXWBDW-UHFFFAOYSA-N
rxn:2:109412:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3ccc4nccn4n3)cc2)s1,MMRVIOOOYVSUPM-UHFFFAOYSA-N
rxn:2:82519:169851,CSc1ccc(-c2ccc(C(C)NCCC3CC3c3c[nH]c(C)n3)cc2)cc1,BIFGROCMYWZSGH-UHFFFAOYSA-N
rxn:2:71347:122855,CC(NCCC#Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2cccs2)s1,UXSSIQQDVHUYIR-UHFFFAOYSA-N
rxn:2:139209:97563,CCOc1ccc(C(CC)Nc2n[nH]c(=O)[nH]2)cc1C,VYEBWFCHVOBFGE-UHFFFAOYSA-N
rxn:2:98374:169666,Cc1nc[nH]c1CCCCNC(C)c1cc(-c2ccc(-c3cccnc3)cc2)cs1,VYWDJHMKSOZEHX-UHFFFAOYSA-N
rxn:2:87971:169851,CSc1ccc(-c2ccc(C(C)N[C@H]3CC[C@H](CCN(C)C)CC3)cc2)cc1,SZCWXKVVJPWXFF-SXKCCWGOSA-N
rxn:2:106758:67202,CCC(N[C@@H](C)c1ccc(-c2cccs2)cc1)c1cnco1,CORVTEHNNRLJCA-KNVGNIICSA-N
rxn:2:72583:82123,CCC(NCCCc1[nH]cnc1C)C(C)Cc1ccc(C)cc1C,ZSOZLWQAAMYVAC-UHFFFAOYSA-N
rxn:2:84697:170060,COCC(CNC(C)CCc1ccc(-c2csc(C)c2)cc1)c1cnccn1,PKYDWVPEKGPBFZ-UHFFFAOYSA-N
rxn:2:104781:170235,COc1cc(CCCNC(C)c2cc3cc(-c4cccc(C)c4)ccc3o2)on1,FNZWNKGKPSPMMR-UHFFFAOYSA-N
rxn:2:89554:68807,Cc1ccsc1-c1ccc(C(C)NCC#Cc2cnc3nc[nH]c3c2)s1,WXCXLRLXTOASQF-UHFFFAOYSA-N
rxn:2:123367:170060,CCC(CNC(C)CCc1ccc(-c2csc(C)c2)cc1)c1cc(C)ncn1,YYQGDUCDIWQFBA-UHFFFAOYSA-N
rxn:2:67140:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3cnc(N(C)C)nc3)cc2)c1,NWKBRSHIYFEJBF-UHFFFAOYSA-N
rxn:2:92055:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCCSc1ccccn1,HIKGCSRTOVNGES-UHFFFAOYSA-N
rxn:2:78571:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)Nc1cc[nH]c(=S)c1,JBIAMFPGDXFMMW-UHFFFAOYSA-N
rxn:2:137534:170892,CC(NCCc1nnco1)c1ccc(-c2cc3sccc3s2)s1,VGPRKUDVIWIEIX-UHFFFAOYSA-N
rxn:2:79392:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCCc3cn[nH]c3)ccc1-2,CZFYJSZICFKCDK-UHFFFAOYSA-N
rxn:2:95795:126659,Cc1ccc2sc(C(C)NCCCc3cnc(C)cn3)cc2c1,HNVJZHQRHDMSME-UHFFFAOYSA-N
rxn:2:135765:170892,CC(NCC#Cc1ccncc1)c1ccc(-c2cc3sccc3s2)s1,YDTWUKXGMNIKOG-UHFFFAOYSA-N
rxn:2:74737:170060,Cc1cc(-c2ccc(CCC(C)NCCC3CC3c3ccn(C)n3)cc2)cs1,DTHOCKUDYIGYSB-UHFFFAOYSA-N
rxn:2:139105:172076,C(#Cc1ncc[nH]1)CCNC1CCC(c2nc(-c3cccs3)cs2)CC1,RCPGZADFNMEJTF-UHFFFAOYSA-N
rxn:2:87963:91563,Cc1cc(-c2ccco2)ccc1C(C)N[C@H](C)c1cnco1,SCTVOXHQCHMTDX-ARLHGKGLSA-N
rxn:2:91909:74293,COc1ccccc1C(CN1CC1)NCC#Cc1cscc1C,KXJFWSKYCYVMHC-UHFFFAOYSA-N
rxn:2:149915:124273,CC(NCCC#Cc1ccc2c(ccn2C)c1)c1ccc(-c2cnsc2)s1,QLIMANMVNNESRB-UHFFFAOYSA-N
rxn:2:130209:170858,Cc1csc(-c2ccc(C(C)NCCC#Cc3cnccn3)cc2C)c1,ZTEAHRYHLXYVKO-UHFFFAOYSA-N
rxn:2:113345:172189,Cc1cc(-c2ccc(C3CCC(NCCc4cnc5c(c4)nnn5C)CC3)cc2)cs1,OTDNPLMUZFJQNU-UHFFFAOYSA-N
rxn:2:66041:96010,CCCCCC1CCC(NC(C)c2ccc(-c3ccsc3)cc2)CC1,FZBOZTBKYSFLMO-UHFFFAOYSA-N
rxn:2:84646:97563,CCOc1ccc(C(CC)N[C@H]2CCC[C@H](F)C2)cc1C,IQEPAKYBRKXGNJ-PYNWJHIZSA-N
rxn:2:90327:173016,CC(NCCCc1cnc[nH]1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,VSKJRUMZMGZSSD-UHFFFAOYSA-N
rxn:2:95086:148296,CS(=O)(=O)c1ccc(C2CCC(NCCc3csc4ccccc34)CC2)cc1,CSLTTYLZIYLXJW-UHFFFAOYSA-N
rxn:2:135915:170060,Cc1cc(-c2ccc(CCC(C)NCCC3CC3c3[nH]cnc3C)cc2)cs1,MBANOKZMIFFQEZ-UHFFFAOYSA-N
rxn:2:68410:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCn3nccn3)ccc1-2,MQCBDTLOYAOCBX-UHFFFAOYSA-N
rxn:2:124198:90126,CC(NCCC#Cc1ccsc1)c1ccc(-c2ccsc2)cn1,BDKGCQFZDFVEGJ-UHFFFAOYSA-N
rxn:2:121028:120822,Cc1ccc(-c2ccc(C(C)NCCSc3cnccn3)cc2)s1,BQFRRLIIWSRTCA-UHFFFAOYSA-N
rxn:2:108076:173095,Cc1n[nH]cc1NC(C)c1ccc2sc3ccccc3c2c1,ZQBPBWGGFVFHKG-UHFFFAOYSA-N
rxn:2:73909:170060,Cc1cc(-c2ccc(CCC(C)N[C@H]3CCN(c4ccncn4)C3)cc2)cs1,LOOSNBWKDUGTIL-UGNFMNBCSA-N
rxn:2:116138:120822,Cc1ccc(-c2ccc(C(C)NCCC3CC3c3ncc[nH]3)cc2)s1,ZSCDZGFDNJBWHG-UHFFFAOYSA-N
rxn:1:65013:3096,NCCCCc1cccc(-c2cn(-c3cccc(I)c3)nn2)c1,OPLUDOTYHKCONR-UHFFFAOYSA-N
rxn:2:83484:154103,Cn1nncc1NC(c1cc[nH]c1)c1ccc2ccccc2c1,MBFCXKFPVMAFNB-UHFFFAOYSA-N
rxn:2:162493:70812,O=c1[nH]cnc2cc(C#CCNC3CCC(c4ccccc4)CC3)ccc12,DIGCDRUOYKQABL-UHFFFAOYSA-N
rxn:2:137534:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCCc1nnco1,NOGOGUGKVHKTCY-UHFFFAOYSA-N
rxn:2:89902:78392,COCCN(C)C1CCC(NC(C)c2ccc(-c3cccs3)s2)CC1,UIBPRVRPMLBNKU-UHFFFAOYSA-N
rxn:2:128738:168058,CCn1ccc(CCCNC(C)c2ccc3c(c2)CCc2cc(OC)ccc2-3)n1,HFJHPUZWWNAYOP-UHFFFAOYSA-N
rxn:2:88848:170060,Cc1cc(-c2ccc(CCC(C)NCCC#Cc3ncccn3)cc2)cs1,HAXIFGMXMXXELH-UHFFFAOYSA-N
rxn:2:67593:170060,Cc1cc(-c2ccc(CCC(C)NCC#Cc3cn[nH]c3)cc2)cs1,YBQCJCJFYCJDNW-UHFFFAOYSA-N
rxn:2:119514:152898,C[C@H](Cc1cnc[nH]1)NC1CCc2cc3ccccc3cc2C1,SCTUQNMSEJOBGX-MJTSIZKDSA-N
rxn:2:123785:88359,CCC(NCCCCc1ccc2[nH]cnc2c1)c1ccc(-c2cscc2C)cc1,DDGLTGVYLONGLE-UHFFFAOYSA-N
rxn:2:70084:88330,Cc1cccc(C(CCN(C)C)Nc2csc3c2CCCC3)c1,AOYOLLUVPARUHQ-UHFFFAOYSA-N
rxn:2:135125:108959,COc1ncc(C#CCNC(C)c2ccc(-c3cccs3)cc2)cn1,ZCNSVLVZBISDHK-UHFFFAOYSA-N
rxn:2:69695:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NC[C@@H]1C[C@H]1c1ccsc1,NEXJYQDDYGRTOJ-XHRKEWCOSA-N
rxn:2:69172:89191,CC(NC(C)c1c[nH]nn1)c1ccc2c(ccn2C)c1,SZABOGYMXFGWRM-UHFFFAOYSA-N
rxn:2:144636:139599,Cc1ccc(-c2ccc(C(C)NCCC#Cc3ccc4[nH]c(=O)[nH]c4c3)s2)cc1,VRAMFNUJTNGWIH-UHFFFAOYSA-N
rxn:2:135980:170060,Cc1cc(-c2ccc(CCC(C)NCCC3CCCc4c3ncn4C)cc2)cs1,WBTSDUGREGNFNG-UHFFFAOYSA-N
rxn:2:94771:70956,Cc1c(-c2cccs2)cccc1C(C)Nn1cnnc1,UGQXGZHOMXSRHP-UHFFFAOYSA-N
rxn:2:123413:141988,Cc1cc(-c2ccc(C(C)NCCC#Cc3ccc(S(=O)(=O)F)cc3)s2)cs1,HBCAZHLQRNDSDA-UHFFFAOYSA-N
rxn:2:86811:85686,CC(NC1CCC(CC2CCN(C)C2)CC1)c1csc(-c2cccs2)c1,MNWAIUYLTJUHRY-UHFFFAOYSA-N
rxn:2:92618:172618,CC(NCCn1cn[nH]c1=O)c1cc(-c2cc3sccc3s2)cs1,HCBNNRDJNVJAHJ-UHFFFAOYSA-N
rxn:2:113672:96010,CC(NCCC1CC1c1cc[nH]c1)c1ccc(-c2ccsc2)cc1,AOYKUGRQNIPBKC-UHFFFAOYSA-N
rxn:2:82511:159692,C(#Cc1ccc2[nH]cnc2c1)CCNC1CCc2cc(-c3cccs3)ccc21,LIVOAWMKTHZRAJ-UHFFFAOYSA-N
rxn:2:67593:171669,Cc1cc(-c2ccc(C(C)NCC#Cc3cn[nH]c3)cc2)c(C)s1,FLWOWDUOBDZQJD-UHFFFAOYSA-N
rxn:2:144636:156984,COc1csc(-c2ccc(C(C)NCCC#Cc3ccc4[nH]c(=O)[nH]c4c3)c(C)c2)c1,DSJAWBOSZANESZ-UHFFFAOYSA-N
rxn:2:160401:107956,Cc1ccc(-c2ccc(C(C)NCCC#Cc3cnc4[nH]c(=O)oc4c3)cc2)cc1,WBUXWVQFGPCNMK-UHFFFAOYSA-N
rxn:2:76440:169851,CSc1ccc(-c2ccc(C(C)NCCCCc3ccc(C)nn3)cc2)cc1,HMFYJFPTSRXGRS-UHFFFAOYSA-N
rxn:2:79366:98873,CCC[C@H](NC1CC1)c1ccc2ccccc2c1,FBNVYTNAFLGUJZ-KRWDZBQOSA-N
rxn:2:145188:77187,O=c1[nH]cnc2cc(C#CCCNC3CC(c4ccc5c(c4)CCO5)C3)ccc12,UMRHPURGEMEGGJ-UHFFFAOYSA-N
rxn:2:96304:108959,CC(NCCCc1cnc2ncnn2c1)c1ccc(-c2cccs2)cc1,YZDRJOWBHYPQQT-UHFFFAOYSA-N
rxn:2:123884:83817,Cc1ccccc1OCCC(C)NCc1ccsn1,ULBSHLGTLQDOPH-UHFFFAOYSA-N
rxn:2:141177:109025,Cc1csc(-c2cc(C(C)NCC#Cc3ncnc4[nH]ccc34)cs2)c1,YXNMLBIBICHUAS-UHFFFAOYSA-N
rxn:2:69172:113405,CC(NC(C)c1c[nH]nn1)c1ccc2c(c1)CCCC2,OIDNBTRPOBVQKN-UHFFFAOYSA-N
rxn:2:68525:102373,COCc1cc(C#CCNC2CC(c3ccc(C)s3)C2)cs1,DUKABBVFPIBAPJ-UHFFFAOYSA-N
rxn:2:109725:96010,CC(NC1CCC(n2nccn2)CC1)c1ccc(-c2ccsc2)cc1,SHQGWPKWWIYHIH-UHFFFAOYSA-N
rxn:2:68525:91511,COCc1cc(C#CCNC(C)c2csc(-c3ccc(C)o3)c2)cs1,SHNPFDZMQACITQ-UHFFFAOYSA-N
rxn:2:141544:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCCSc1ncn[nH]1,XLHFPWCTBFWHRO-UHFFFAOYSA-N
rxn:2:142786:120822,Cc1ccc(-c2ccc(C(C)NCC(C)CCc3ccc4[nH]c(=O)oc4c3)cc2)s1,YHTRBOAURQNICA-UHFFFAOYSA-N
rxn:2:70973:171231,CCOc1cc(C)c(-c2csc(C(C)NCC3CC3c3cnoc3)c2)cc1C,ZICJKAJLSWQBJI-UHFFFAOYSA-N
rxn:2:158858:173095,CC(NCC1CC1c1ccc2[nH]c(=O)oc2c1)c1ccc2sc3ccccc3c2c1,SPURQGIJXJYAHS-UHFFFAOYSA-N
rxn:2:69232:95801,Cc1cc(C(C)NCCCc2ccoc2)ccc1-c1cc[nH]c1,XOVBFOKFMUDLSX-UHFFFAOYSA-N
rxn:2:110247:124273,CC(NCC#Cc1cccc(S(C)(=O)=O)c1)c1ccc(-c2cnsc2)s1,IENOZNSLDXZKAO-UHFFFAOYSA-N
rxn:2:83637:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCC#CCN1CCCC1,ZATHBHUDTLJYCR-UHFFFAOYSA-N
rxn:2:114591:169851,CSc1ccc(-c2ccc(C(C)NCCCCc3cncn3C)cc2)cc1,QAKRMQSBFKVUQL-UHFFFAOYSA-N
rxn:2:167169:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NCC#Cc1ccc2[nH]c(=O)sc2c1,IARCDPDGQPQBBS-UHFFFAOYSA-N
rxn:2:84749:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC3c3ccc4[nH]cnc4c3)cc2)cs1,LXAJEKQPWKMQEA-UHFFFAOYSA-N
rxn:2:127086:171392,Cc1ncc(C#CCNC2CCC(c3csc4ccccc34)CC2)cn1,FODORNFSYRXJKG-UHFFFAOYSA-N
rxn:2:138457:120181,CC(NCC#Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2ccsn2)cc1,AVXYUYYEXJGTNB-UHFFFAOYSA-N
rxn:2:83604:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCC1N=N1,NJUUNOSTRXFMRQ-UHFFFAOYSA-N
rxn:2:137743:112875,C(#CC1CC(NCCCCc2ccsc2)C1)c1cccs1,OFHZNFAFWQMEMP-UHFFFAOYSA-N
rxn:2:110352:110310,CCCCC(NCC)c1ccc2ccccc2c1,JDOKSFHBPWHJEA-UHFFFAOYSA-N
rxn:2:97610:169412,Cc1csc(-c2ccc(CCC(C)NCC3CCc4cn[nH]c4C3)cc2)c1,LZDWOTFIIPNOMP-UHFFFAOYSA-N
rxn:2:124693:70956,Cc1c(-c2cccs2)cccc1C(C)NCC(C)c1nnn[nH]1,SJHXDWVMDFMNON-UHFFFAOYSA-N
rxn:2:76941:107408,CC(NCCCc1nc(-c2cnccn2)n[nH]1)c1ccc(-c2ccsc2)s1,BDLYUDPAHVAHEA-UHFFFAOYSA-N
rxn:2:92382:133871,CSCC(Nc1cn[nH]c1)c1ccc2c(c1)CCC2,VLNPNYDKJBMQDJ-UHFFFAOYSA-N
rxn:2:111404:108959,CC(NCC#Cc1cnn(CC2CCOC2)c1)c1ccc(-c2cccs2)cc1,GLMFIZYZEJQULU-UHFFFAOYSA-N
rxn:2:135610:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3ccc(=O)n(C)n3)cc2)c1,OXXAKDZARLLPTB-UHFFFAOYSA-N
rxn:2:141397:85686,CNC(C)c1csc(-c2cccs2)c1,OABGAHAAQCTIOG-UHFFFAOYSA-N
rxn:2:122468:96010,CC(NCCCCc1cscn1)c1ccc(-c2ccsc2)cc1,FZLFLBODEWCRMS-UHFFFAOYSA-N
rxn:2:150747:77974,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccccc2)s1,HJINVRZLGVGNTJ-UHFFFAOYSA-N
rxn:2:107481:92488,CCN(C)Cc1cc(C#CCNC(C)c2cc(-c3ccsc3)cs2)cs1,YZYUODPKQIYYOH-UHFFFAOYSA-N
rxn:2:114648:92488,CC(NCc1ccc(OCC2CCCN(C)C2)cc1)c1cc(-c2ccsc2)cs1,VRACWODZSZERCV-UHFFFAOYSA-N
rxn:2:95308:123403,Cc1ccc2cc(C(C)NCC#Cc3cnc4[nH]ccc4c3)sc2c1,GEELPMUOJJFIIO-UHFFFAOYSA-N
rxn:2:73585:94314,Cc1cccc2c(C(C)NCCCc3c[nH]cn3)csc12,USLJLWSBDTYDMJ-UHFFFAOYSA-N
rxn:2:77202:159692,c1csc(-c2ccc3c(c2)CCC3NCCCc2cn[nH]c2)c1,RWBWHEQMNGYEGS-UHFFFAOYSA-N
rxn:2:114204:171392,C(#Cc1cnccn1)CNC1CCC(c2csc3ccccc23)CC1,ZUOULLGHVNRLLW-UHFFFAOYSA-N
rxn:2:137816:163402,CSc1ncc(C#CCNC2CC(c3cccc4ccccc34)C2)cn1,FTDYHEJPSXBLBM-UHFFFAOYSA-N
rxn:2:97024:169851,CSc1ccc(-c2ccc(C(C)NCCC#Cc3cscn3)cc2)cc1,LQHPMULHBATOKR-UHFFFAOYSA-N
rxn:2:162493:94314,Cc1cccc2c(C(C)NCC#Cc3ccc4c(=O)[nH]cnc4c3)csc12,ODKLTOWWNSBFEH-UHFFFAOYSA-N
rxn:2:142139:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3cnn(C)c3C)cc2)c1,NBPBDUBDEGFYHZ-UHFFFAOYSA-N
rxn:2:84871:170060,Cc1cc(-c2ccc(CCC(C)NCCC3CC3c3cnccn3)cc2)cs1,DEHIALPMSACKHT-UHFFFAOYSA-N
rxn:2:139218:67655,CC(NCC#Cc1cnn(-c2cnccn2)c1)c1ccc(-c2ccccc2)cc1,KGRWVMWBWJHSGQ-UHFFFAOYSA-N
rxn:2:127318:114519,Cc1cc(C#CCNC(C)c2ccc(-c3ccsc3C)cc2)ncn1,UMBMSWOLGBQJTE-UHFFFAOYSA-N
rxn:2:112208:170411,CCSc1ccc(-c2ccc(C(C)NCCSCc3cnccn3)c(C)c2)cc1,GQYQAYUDOVRTPV-UHFFFAOYSA-N
rxn:2:118279:78538,Cc1ccsc1-c1ccc(C(C)NCCCc2cscn2)cc1,ZSNQTECSNYDGHZ-UHFFFAOYSA-N
rxn:2:141555:120822,Cc1ccc(-c2ccc(C(C)NC3CCC(CC4CCCN(C)C4)CC3)cc2)s1,AICRFFFKTHXIST-UHFFFAOYSA-N
rxn:2:135811:171231,CCOc1cc(C)c(-c2csc(C(C)NCCOc3cn[nH]c3)c2)cc1C,BXSFXBGHLLNEKZ-UHFFFAOYSA-N
rxn:2:130225:172375,CC(NCCc1cnco1)c1ccc(-c2cc3ccccc3o2)c2c1OCO2,VKSBUIBVIWMFFL-UHFFFAOYSA-N
rxn:2:70238:68807,Cc1ccsc1-c1ccc(C(C)NCCC#Cc2ccncc2)s1,DQMYPYICEJDVBK-UHFFFAOYSA-N
rxn:2:97900:109025,Cc1csc(-c2cc(C(C)Nc3n[nH]c4[nH]ncc34)cs2)c1,LEFANRWDBFMKDJ-UHFFFAOYSA-N
rxn:2:103177:171392,Cc1ccc(C#CCNC2CCC(c3csc4ccccc34)CC2)nc1,PDSJBDDSFCUIRO-UHFFFAOYSA-N
rxn:2:76625:170892,CC(NCCC#Cc1cnc[nH]1)c1ccc(-c2cc3sccc3s2)s1,UPUWXXPRUJZBEQ-UHFFFAOYSA-N
rxn:2:87876:96187,F[C@@H]1C[C@H](c2ccccc2)CCC1NCCC#Cc1cccs1,BGAOWJNSTQITPL-RIBPFEIKSA-N
rxn:2:94862:169412,Cc1csc(-c2ccc(CCC(C)NCc3cc(=O)[nH][nH]3)cc2)c1,DFQGEFAUDGBBPI-UHFFFAOYSA-N
rxn:2:131003:78104,CSCC(NC1Cc2cn[nH]c2C1)c1ccc(C)cc1C,RYXBJUCRWZGXOF-UHFFFAOYSA-N
rxn:2:139105:69508,CCC(NCCC#Cc1ncc[nH]1)c1ccc(-c2ccsc2)cc1,IBVONKGBKYSLOU-UHFFFAOYSA-N
rxn:2:141397:156047,CNC(Cc1cnccn1)c1ccc2cc(C)ccc2c1,JVMSQZVSVOUBIP-UHFFFAOYSA-N
rxn:2:130209:114519,Cc1sccc1-c1ccc(C(C)NCCC#Cc2cnccn2)cc1,OLVJHHAQDBJYRO-UHFFFAOYSA-N
rxn:2:106030:142183,N=CCNc1ccc(C#Cc2ccccc2)cc1,VKPIDMCLTZAFND-UHFFFAOYSA-N
rxn:2:77793:169851,CSc1ccc(-c2ccc(C(C)NCCCCc3cn[nH]c3C)cc2)cc1,MDTJDXKAIKHDBW-UHFFFAOYSA-N
rxn:2:68618:89838,Cc1nc2ccc(C(C)NCC#Cc3ccc(-c4c[nH]cn4)cc3)cc2s1,QUZBEYSKBBHENA-UHFFFAOYSA-N
rxn:2:77397:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3nnc(-c4ccc(=O)[nH]n4)o3)cc2)cs1,XHKDMWOVTFFARL-UHFFFAOYSA-N
rxn:2:87533:141988,Cc1cc(-c2ccc(C(C)NCC#Cc3cnc(-n4ccnc4)nc3)s2)cs1,MMJRMFNFHJAXDO-UHFFFAOYSA-N
rxn:2:92934:141988,Cc1cc(-c2ccc(C(C)NCC#Cc3ccc4[nH]nnc4c3)s2)cs1,CVOZUHFDRRFEMM-UHFFFAOYSA-N
rxn:2:127486:91563,Cc1cc(-c2ccco2)ccc1C(C)NC(C)c1nn[nH]n1,LAPOJGZBSNZBLF-UHFFFAOYSA-N
rxn:2:141204:111147,CC(NCCC#Cc1ccc2[nH]ccc2c1)c1ccc(-c2nccs2)cc1,KAIKBIRQGRJYHW-UHFFFAOYSA-N
rxn:2:112350:169412,Cc1csc(-c2ccc(CCC(C)NCCC#Cc3cnn(C)c3)cc2)c1,UMFOUGYNPACJNR-UHFFFAOYSA-N
rxn:2:89454:169412,Cc1csc(-c2ccc(CCC(C)NCCC3CC3c3cc[nH]n3)cc2)c1,UFINBMJFVYQJKE-UHFFFAOYSA-N
rxn:2:85140:108959,CC(CNC(C)c1ccc(-c2cccs2)cc1)COC1CCN(C)CC1,QDVJGOCQJOONQS-UHFFFAOYSA-N
rxn:2:101160:172375,CC(NC[C@H](C)F)c1ccc(-c2cc3ccccc3o2)c2c1OCO2,CXHXDNXCSQKZSN-UEWDXFNNSA-N
rxn:2:119266:122855,CC(NCCCCc1cnc2[nH]ccc2c1)c1ccc(-c2cccs2)s1,LAZPNCVSQPOHNI-UHFFFAOYSA-N
rxn:2:141397:172418,CNC(Cc1ccc2ccccc2n1)c1ccc(C)s1,HPZDKXXZGFSIJM-UHFFFAOYSA-N
rxn:2:91764:107956,COc1ccc(C#CCNC(C)c2ccc(-c3ccc(C)cc3)cc2)nc1,DXZPPZFCTFWPQP-UHFFFAOYSA-N
rxn:2:104064:107408,CC(NCc1ccc(C#CCn2cccn2)nc1)c1ccc(-c2ccsc2)s1,DYLOMZQYBDJWTA-UHFFFAOYSA-N
rxn:2:119168:85662,COCCC1CCC(NC(C)c2ccc(-c3ccsc3)s2)CC1,GTUFJFIZILRRLR-UHFFFAOYSA-N
rxn:2:124177:171231,CCOc1cc(C)c(-c2csc(C(C)NCCSc3nc(C)n[nH]3)c2)cc1C,BMXGRRVQERZGBU-UHFFFAOYSA-N
rxn:2:89006:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCC#Cc1ccccn1,HPXNOOUKYNGMRY-UHFFFAOYSA-N
rxn:2:100097:120822,Cc1ccc(-c2ccc(C(C)NC3CCC(CCN(C)C)CC3)cc2)s1,FKNXLPMZQXRKAO-UHFFFAOYSA-N
rxn:2:137816:171069,CSc1ncc(C#CCNC(C)c2ccc(-c3csc4ccccc34)cc2)cn1,AJUWWUFQCZDQQF-UHFFFAOYSA-N
rxn:2:111913:154787,COCc1cc(C#CCCNC(C)c2ccc3sc(=S)[nH]c3c2)cs1,ABFFMWZXRXEIID-UHFFFAOYSA-N
rxn:2:93811:170892,CC(NCCCc1nc(-c2ncccn2)no1)c1ccc(-c2cc3sccc3s2)s1,RJIIHHOSROLZGA-UHFFFAOYSA-N
rxn:2:71188:170060,Cc1cc(-c2ccc(CCC(C)NC3CCN(c4ccncc4)CC3)cc2)cs1,PTJXZEZYKAEXJS-UHFFFAOYSA-N
rxn:2:160349:107408,CC(NCCC1CC1c1ccc2[nH]c(=O)oc(=O)c2c1)c1ccc(-c2ccsc2)s1,HCIDCRJFRYHFOO-UHFFFAOYSA-N
rxn:2:167169:83817,Cc1ccccc1OCCC(C)NCC#Cc1ccc2[nH]c(=O)sc2c1,TXMHHICAOQMSFY-UHFFFAOYSA-N
rxn:2:111904:68807,Cc1ccsc1-c1ccc(C(C)Nc2n[nH]c3ncncc23)s1,VSXQTOJYTLVKHV-UHFFFAOYSA-N
rxn:2:138643:122855,CC(NC1CC(c2nc(-c3cc[nH]c3)c[nH]2)C1)c1ccc(-c2cccs2)s1,FZDQUVPQEUPGLC-UHFFFAOYSA-N
rxn:2:97063:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCSc1cnn[nH]1,YXHYRLLKPMEBNL-UHFFFAOYSA-N
rxn:2:118908:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3ncnn3C)cc2)c1,PBCZYMBBEOLGJZ-UHFFFAOYSA-N
rxn:2:125169:170060,COc1cncc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)c1,XPCIVTMYIZOCNC-UHFFFAOYSA-N
rxn:2:97101:67686,COc1cccc(C(CN2CC2)Nc2csc(C)c2)c1,JJBKIDSPFVAQIK-UHFFFAOYSA-N
rxn:2:74082:172375,CC(NC[C@@H](C)F)c1ccc(-c2cc3ccccc3o2)c2c1OCO2,CXHXDNXCSQKZSN-PZORYLMUSA-N
rxn:2:106136:114519,CCn1cc(C#CCCNC(C)c2ccc(-c3ccsc3C)cc2)cn1,HSARNTDFXOAGFI-UHFFFAOYSA-N
rxn:2:73576:82123,CCC(NCCCc1c[nH][nH]c1=O)C(C)Cc1ccc(C)cc1C,YVPAGDPNLUDTOI-UHFFFAOYSA-N
rxn:2:80433:169412,CCC(Cn1nccn1)NC(C)CCc1ccc(-c2cc(C)cs2)cc1,HXVQMNSGGGNXPF-UHFFFAOYSA-N
rxn:2:155997:142183,CC[C@H](NCC=N)c1ccc2c(c1)Cc1ccccc1-2,KUGWBRIHLWPWJG-SFHVURJKSA-N
rxn:2:74567:112875,C(#CC1CC(NCC2CC2c2ccc3[nH]ccc3c2)C1)c1cccs1,ZVHNUVGIFMHKGL-UHFFFAOYSA-N
rxn:2:142622:152898,O=c1[nH]c2ccc(C#CCCNC3CCc4cc5ccccc5cc4C3)cc2s1,AGNGNOHWFNSHKE-UHFFFAOYSA-N
rxn:2:100318:169856,CC(Nc1cn[nH]c(=O)n1)c1cccc2c1sc1ccccc12,BLMCIWTVLACMMB-UHFFFAOYSA-N
rxn:2:103172:169412,Cc1csc(-c2ccc(CCC(C)NC[C@@H]3CC[C@H]3c3cnn[nH]3)cc2)c1,SDEHXOFTSYFQDB-KHMGXFTDSA-N
rxn:2:138463:78538,Cc1ccsc1-c1ccc(C(C)NCCCc2nc(=O)[nH][nH]2)cc1,TYHBEURMFRIOAJ-UHFFFAOYSA-N
rxn:2:83476:170060,Cc1cc(-c2ccc(CCC(C)NC3CCOC(C4CCCC4)C3)cc2)cs1,IMVBQNONXLVBFH-UHFFFAOYSA-N
rxn:2:67380:107408,CC(NC1CCC2(CC1)CCN(C)CC2)c1ccc(-c2ccsc2)s1,VUIQTBNOXHVVKH-UHFFFAOYSA-N
rxn:2:87260:141988,Cc1cc(-c2ccc(C(C)NCCC#Cc3ccc4[nH]ncc4c3)s2)cs1,WGJAHDULDFXJRW-UHFFFAOYSA-N
rxn:2:91798:82536,CC(CCCc1cccs1)NCC#Cc1ccc(OCCN(C)C)cc1,IGGNFTJKDLSFJD-UHFFFAOYSA-N
rxn:2:66041:107408,CCCCCC1CCC(NC(C)c2ccc(-c3ccsc3)s2)CC1,MXGIZWMMGATQBL-UHFFFAOYSA-N
rxn:2:110352:173012,CCNC(c1ccc(-c2csc(C)c2)cc1)c1cccnc1,DYPHQKLVBIQFDW-UHFFFAOYSA-N
rxn:2:160401:173095,CC(NCCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc2sc3ccccc3c2c1,FGHRXIWUADSPCY-UHFFFAOYSA-N
rxn:2:125927:142183,Cc1cccc(CONCC=N)c1,RQJZWXMDSWBBMW-UHFFFAOYSA-N
rxn:2:122351:105824,CN(C)C(CNc1c[nH]nn1)c1ccc2c(c1)CCCS2,USOATGBQBUVLNF-UHFFFAOYSA-N
rxn:2:140962:96010,CC(NCCC#Cc1ccnn1C)c1ccc(-c2ccsc2)cc1,BNYXZNQMYNDGFZ-UHFFFAOYSA-N
rxn:2:92382:147222,Cc1cc(C(C)Nc2cn[nH]c2)ccc1OCc1ccccc1,UJSFCMXIJCPPKX-UHFFFAOYSA-N
rxn:2:128754:96010,CC(NC1CCN(c2cc(N(C)C(C)C)ncn2)C1)c1ccc(-c2ccsc2)cc1,OPYSAOFFOGMKFO-UHFFFAOYSA-N
rxn:2:87202:114519,Cc1sccc1-c1ccc(C(C)NCCc2cn[nH]c2)cc1,WUIFVRHKAVZHFM-UHFFFAOYSA-N
rxn:2:87127:66791,Cc1csc(-c2csc(C(C)NCc3nnc[nH]3)c2)c1,FNAKHCCBXYTZON-UHFFFAOYSA-N
rxn:2:132373:173095,CC(NCC#Cc1c[nH]cn1)c1ccc2sc3ccccc3c2c1,VQNVNCYPDBPJNV-UHFFFAOYSA-N
rxn:2:129122:77974,COc1cc(C#CCCNC(C)c2ccc(-c3ccccc3)s2)ccn1,HEYRRTGRWXWOLD-UHFFFAOYSA-N
rxn:2:102045:159185,C=C=CC(Nc1ccnc2[nH]ncc12)c1ccc2ccccc2c1,PEPANWQNYDAKSJ-UHFFFAOYSA-N
rxn:2:87971:104467,CC(N[C@H]1CC[C@H](CCN(C)C)CC1)c1csc2ccccc12,RRIGIACWQKYRCT-ATBAIXNZSA-N
rxn:2:167592:66791,Cc1csc(-c2csc(C(C)NCC#Cc3cnc4[nH]c(=O)oc4c3)c2)c1,AZDDHALGJALABT-UHFFFAOYSA-N
rxn:2:139798:108959,CC(NCCCc1cnc2nc[nH]c2c1)c1ccc(-c2cccs2)cc1,NKTIRNZEFCRATF-UHFFFAOYSA-N
rxn:2:120472:108959,Cc1cnccc1C#CCNC(C)c1ccc(-c2cccs2)cc1,TXIALSCMGREILU-UHFFFAOYSA-N
rxn:2:114168:96010,CC(NCCCOc1cc[nH]n1)c1ccc(-c2ccsc2)cc1,MMIWYJDXPWSWFQ-UHFFFAOYSA-N
rxn:2:138933:148477,CC(NCCCOc1cn[nH]c1)c1ccc2c(c1)CCc1ccccc1-2,SDEVMNZHQWUGLL-UHFFFAOYSA-N
rxn:2:113575:107408,CC(NCCOc1ccc(-c2ncncn2)cc1)c1ccc(-c2ccsc2)s1,NMKPBRSFBCOGAZ-UHFFFAOYSA-N
rxn:2:88848:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCCC#Cc1ncccn1,XLKCXUKSZNJOKJ-UHFFFAOYSA-N
rxn:2:111746:85327,Cc1ccc(-c2cc(C(C)NCCCCc3cnccn3)cs2)cc1,LRVYKFGUILEXAW-UHFFFAOYSA-N
rxn:2:75290:123403,Cc1ccc2cc(C(C)NCCC(C)(C)Cc3cc[nH]c3)sc2c1,OJLQGIWFBDRTMD-UHFFFAOYSA-N
rxn:2:82773:112875,CN(Cc1cc(C#CCNC2CC(C#Cc3cccs3)C2)cs1)C1CC1,IECAEYMKFJUXLP-UHFFFAOYSA-N
rxn:2:67380:123403,Cc1ccc2cc(C(C)NC3CCC4(CC3)CCN(C)CC4)sc2c1,DDSZLOCKNGZCEN-UHFFFAOYSA-N
rxn:2:84871:85686,CC(NCCC1CC1c1cnccn1)c1csc(-c2cccs2)c1,ZUGAGFYNDOWNHL-UHFFFAOYSA-N
rxn:2:95795:116515,Cc1cnc(CCCNC(C)c2ccc(-c3cccs3)nc2)cn1,ICVKTNYLHFJENK-UHFFFAOYSA-N
rxn:2:145188:141889,Cc1cccc(C2CCC(NCCC#Cc3ccc4c(=O)[nH]cnc4c3)CC2)c1,KMFOHXPMDUJNQI-UHFFFAOYSA-N
rxn:2:139991:70192,CCCC(NC(C)CCOc1ccc(C)cc1C)c1nnn[nH]1,SVJBOCLPXXQOAX-UHFFFAOYSA-N
rxn:2:78032:97563,CCOc1ccc(C(CC)Nn2cncn2)cc1C,RAQAORYWVITNEO-UHFFFAOYSA-N
rxn:2:82511:112875,C(#Cc1ccc2[nH]cnc2c1)CCNC1CC(C#Cc2cccs2)C1,LMWWOBYUDBVDSR-UHFFFAOYSA-N
rxn:2:124571:114519,Cc1sccc1-c1ccc(C(C)NCCCCN2CCN(C)CC2)cc1,IZXHSXDJQKDJBZ-UHFFFAOYSA-N
rxn:2:150747:120181,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccsn2)cc1,IVINSBRPPYALLA-UHFFFAOYSA-N
rxn:2:68618:126659,Cc1ccc2sc(C(C)NCC#Cc3ccc(-c4c[nH]cn4)cc3)cc2c1,PPPNQNPTQNMSPS-UHFFFAOYSA-N
rxn:2:73585:96010,CC(NCCCc1c[nH]cn1)c1ccc(-c2ccsc2)cc1,ARXHRRAWPQARRR-UHFFFAOYSA-N
rxn:1:60111:5759,CCC(Oc1ccc(Br)cc1)c1cn(I)nn1,MRHHLAMZJIFYMO-UHFFFAOYSA-N
rxn:2:68737:96010,CC(NCCC#Cc1cc[nH]n1)c1ccc(-c2ccsc2)cc1,ZKXIJPQXTTXNJK-UHFFFAOYSA-N
rxn:2:101450:105824,CN(C)C(CNc1cnsn1)c1ccc2c(c1)CCCS2,SGNGTEAALVVRSO-UHFFFAOYSA-N
rxn:2:142622:68807,Cc1ccsc1-c1ccc(C(C)NCCC#Cc2ccc3[nH]c(=O)sc3c2)s1,YYLXFHRLFWGOQB-UHFFFAOYSA-N
rxn:2:142622:79208,O=c1[nH]c2ccc(C#CCCNC3CCC(c4nc5ccccc5s4)C3)cc2s1,UPHWMDOOJIOIQG-UHFFFAOYSA-N
rxn:2:122723:152446,CC(NC1CCCC(S(=O)(=O)C(C)C)C1)c1ccc(C#Cc2ccccc2)cc1,CVHAOGLRPNNXOP-UHFFFAOYSA-N
rxn:2:141397:171933,CCOc1ccc(-c2ccc(C(C)NC)s2)cc1,LSKJWWBGPJWJEG-UHFFFAOYSA-N
rxn:2:139209:141195,CCC(Nc1n[nH]c(=O)[nH]1)c1ccc(-c2sccc2C)cc1,JBUOMPPUKUOYIK-UHFFFAOYSA-N
rxn:2:140224:170892,CC(NCCc1ncncn1)c1ccc(-c2cc3sccc3s2)s1,KEYTVGNHGHNJKE-UHFFFAOYSA-N
rxn:2:81958:110041,CC(NCc1ccc(C#CCn2ccnc2)cc1)c1csc(-c2ccsc2)c1,FGUCZCHTYQJVEG-UHFFFAOYSA-N
rxn:2:112003:172618,COc1ccc(C#CCCNC(C)c2cc(-c3cc4sccc4s3)cs2)cn1,WOYAYKJCKYSGKC-UHFFFAOYSA-N
rxn:2:124198:82388,CC(NCCC#Cc1ccsc1)c1ccc(-c2cnco2)cc1,CEUBPHXTOOBXPV-UHFFFAOYSA-N
rxn:2:131711:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCCCCS(C)(=N)=O,DLWNNJFJKWIRQP-UHFFFAOYSA-N
rxn:2:90771:169668,Cc1csc(-c2cc(C)c(C(C)NC3CCN(c4ncc[nH]c4=O)CC3)c(C)c2)c1,JTFRPLLXHAZBPT-UHFFFAOYSA-N
rxn:2:120475:124273,CC(NCc1ccc(C#CCn2ccnc2)nc1)c1ccc(-c2cnsc2)s1,PGTKTDZPOHVAOW-UHFFFAOYSA-N
rxn:2:166241:110334,Cc1ccc2cc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c(=O)c4c3)ccc2c1,DSYRSYKUIAECBO-UHFFFAOYSA-N
rxn:2:105485:108959,CC(NCc1ccc(N2CCC(N(C)C)CC2)cc1)c1ccc(-c2cccs2)cc1,HCZMNIYCAFEDHJ-UHFFFAOYSA-N
rxn:2:106940:108959,CC(NCCc1ncno1)c1ccc(-c2cccs2)cc1,ZEGGOIAVXGVOOR-UHFFFAOYSA-N
rxn:2:76179:120822,CO[C@H]1CC[C@@H](CCCNC(C)c2ccc(-c3ccc(C)s3)cc2)CC1,CDYJYQVKDGNTLG-WSFQTCJWSA-N
rxn:2:83460:148477,CCC(NC(C)c1ccc2c(c1)CCc1ccccc1-2)c1nnn[nH]1,DVPVZYVGZNCEEG-UHFFFAOYSA-N
rxn:2:116231:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCC#Cc3[nH]cnc3C)ccc1-2,SPAUQFAUDNWEJZ-UHFFFAOYSA-N
rxn:2:107766:170060,COc1ccc(C2CC2CNC(C)CCc2ccc(-c3csc(C)c3)cc2)nn1,HAWNZVSVIQYYPO-UHFFFAOYSA-N
rxn:2:142622:139886,CC(NCCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccco2)cc1,LJKCDTVVVOKYSF-UHFFFAOYSA-N
rxn:2:76896:108959,CC(NCCC#Cc1cccnc1)c1ccc(-c2cccs2)cc1,YRWVOYYCOHTIGA-UHFFFAOYSA-N
rxn:2:92382:81152,CCC(Cc1ccc2ccccc2c1)Nc1cn[nH]c1,UWCKDFCHCIATSW-UHFFFAOYSA-N
rxn:2:135915:169851,CSc1ccc(-c2ccc(C(C)NCCC3CC3c3[nH]cnc3C)cc2)cc1,WLLFYCCIIITMCZ-UHFFFAOYSA-N
rxn:2:73728:83991,CCC(C)CC(Cc1cccc(C)c1)NC1CC1,AJKNZVSUJJAIMU-UHFFFAOYSA-N
rxn:2:85110:170060,COc1ccc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)nc1,IUSUSHCRVNWJGH-UHFFFAOYSA-N
rxn:2:142221:104907,Cc1ccc(OC[C@@H](C)NC2CCCC(C3CCCC3)C2)c(C)c1,SXGLNVTZZALVEK-KMFTYDHNSA-N
rxn:2:141397:173042,CNC(Cc1ccccc1)c1ccc(-c2ccc(C)s2)cc1,MXCRVPQMFWCCSC-UHFFFAOYSA-N
rxn:2:72913:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ncccn2)cc1,SEVSTCXTXOHDJS-UHFFFAOYSA-N
rxn:2:119514:125240,CCc1cccc2c1CCC(N[C@H](C)Cc1cnc[nH]1)C2,YJNMCKZQNVRSNW-JBZHPUCOSA-N
rxn:2:124992:170060,CCC(COc1nonc1C)NC(C)CCc1ccc(-c2csc(C)c2)cc1,RTNQLQBUNDDQFL-UHFFFAOYSA-N
rxn:2:137136:102373,COc1ncc(C#CCCNC2CC(c3ccc(C)s3)C2)cn1,UOHRTMYLELXMAL-UHFFFAOYSA-N
rxn:2:139383:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCCCCc1cn(C)cn1,XWLLBPJDTRKKLS-UHFFFAOYSA-N
rxn:2:72890:96010,CC(NCCCCc1c[nH]cn1)c1ccc(-c2ccsc2)cc1,JIOGYZSNECSUHJ-UHFFFAOYSA-N
rxn:2:138457:172618,CC(NCC#Cc1ccc(-c2nn[nH]n2)cc1)c1cc(-c2cc3sccc3s2)cs1,YXJDFDDNZYERJN-UHFFFAOYSA-N
rxn:2:122923:96514,Cc1nc(-c2cc(C(C)NCCCc3ccc4[nH]c(=O)[nH]c4c3)cs2)cs1,PSYIEYPGPPPJIO-UHFFFAOYSA-N
rxn:1:60111:3091,NCC1CC1c1ccc(-c2cn(I)nn2)cc1,QIBUOXUKJDAYSO-UHFFFAOYSA-N
rxn:2:80332:141988,Cc1cc(-c2ccc(C(C)NCCC#Cc3ccc4[nH]nnc4c3)s2)cs1,ZVCRDBQCKWFHTK-UHFFFAOYSA-N
rxn:2:147050:108959,Cc1nc2ccc(C#CCNC(C)c3ccc(-c4cccs4)cc3)cc2o1,MVKSCZDHNUQPJZ-UHFFFAOYSA-N
rxn:2:73920:171231,CCOc1cc(C)c(-c2csc(C(C)NCCSc3ccccn3)c2)cc1C,IWIOZOAZXCDGJB-UHFFFAOYSA-N
rxn:2:81194:169851,CSc1ccc(-c2ccc(C(C)NCCCCc3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1,DWBTXDBWGVGCKO-UHFFFAOYSA-N
rxn:2:77440:172959,CC(Nc1cnon1)c1cc2ccccc2c2ccccc12,KLXRGZJXIMMIHF-UHFFFAOYSA-N
rxn:2:79178:170060,Cc1cc(-c2ccc(CCC(C)NCC(C)c3cc4cncnn4c3)cc2)cs1,CEWCSBIJNZGFRH-UHFFFAOYSA-N
rxn:2:80519:120822,Cc1ccc(-c2ccc(C(C)NCCCc3c[nH]c(=S)[nH]3)cc2)s1,VUIBZPJWJFTPAY-UHFFFAOYSA-N
rxn:2:87202:122855,CC(NCCc1cn[nH]c1)c1ccc(-c2cccs2)s1,MODKQZHRLWCQNN-UHFFFAOYSA-N
rxn:2:140814:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCc3ccncc3)ccc1-2,BBWBOYMMVLJTEB-UHFFFAOYSA-N
rxn:2:162493:169604,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2ccc3ncsc3c2)s1,QOGTULMSTPWDJM-UHFFFAOYSA-N
rxn:2:89567:170060,Cc1cc(-c2ccc(CCC(C)NC3CCCN(c4ccncn4)C3)cc2)cs1,XLENXEWJKNLPCD-UHFFFAOYSA-N
rxn:2:145750:108959,CC(NCCC#Cc1ccc2[nH]c(=O)oc(=O)c2c1)c1ccc(-c2cccs2)cc1,NXQGBEFYCCYIQF-UHFFFAOYSA-N
rxn:2:131705:120822,Cc1ccc(-c2ccc(C(C)NCc3ccc(N4CCN(C)CC4)cc3)cc2)s1,JUACDNFYCCOKPT-UHFFFAOYSA-N
rxn:2:132071:66791,Cc1csc(-c2csc(C(C)NCCC3CC3c3cscn3)c2)c1,MYVZPRMGCZHDEV-UHFFFAOYSA-N
rxn:2:139398:96010,CC(NC1CC2(CCN(C3CCC3)CC2)C1)c1ccc(-c2ccsc2)cc1,UDADXKCTHYFLPX-UHFFFAOYSA-N
rxn:2:105724:96010,CC(NCCc1nnc(CC2CCCC2)o1)c1ccc(-c2ccsc2)cc1,SYLHHSVDIHKZNC-UHFFFAOYSA-N
rxn:2:139218:120181,CC(NCC#Cc1cnn(-c2cnccn2)c1)c1ccc(-c2ccsn2)cc1,PRNFSAHIKPPGNE-UHFFFAOYSA-N
rxn:2:114191:120822,Cc1ccc(-c2ccc(C(C)NCCCCc3ccc[nH]3)cc2)s1,QLCALAPDUYLHLK-UHFFFAOYSA-N
rxn:2:68374:108959,CC(NC1CCN(c2nccs2)C1)c1ccc(-c2cccs2)cc1,WHWNFJHWONJLOQ-UHFFFAOYSA-N
rxn:2:112728:88359,CCC(NCCc1cc[nH]n1)c1ccc(-c2cscc2C)cc1,RMULJMQHZPSKOD-UHFFFAOYSA-N
rxn:2:120356:170411,CCSc1ccc(-c2ccc(C(C)NCCC#Cc3c[nH]c(C)n3)c(C)c2)cc1,FJLIPGUWVLUVCV-UHFFFAOYSA-N
rxn:2:114648:110041,CC(NCc1ccc(OCC2CCCN(C)C2)cc1)c1csc(-c2ccsc2)c1,HLPNLMUWMQYMSD-UHFFFAOYSA-N
rxn:2:122923:127220,Cc1ccc(-c2cc(C(C)NCCCc3ccc4[nH]c(=O)[nH]c4c3)cs2)s1,OOCOXXHYOVEMIF-UHFFFAOYSA-N
rxn:2:156072:169111,CC(NCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc2ccc3ccccc3c2c1,QNGCXIBYXXJABN-UHFFFAOYSA-N
rxn:2:79753:108959,CC(NCCc1ccc2[nH]ncc2c1)c1ccc(-c2cccs2)cc1,KWCIQOLSEUCWAV-UHFFFAOYSA-N
rxn:2:90963:110041,Cc1ccc(C#CCNC(C)c2csc(-c3ccsc3)c2)nn1,AQOVBVCKCVFLCV-UHFFFAOYSA-N
rxn:2:132131:120822,Cc1ccc(-c2ccc(C(C)NCCCc3ncno3)cc2)s1,KHJDBMJWOFNOPU-UHFFFAOYSA-N
rxn:2:103216:169412,Cc1csc(-c2ccc(CCC(C)NC[C@@H]3CC[C@@H]3c3cnn[nH]3)cc2)c1,SDEHXOFTSYFQDB-RFFXKOPCSA-N
rxn:2:102158:156984,CCOc1ncc(C#CCCNC(C)c2ccc(-c3cc(OC)cs3)cc2C)cn1,FHBZHKMBSGEYHT-UHFFFAOYSA-N
rxn:2:68737:108959,CC(NCCC#Cc1cc[nH]n1)c1ccc(-c2cccs2)cc1,RXRGPZPCBXGYKO-UHFFFAOYSA-N
rxn:2:79774:96010,CCN1CCN(c2ccc(CCNC(C)c3ccc(-c4ccsc4)cc3)cc2)CC1,HKTBADIKQYHZEP-UHFFFAOYSA-N
rxn:2:166241:127220,Cc1ccc(-c2cc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c(=O)c4c3)cs2)s1,BAWAODHUTISHCD-UHFFFAOYSA-N
rxn:2:144681:66791,Cc1csc(-c2csc(C(C)NCCC#Cc3ccc4[nH]c(=O)oc4c3)c2)c1,DETLQZGPHSOYLW-UHFFFAOYSA-N
rxn:2:162493:111053,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc2ccccc2c1,LRBOHWJIDBFBDR-UHFFFAOYSA-N
rxn:2:70440:172033,COc1ncc(CCCNC(C)c2ccc(-c3ccc(-c4cn[nH]c4)cc3)s2)cn1,KZOFJVABCMEWBJ-UHFFFAOYSA-N
rxn:2:138592:99556,Cc1ccc(OC2CCC(NC(C)c3ccc(-c4ccsc4)cc3)CC2)nn1,VYUQYYIIINEEQP-UHFFFAOYSA-N
rxn:2:92934:89838,Cc1nc2ccc(C(C)NCC#Cc3ccc4[nH]nnc4c3)cc2s1,SNFLASGDASBRBT-UHFFFAOYSA-N
rxn:2:124198:71586,C(#Cc1ccsc1)CCNC1CC(c2ccsc2)C1,BLTYWMOKTWPOLR-UHFFFAOYSA-N
rxn:2:69444:70192,Cc1ccc(OCCC(C)NCCc2ccc(N3CCN(C)CC3)cc2)c(C)c1,VHIDEIPSCXLLNJ-UHFFFAOYSA-N
rxn:2:124198:146765,CC(NCCC#Cc1ccsc1)c1ccc(-c2cnc(=O)[nH]c2)cc1,RNELURCWBGKEPM-UHFFFAOYSA-N
rxn:2:125825:169856,CC(N[C@@H]1CCc2c[nH]cc21)c1cccc2c1sc1ccccc12,PEHFORZPPRDTBY-GAGCMDECSA-N
rxn:2:66858:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC3c3cnn(C)c3)cc2)cs1,NMDVNFYOQQABBO-UHFFFAOYSA-N
rxn:2:66658:170892,CC(NCCC#Cc1cnoc1)c1ccc(-c2cc3sccc3s2)s1,JNNWCVTYKSIDLK-UHFFFAOYSA-N
rxn:2:94822:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCSc3nncn3C)ccc1-2,ZLTPWIRQTYGOKA-UHFFFAOYSA-N
rxn:2:100318:165373,Cc1c(C(C)Nc2cn[nH]c(=O)n2)sc2c(C)cccc12,VDPGAJLLTKIWOV-UHFFFAOYSA-N
rxn:2:120369:170892,COc1ccc(C#CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)nn1,KYZWDXXYSXVKGL-UHFFFAOYSA-N
rxn:2:141695:169412,CSCCC(NC(C)CCc1ccc(-c2cc(C)cs2)cc1)c1nnn[nH]1,LJENOBQVYHUYNP-UHFFFAOYSA-N
rxn:2:135058:156984,COc1csc(-c2ccc(C(C)NCCc3csnn3)c(C)c2)c1,YMWKBOOLKHGTJS-UHFFFAOYSA-N
rxn:2:139602:170892,CC(NCCCc1cnn(-c2cnccn2)c1)c1ccc(-c2cc3sccc3s2)s1,YTQMFTBWBJAQID-UHFFFAOYSA-N
rxn:2:132071:161103,CC(NCCC1CC1c1cscn1)c1ccc2c(c1)Cc1ccccc1-2,SRCCETUSJSDFLF-UHFFFAOYSA-N
rxn:2:74199:76379,CC(NCCC#Cc1cnc2cc[nH]c2c1)c1ccc(-c2cscn2)cc1,OTBSVJNWFNXGSC-UHFFFAOYSA-N
rxn:2:92382:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)Nc1cn[nH]c1,CBXGYFHVSZAJLY-UHFFFAOYSA-N
rxn:2:149922:109025,Cc1csc(-c2cc(C(C)NCC3CC3c3ccc4c(=O)[nH]cnc4c3)cs2)c1,XAYXQPOPUTZVEU-UHFFFAOYSA-N
rxn:2:156072:154103,O=c1[nH]c2ccc(C#CCNC(c3cc[nH]c3)c3ccc4ccccc4c3)cc2o1,HWIMWKFMVDCIHB-UHFFFAOYSA-N
rxn:2:134698:85949,CC(NC1CCc2ncncc2C1)c1ccc(-c2cccs2)cc1,XIGFBHIJLZBOEV-UHFFFAOYSA-N
rxn:2:76625:97346,C(#Cc1cnc[nH]1)CCNC1CCC(c2ccsc2)CC1,CXEOLMZDVSKBCD-UHFFFAOYSA-N
rxn:2:83579:127220,Cc1ccc(-c2cc(C(C)NCCCc3nn[nH]n3)cs2)s1,POHOGEREOMDTJB-UHFFFAOYSA-N
rxn:2:67187:171231,CCOc1cc(C)c(-c2csc(C(C)Nc3cncnc3)c2)cc1C,ADVXGGRDJIKLFI-UHFFFAOYSA-N
rxn:2:125968:169666,CC(NCCCCc1cnn(C)c1)c1cc(-c2ccc(-c3cccnc3)cc2)cs1,IYNNLNMYYVZOTK-UHFFFAOYSA-N
rxn:2:141397:146533,CNC(C)c1ccc(-c2ccc3cnoc3c2)s1,ZUJAKCBQIOAURO-UHFFFAOYSA-N
rxn:2:79270:169412,Cc1csc(-c2ccc(CCC(C)N[C@H](c3nn[nH]n3)C(C)C)cc2)c1,SWSWDHPFOUPDPY-FUBQLUNQSA-N
rxn:2:76939:88103,COCC(Nc1nnns1)c1cc2ccccc2s1,WEVOGXZDGGDZOT-UHFFFAOYSA-N
rxn:2:107531:91567,Cc1cccc(C(C)CC(C)NCc2nn[nH]n2)c1,BCMVESAZWNDWPN-UHFFFAOYSA-N
rxn:2:122353:111147,CC(NCCC#Cc1cccc(S(C)(=O)=O)c1)c1ccc(-c2nccs2)cc1,CGSZOTWPFMQJEX-UHFFFAOYSA-N
rxn:2:112350:159692,Cn1cc(C#CCCNC2CCc3cc(-c4cccs4)ccc32)cn1,PFXSZRXYMUQIMB-UHFFFAOYSA-N
rxn:2:90799:112875,CS(=O)(=O)c1ccc(CCCNC2CC(C#Cc3cccs3)C2)cc1,GRARZJQKJBVZFP-UHFFFAOYSA-N
rxn:2:114648:108959,CC(NCc1ccc(OCC2CCCN(C)C2)cc1)c1ccc(-c2cccs2)cc1,GIWFUOSTHPCWAI-UHFFFAOYSA-N
rxn:2:97946:108959,CC(NCCC#Cc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2cccs2)cc1,ONTBWDRWQICHQR-UHFFFAOYSA-N
rxn:2:108186:126659,Cc1ccc2sc(C(C)NCCCCc3cnc4nc[nH]c4c3)cc2c1,DALVRNVYFWLGNY-UHFFFAOYSA-N
rxn:2:142033:153417,CONC(Cc1ccc2ccccc2c1)c1cccnc1,PJMSFJGSCYLNQD-UHFFFAOYSA-N
rxn:1:41907:3819,C[C@@H](N)c1cn(-c2ccc(I)cc2Cl)nn1,SRMQRZRPWKGDEJ-ZCFIWIBFSA-N
rxn:2:112154:122855,CC(NCC#Cc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2cccs2)s1,ANEBLIMWPYBSMB-UHFFFAOYSA-N
rxn:2:77182:67686,COc1cccc(C(CN2CC2)N[C@H]2CC2(C)C)c1,LPPQPXNBDBEMRO-LOACHALJSA-N
rxn:2:141397:166766,CNC(c1ccc2ccccc2c1)c1ccc(C)o1,ULTWLNDVTVDIHL-UHFFFAOYSA-N
rxn:2:138643:156984,COc1csc(-c2ccc(C(C)NC3CC(c4nc(-c5cc[nH]c5)c[nH]4)C3)c(C)c2)c1,MTOMTGUGLIEMOH-UHFFFAOYSA-N
rxn:2:144636:169604,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccc3ncsc3c2)s1,MTOCJCXLHDWIJV-UHFFFAOYSA-N
rxn:2:114483:169400,CCC(NC(C)c1cc(=O)[nH][nH]1)c1ccc(-c2ccc(C)s2)cc1C,QZJZYCJGPICZDT-UHFFFAOYSA-N
rxn:2:71745:170060,Cc1nc2c([nH]1)CC(CCCNC(C)CCc1ccc(-c3csc(C)c3)cc1)CC2,QNCGLHYKERJGFK-UHFFFAOYSA-N
rxn:2:119168:160422,CC(NC1CCN(c2ccc(S(C)(=O)=O)cc2)CC1)c1ccc(-c2ccsc2)s1,ZOWFKJVZWAWRBD-UHFFFAOYSA-N
rxn:2:74972:81152,CCC(Cc1ccc2ccccc2c1)NCc1nnn[nH]1,RGUCCLOTEMKZAX-UHFFFAOYSA-N
rxn:2:124198:128062,C(#Cc1ccsc1)CCNC1CCC(c2ccccn2)CC1,MPBGKMLSQRCYTN-UHFFFAOYSA-N
rxn:2:69444:108959,CC(NCCc1ccc(N2CCN(C)CC2)cc1)c1ccc(-c2cccs2)cc1,ZJEHWWLPNWLXAX-UHFFFAOYSA-N
rxn:2:135731:87790,COc1cccc2c(C(C)NCc3ccc(Oc4cnccn4)cc3)csc12,YRRZWGXUOZMCEN-UHFFFAOYSA-N
rxn:2:138592:119976,CCCCCCC1CC(NC(C)c2ccc(-c3ccsc3)cc2)C1,CPQYOMLVJCXGQI-UHFFFAOYSA-N
rxn:2:83604:157478,Cc1cc(OCc2ccccc2)ccc1C(C)NCC1N=N1,KTFBCHGBFPCCEL-UHFFFAOYSA-N
rxn:2:124637:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCCCc1ccncc1,HZOFWJXTUZRYKG-UHFFFAOYSA-N
rxn:2:112208:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCSCc1cnccn1,HOGTXSWSBSUIDN-UHFFFAOYSA-N
rxn:2:108730:96010,CC(NCCCc1nnn(-c2ccco2)n1)c1ccc(-c2ccsc2)cc1,ZFCHWNZFFWZEEN-UHFFFAOYSA-N
rxn:2:76625:173016,CC(NCCC#Cc1cnc[nH]1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,ZTICWZDYTICKFV-UHFFFAOYSA-N
rxn:2:97024:149524,C(#Cc1cscn1)CCNC1CCN(c2ccc3[nH]ccc3c2)CC1,JVFWTZAPKPMKCD-UHFFFAOYSA-N
rxn:2:78535:111147,CC(NCC#Cc1cnc2cn[nH]c2c1)c1ccc(-c2nccs2)cc1,BPKPBDFSLBYNBG-UHFFFAOYSA-N
rxn:2:82584:139886,CC(NCC#Cc1ccc2[nH]ccc2c1)c1ccc(-c2ccco2)cc1,NFXZIAUYEZOOTF-UHFFFAOYSA-N
rxn:2:114648:96010,CC(NCc1ccc(OCC2CCCN(C)C2)cc1)c1ccc(-c2ccsc2)cc1,BBKJSJYEVFLFTE-UHFFFAOYSA-N
rxn:2:144636:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCC#Cc1ccc2[nH]c(=O)[nH]c2c1,NIAGYRPUOJLFMW-UHFFFAOYSA-N
rxn:2:136611:96010,CC(NCc1ccc(C2CCN(C)CC2)nc1)c1ccc(-c2ccsc2)cc1,XNFLSLKYVDPAKR-UHFFFAOYSA-N
rxn:2:130970:170235,Cc1cccc(-c2ccc3oc(C(C)N[C@H]4C[C@@H](CS(C)(=N)=O)C4)cc3c2)c1,YIMVXJGUKSGJSG-RDHGVMRXSA-N
rxn:2:93504:169851,CSc1ccc(-c2ccc(C(C)NCCCc3cocn3)cc2)cc1,GSAQHOCRLFUNCN-UHFFFAOYSA-N
rxn:2:70816:96010,CC(NCC1CC1c1ccc2nccnc2c1)c1ccc(-c2ccsc2)cc1,FFZYSWDMJIWULT-UHFFFAOYSA-N
rxn:2:92870:123403,Cc1ccc2cc(C(C)NCC3CC3c3ccc(C)nn3)sc2c1,MHCAAYDQPHNSJL-UHFFFAOYSA-N
rxn:2:78444:169412,CCn1cc(OCCNC(C)CCc2ccc(-c3cc(C)cs3)cc2)cn1,NBTCXFLHLCPINM-UHFFFAOYSA-N
rxn:2:137446:141988,Cc1cc(-c2ccc(C(C)NCC#Cc3ccc(S(=O)(=O)F)cc3)s2)cs1,XLFJVXJRRPGMSG-UHFFFAOYSA-N
rxn:2:109567:108959,CC(NCc1cn[nH]n1)c1ccc(-c2cccs2)cc1,UZEZAYHQDXTWJB-UHFFFAOYSA-N
rxn:2:120985:169851,CSc1ccc(-c2ccc(C(C)NC3CCN(c4cc(=O)[nH]cn4)CC3)cc2)cc1,NLFPUNSGNSZGHN-UHFFFAOYSA-N
rxn:2:105340:169414,Cc1ccc(-c2ccc3oc(C(C)NCCS(=O)(=O)F)cc3c2)o1,CUDBASLTHNIDQN-UHFFFAOYSA-N
rxn:2:139123:109025,Cc1csc(-c2cc(C(C)NCC#Cc3ccc4ocnc4c3)cs2)c1,XQUDGTDRQZJVBM-UHFFFAOYSA-N
rxn:2:100083:96010,Cc1ncc(CCCNC(C)c2ccc(-c3ccsc3)cc2)cn1,YCLYJEJKKMKPES-UHFFFAOYSA-N
rxn:2:90327:78538,Cc1ccsc1-c1ccc(C(C)NCCCc2cnc[nH]2)cc1,OCEBSALYFSWHDJ-UHFFFAOYSA-N
rxn:2:84839:141988,COc1cc(C#CCNC(C)c2ccc(-c3csc(C)c3)s2)ccn1,UYZKWYIRIZPHTR-UHFFFAOYSA-N
rxn:2:69444:96010,CC(NCCc1ccc(N2CCN(C)CC2)cc1)c1ccc(-c2ccsc2)cc1,WZEAWRVQYDHCEL-UHFFFAOYSA-N
rxn:2:137587:94314,Cc1cccc2c(C(C)N[C@@H](C)c3nn[nH]n3)csc12,IHJNJMXMUWZHTP-AXDSSHIGSA-N
rxn:2:122923:150277,COc1csc(-c2ccc(CCC(C)NCCCc3ccc4[nH]c(=O)[nH]c4c3)cc2)c1,ARJSLFAPXNTMAC-UHFFFAOYSA-N
rxn:2:72650:173089,COc1ccnc(C#CCNC(C)c2ccc(-c3cc4sccc4s3)cc2C)c1,UMYODBDBCSIPES-UHFFFAOYSA-N
rxn:2:133307:146828,CSCC(NCCc1cn[nH]n1)c1ccc2cc(C)ccc2c1,HAFYTARXSSDODD-UHFFFAOYSA-N
rxn:2:111985:126659,Cc1ccc2sc(C(C)NCCCc3cc[nH]n3)cc2c1,LMAMKUXNHQBLLF-UHFFFAOYSA-N
rxn:2:67380:100541,COc1ccc2cc(C(C)NC3CCC4(CC3)CCN(C)CC4)sc2c1,UTXDIJKEWUMKDF-UHFFFAOYSA-N
rxn:2:114168:78538,Cc1ccsc1-c1ccc(C(C)NCCCOc2cc[nH]n2)cc1,XLGVRHMHCLHCDG-UHFFFAOYSA-N
rxn:2:114168:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCCOc1cc[nH]n1,PHLNNKWQUXDKLK-UHFFFAOYSA-N
rxn:2:79242:122855,CC(N[C@H]1CC[C@H](Oc2cnccn2)CC1)c1ccc(-c2cccs2)s1,SPVVDDQSSBLCDR-KURUOMIPSA-N
rxn:2:162493:89838,Cc1nc2ccc(C(C)NCC#Cc3ccc4c(=O)[nH]cnc4c3)cc2s1,ZYXAQCUQVIVLOP-UHFFFAOYSA-N
rxn:1:41907:5553,CC(N)c1cn(-c2ccc(I)cc2Cl)nn1,SRMQRZRPWKGDEJ-UHFFFAOYSA-N
rxn:2:130125:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCCn3nccn3)c2)cc1C,FEXAGCCISRUYOA-UHFFFAOYSA-N
rxn:2:120475:85686,CC(NCc1ccc(C#CCn2ccnc2)nc1)c1csc(-c2cccs2)c1,SVRFJNXXNFALLH-UHFFFAOYSA-N
rxn:2:90799:107408,CC(NCCCc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccsc2)s1,LJVLZUREYZCTAG-UHFFFAOYSA-N
rxn:2:104781:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCc3cc(OC)no3)ccc1-2,ODDLHVZWPCKIQZ-UHFFFAOYSA-N
rxn:2:162493:171392,O=c1[nH]cnc2cc(C#CCNC3CCC(c4csc5ccccc45)CC3)ccc12,INADFZOKIPYYAC-UHFFFAOYSA-N
rxn:2:88500:172332,CC12CCC3c4ccccc4CCC3C1CCC2NCc1cnns1,RCEVJXLQUFPHBC-UHFFFAOYSA-N
rxn:2:136508:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCCCc1nc[nH]n1,HXEYKRLFUKLFIF-UHFFFAOYSA-N
rxn:2:77560:161103,CC(Nc1cnoc1)c1ccc2c(c1)Cc1ccccc1-2,YHELPOKIGYZVCK-UHFFFAOYSA-N
rxn:2:67187:92656,c1coc(-c2ccc(C(Nc3cncnc3)C3CC3)cc2)c1,TWXPFSGUHRNELI-UHFFFAOYSA-N
rxn:2:77560:141195,CCC(Nc1cnoc1)c1ccc(-c2sccc2C)cc1,MAYDOHPPHQUJGD-UHFFFAOYSA-N
rxn:2:68618:66791,Cc1csc(-c2csc(C(C)NCC#Cc3ccc(-c4c[nH]cn4)cc3)c2)c1,OZNFQHIISDQKSX-UHFFFAOYSA-N
rxn:2:68680:68234,CCC(NCCCOC1CCN(C)CC1)c1ccc(-c2cc(C)cs2)cc1,VTDGFHNEXMQJPE-UHFFFAOYSA-N
rxn:2:87202:125117,Cc1ccc(-c2ccc(C(C)NCCc3cn[nH]c3)cc2)o1,YMGDZKRGBVKWLC-UHFFFAOYSA-N
rxn:2:150473:78538,Cc1ccsc1-c1ccc(C(C)NCC(C)CCc2ccc3oc(=O)[nH]c3c2)cc1,FQNCDLUDZLSEGQ-UHFFFAOYSA-N
rxn:2:105568:169412,Cc1csc(-c2ccc(CCC(C)NCC#Cc3cn(C)cn3)cc2)c1,OVORXQZFRLKWSD-UHFFFAOYSA-N
rxn:2:88304:170858,Cc1csc(-c2ccc(C(C)Nc3ccno3)cc2C)c1,RAMYLIFUROOHMT-UHFFFAOYSA-N
rxn:2:114648:85686,CC(NCc1ccc(OCC2CCCN(C)C2)cc1)c1csc(-c2cccs2)c1,HGCWQODJTIBHDA-UHFFFAOYSA-N
rxn:2:146036:91563,Cc1cc(-c2ccco2)ccc1C(C)NCC1CC1c1ccc2[nH]c(=O)[nH]c2c1,CGPAMMUVNVWHHA-UHFFFAOYSA-N
rxn:1:41907:28754,C[C@H](N)c1cn(-c2ccc(I)cc2Cl)nn1,SRMQRZRPWKGDEJ-LURJTMIESA-N
rxn:2:78032:133871,CSCC(Nn1cncn1)c1ccc2c(c1)CCC2,RHONZFWYGOVSBI-UHFFFAOYSA-N
rxn:2:107473:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NC1Cc2nccnc2C1,HPEUDJWUAKICRV-UHFFFAOYSA-N
rxn:2:125962:99556,Cc1ccc(OC2CCC(N[C@H](C)c3ccc(-c4cccs4)cc3)CC2)nn1,DHLNTONZQRXXGX-MDMXATFFSA-N
rxn:2:81212:155104,CN(C)C(Cc1ccccc1)C(Nc1nnn[n-]1)c1cc2ccccc2o1,YGBQYIBNZYCKQV-UHFFFAOYSA-N
rxn:2:78025:142183,Cc1ccccc1OC(c1ccsc1)C(C)NCC=N,DVWRPLGBIBNLDO-UHFFFAOYSA-N
rxn:2:91097:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCc3cncnc3)ccc1-2,YIRVJKJFSMBOLQ-UHFFFAOYSA-N
rxn:2:86811:165092,Cc1nc(-c2ccc(C(C)NC3CCC(CC4CCN(C)C4)CC3)cc2)sc1C,CKJLMMBWLYJIHG-UHFFFAOYSA-N
rxn:2:135072:109025,Cc1csc(-c2cc(C(C)NCCCOc3ccon3)cs2)c1,NSCRDSPGQOQHKD-UHFFFAOYSA-N
rxn:2:70378:159800,COc1ccc(-c2ccc(C(C)NCCCCc3cc[nH]c3)cc2)cc1,MSYPKZHTAHYNCB-UHFFFAOYSA-N
rxn:2:68710:97563,CCOc1ccc(C(CC)NC2CCCC(S(=O)(=O)CC)C2)cc1C,QTXCFEQTVJZWEL-UHFFFAOYSA-N
rxn:2:110097:84708,CCN(C)CC(Nc1ncn[nH]1)c1ccc(C)cc1C,UTPFHCAMSFDYKR-UHFFFAOYSA-N
rxn:2:87202:102419,CCCC(Cc1ccc2ccccc2c1)NCCc1cn[nH]c1,UJDKYQCICCWUCJ-UHFFFAOYSA-N
rxn:2:156676:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3ccc4[nH]c(=O)[nH]c(=O)c4c3)cc2)cs1,QQYJTCNXKCATSN-UHFFFAOYSA-N
rxn:2:91597:173016,CC(NCCCc1ncco1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,MSUXDZAODHHAFH-UHFFFAOYSA-N
rxn:2:115378:122855,CC(N[C@H]1CC[C@H](CN2CCCCC2)CC1)c1ccc(-c2cccs2)s1,UZOYESFFLMWVDI-YIQCUVMYSA-N
rxn:2:103984:173089,COc1ccc(C#CCCNC(C)c2ccc(-c3cc4sccc4s3)cc2C)nc1,HLGVAEZUCVVBAO-UHFFFAOYSA-N
rxn:2:100596:96010,CC(N[C@H]1CC[C@@H](N2CCN(C)CC2)CC1)c1ccc(-c2ccsc2)cc1,IBNATJKXAYEEJB-KWZJIHQYSA-N
rxn:2:68737:70812,C(#Cc1cc[nH]n1)CCNC1CCC(c2ccccc2)CC1,GBSMPIRHWGHDLG-UHFFFAOYSA-N
rxn:2:66304:159692,CSc1ncc(C#CCCNC2CCc3cc(-c4cccs4)ccc32)cn1,CXSZNQNFMFFYNY-UHFFFAOYSA-N
rxn:2:83688:107408,CC(NCC1CC1c1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccsc2)s1,SKYDTYHPWMBGKP-UHFFFAOYSA-N
rxn:2:114945:129880,Cc1nc(-c2cccs2)ccc1C(C)NC1CCN(c2nccs2)CC1,PEMNGRUNLUYDIZ-UHFFFAOYSA-N
rxn:2:92749:170858,Cc1csc(-c2ccc(C(C)Nc3nnn[nH]3)cc2C)c1,OYLLKONEUFTUAT-UHFFFAOYSA-N
rxn:2:147050:170892,Cc1nc2ccc(C#CCNC(C)c3ccc(-c4cc5sccc5s4)s3)cc2o1,SBHITSIFJZKILS-UHFFFAOYSA-N
rxn:2:104064:110041,CC(NCc1ccc(C#CCn2cccn2)nc1)c1csc(-c2ccsc2)c1,VPPCORSRYQGGRB-UHFFFAOYSA-N
rxn:2:78444:168058,CCn1cc(OCCNC(C)c2ccc3c(c2)CCc2cc(OC)ccc2-3)cn1,IMLOSOMJEPWPIT-UHFFFAOYSA-N
rxn:2:100451:117186,Cc1ccc(C#CCNC(C)c2ccc3sccc3c2)s1,WUSTVVNZMWTUPK-UHFFFAOYSA-N
rxn:2:117725:109382,CN1CCN(c2ccc(C#CCCNC3CCC(c4nccs4)CC3)cc2)CC1,RMNHJAGDLHBJLD-UHFFFAOYSA-N
rxn:2:100611:107408,CC(NCC#Cc1csc(CN2CCC2)c1)c1ccc(-c2ccsc2)s1,MGAKYZDSEWYZKZ-UHFFFAOYSA-N
rxn:2:139398:108959,CC(NC1CC2(CCN(C3CCC3)CC2)C1)c1ccc(-c2cccs2)cc1,GOVBLFHYCJQRPY-UHFFFAOYSA-N
rxn:2:134195:96010,Cc1nsc(N2CCC(NC(C)c3ccc(-c4ccsc4)cc3)C2)n1,LDFVOBQEHHTJDF-UHFFFAOYSA-N
rxn:2:84839:90126,COc1cc(C#CCNC(C)c2ccc(-c3ccsc3)cn2)ccn1,AKCXTNJBSIFCFT-UHFFFAOYSA-N
rxn:2:114522:108959,CC(NCCC#Cc1cn(C)cn1)c1ccc(-c2cccs2)cc1,FMWCPJMWAVGDSI-UHFFFAOYSA-N
rxn:2:85225:142724,COc1ccc2cc(CCC(C)NCCCc3c[nH]c(C)c3C)ccc2c1,HBHLPXWHHQWOCE-UHFFFAOYSA-N
rxn:2:80079:108959,COCCSc1cc(NC(C)c2ccc(-c3cccs3)cc2)ccn1,HPRFEXCVNHGCCX-UHFFFAOYSA-N
rxn:2:156072:160916,O=c1[nH]c2ccc(C#CCNC3CCN(c4ccc5sccc5c4)CC3)cc2o1,DZMHRLGFDVEGOR-UHFFFAOYSA-N
rxn:2:166110:142183,COc1ccc2ccccc2c1C1CC1NCC=N,FYVGXLNDLCXRLD-UHFFFAOYSA-N
rxn:2:74393:85327,Cc1ccc(-c2cc(C(C)NCc3ncno3)cs2)cc1,HSQPJCMJZKMDIZ-UHFFFAOYSA-N
rxn:2:86385:146828,CSCC(NCc1c[nH]nn1)c1ccc2cc(C)ccc2c1,RQGNYNIZVHLWRI-UHFFFAOYSA-N
rxn:2:72200:92488,CC(NCCCc1nnc[nH]1)c1cc(-c2ccsc2)cs1,GRFFLQVRCASCNN-UHFFFAOYSA-N
rxn:2:122353:96010,CC(NCCC#Cc1cccc(S(C)(=O)=O)c1)c1ccc(-c2ccsc2)cc1,WPHNQLOBBDGFPW-UHFFFAOYSA-N
rxn:2:133935:96010,CC(N[C@H]1CC[C@@H](CN2CC[C@H](F)C2)CC1)c1ccc(-c2ccsc2)cc1,BKRRJBKSOHHFDW-QJZTVDBMSA-N
rxn:2:111746:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCCCc1cnccn1,VCVHZCQVDGFRPN-UHFFFAOYSA-N
rxn:2:114259:173095,CCOCC#CCNC(C)c1ccc2sc3ccccc3c2c1,RFOSMILYSZAEKO-UHFFFAOYSA-N
rxn:2:99558:92488,COc1ccc(CCCNC(C)c2cc(-c3ccsc3)cs2)nn1,VOHXFRAEANDHPD-UHFFFAOYSA-N
rxn:2:150747:162938,C=C=Cc1ccc2oc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)cc2c1,URKKXACOMNWNSR-UHFFFAOYSA-N
rxn:2:85204:98873,CC(C)CC[C@H](NC1CC1)c1ccc2ccccc2c1,VZBLFTLAYNSWIW-IBGZPJMESA-N
rxn:2:119347:108959,CC(Nc1cnc2ncoc2c1)c1ccc(-c2cccs2)cc1,JPKKIMUKYJUCRR-UHFFFAOYSA-N
rxn:2:67593:122855,CC(NCC#Cc1cn[nH]c1)c1ccc(-c2cccs2)s1,DJJAMNISKVFTEJ-UHFFFAOYSA-N
rxn:2:92489:109025,Cc1csc(-c2cc(C(C)NCCCc3coc(N4CCN(C)CC4)n3)cs2)c1,FBEURLFRPHMRLL-UHFFFAOYSA-N
rxn:2:82511:108959,CC(NCCC#Cc1ccc2[nH]cnc2c1)c1ccc(-c2cccs2)cc1,JUJPTDSORCSXNX-UHFFFAOYSA-N
rxn:2:69750:156984,COc1csc(-c2ccc(C(C)NCCC#CCN3CCOCC3)c(C)c2)c1,KBYKYYBINCGISP-UHFFFAOYSA-N
rxn:2:79532:121697,CCCCCC1CCC(NC(C)c2ccc(OCC)c(C)c2)C1,VFJBRALARFUHBH-UHFFFAOYSA-N
rxn:2:108667:111147,CC(NCCOc1ccc(-c2cccs2)nn1)c1ccc(-c2nccs2)cc1,JELNTQLBSPBHDW-UHFFFAOYSA-N
rxn:2:118779:116842,COCc1cc(N2CCC(NC(C)c3ccc(-c4ccc(SC)cc4)s3)CC2)ncn1,IXTZWBYOSNAZMA-UHFFFAOYSA-N
rxn:2:104776:67686,COc1cccc(C(CN2CC2)NCC2CC2C(C)C)c1,BZZHDPLPFGVGBT-UHFFFAOYSA-N
rxn:2:138255:87790,COc1cccc2c(C(C)N[C@H]3CC[C@@H](CCN(C)C)CC3)csc12,BAQWPZYTXGGYOH-ALOPSCKCSA-N
rxn:2:167169:166934,COc1cccc2cc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)ccc12,PONNKAUCUSYJSS-UHFFFAOYSA-N
rxn:2:132002:113626,CC(NC1CC(C2CCN(C)CC2)C1)c1ccc(-c2cc[nH]c2)s1,YLHMQZOULGZORE-UHFFFAOYSA-N
rxn:2:80519:169810,COc1ccc2oc(-c3ccc(C(C)NCCCc4c[nH]c(=S)[nH]4)c(C)c3)cc2c1,OYXJEGOXEFZPCS-UHFFFAOYSA-N
rxn:2:120356:169851,CSc1ccc(-c2ccc(C(C)NCCC#Cc3c[nH]c(C)n3)cc2)cc1,OLYIMPXXBZELRF-UHFFFAOYSA-N
rxn:2:131506:120822,Cc1ccc(-c2ccc(C(C)NCCc3ccno3)cc2)s1,NUHDIHCOJOLZLD-UHFFFAOYSA-N
rxn:2:141397:161514,CNC(C)c1cc(-c2ccc3c(c2)CC3)cs1,NPJNJDJOVVUZNE-UHFFFAOYSA-N
rxn:2:114648:124273,CC(NCc1ccc(OCC2CCCN(C)C2)cc1)c1ccc(-c2cnsc2)s1,GEWQLEMFENIOTA-UHFFFAOYSA-N
rxn:2:118581:169412,Cc1csc(-c2ccc(CCC(C)NCCc3cnn4c3CCC4)cc2)c1,BGRVNBZOBKICAQ-UHFFFAOYSA-N
rxn:2:135610:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3ccc(=O)n(C)n3)cc2)cs1,JDDFANCAYOFTMZ-UHFFFAOYSA-N
rxn:2:166241:138996,Cc1cc(C(C)NCC#Cc2ccc3[nH]c(=O)[nH]c(=O)c3c2)ccc1-c1nccs1,OXIOZRJAFXCRFL-UHFFFAOYSA-N
rxn:2:91798:127220,Cc1ccc(-c2cc(C(C)NCC#Cc3ccc(OCCN(C)C)cc3)cs2)s1,UQFOCTNZGFWSFP-UHFFFAOYSA-N
rxn:2:104740:124273,COCc1cc(C2CC2CNC(C)c2ccc(-c3cnsc3)s2)cs1,OMFXNBBYLOTCSJ-UHFFFAOYSA-N
rxn:2:125549:173095,CC(NCCCCc1cccnc1)c1ccc2sc3ccccc3c2c1,IULHDUXGQCWFDW-UHFFFAOYSA-N
rxn:2:69232:169748,Cc1cc2cc[nH]c2cc1-c1ccc(C(C)NCCCc2ccoc2)s1,OOKMWEFXACRERZ-UHFFFAOYSA-N
rxn:2:132998:107408,CC(NCc1ccc(-c2ccc(=O)[nH]c2)cc1)c1ccc(-c2ccsc2)s1,YTDJHSDCSVCXBW-UHFFFAOYSA-N
rxn:2:124693:110041,CC(CNC(C)c1csc(-c2ccsc2)c1)c1nnn[nH]1,MTFBQTDJLBQIRR-UHFFFAOYSA-N
rxn:2:85122:123403,Cc1ccc2cc(C(C)NCCc3c[nH]nn3)sc2c1,KLWPRISMNQZGBD-UHFFFAOYSA-N
rxn:2:105485:85686,CC(NCc1ccc(N2CCC(N(C)C)CC2)cc1)c1csc(-c2cccs2)c1,FXZKNRRZBPESEK-UHFFFAOYSA-N
rxn:2:138592:71566,CCCCOC1CCC(NC(C)c2ccc(-c3ccsc3)cc2)CC1,ZNBIJCIFOLLAKG-UHFFFAOYSA-N
rxn:2:120097:170411,CCSc1ccc(-c2ccc(C(C)NC3CN(c4ncc(C)cn4)C3)c(C)c2)cc1,GIUMUHLTUURXIG-UHFFFAOYSA-N
rxn:2:95308:96514,Cc1nc(-c2cc(C(C)NCC#Cc3cnc4[nH]ccc4c3)cs2)cs1,XVFAYPFEOUTCHL-UHFFFAOYSA-N
rxn:2:140908:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCCc1cnoc1,FYGVOVOPIYCTTN-UHFFFAOYSA-N
rxn:2:131974:148477,CC(NCCCc1cnccn1)c1ccc2c(c1)CCc1ccccc1-2,FRYKIRFMOCZQSU-UHFFFAOYSA-N
rxn:2:101355:116515,CC(NCC#Cc1cnc2cc[nH]c2c1)c1ccc(-c2cccs2)nc1,XZNZUAXAWWKUKM-UHFFFAOYSA-N
rxn:2:70104:114519,Cc1sccc1-c1ccc(C(C)NCCC(C)(C)CC2CCCN(C)C2)cc1,UQPJXLIBAXUZMB-UHFFFAOYSA-N
rxn:2:89033:170892,CC(NCCc1cnoc1)c1ccc(-c2cc3sccc3s2)s1,IRKAGMKKYRQCED-UHFFFAOYSA-N
rxn:2:123413:103868,C=C=Cc1ccc(C(C)NCCC#Cc2ccc(S(=O)(=O)F)cc2)s1,QSWRZFGTBSOCSW-UHFFFAOYSA-N
rxn:2:82286:169412,Cc1csc(-c2ccc(CCC(C)NCCC#Cc3cncn3C)cc2)c1,IJWNKYNCEABMAT-UHFFFAOYSA-N
rxn:2:129122:151136,COc1cc(C#CCCNC(C)c2cc3cc(-c4cc[nH]c4)ccc3o2)ccn1,JSPUNEWVUZMRHB-UHFFFAOYSA-N
rxn:2:114435:169412,Cc1csc(-c2ccc(CCC(C)NCCSCc3nnc(C)n3C)cc2)c1,XVVBBFJMCOTSHZ-UHFFFAOYSA-N
rxn:2:116138:78538,Cc1ccsc1-c1ccc(C(C)NCCC2CC2c2ncc[nH]2)cc1,PDBNWYVSJVXLGV-UHFFFAOYSA-N
rxn:2:100097:169851,CSc1ccc(-c2ccc(C(C)NC3CCC(CCN(C)C)CC3)cc2)cc1,SZCWXKVVJPWXFF-UHFFFAOYSA-N
rxn:2:140546:173095,CC(NCc1nc(=O)o[nH]1)c1ccc2sc3ccccc3c2c1,GEYRFIUUBZERIT-UHFFFAOYSA-N
rxn:2:128825:173016,CC(NCCCc1cc[nH]c1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,TXVWNFGXVFUIBZ-UHFFFAOYSA-N
rxn:2:87202:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCc1cn[nH]c1,JZNSVWPVEQMVOU-UHFFFAOYSA-N
rxn:2:110768:68807,Cc1ccsc1-c1ccc(C(C)NCC#Cc2cnc3[nH]ncc3c2)s1,NIJLSSYVPKUCDP-UHFFFAOYSA-N
rxn:2:167592:110334,Cc1ccc2cc(C(C)NCC#Cc3cnc4[nH]c(=O)oc4c3)ccc2c1,KFTQMMHRCYIILT-UHFFFAOYSA-N
rxn:2:135415:170235,Cc1cccc(-c2ccc3oc(C(C)NCCCCc4c[nH]c(C)n4)cc3c2)c1,KWPXXUMNOOVONN-UHFFFAOYSA-N
rxn:2:124637:173095,CC(NCCCCc1ccncc1)c1ccc2sc3ccccc3c2c1,DVGPUMUFWUYLIK-UHFFFAOYSA-N
rxn:2:78571:110334,Cc1ccc2cc(C(C)Nc3cc[nH]c(=S)c3)ccc2c1,GPZYYHVGKFBDLD-UHFFFAOYSA-N
rxn:2:81817:88396,CCCc1c[nH]nc1NC(CN1CCCC1)c1ccc(C)cc1C,AOTXGYXFIJFWKT-UHFFFAOYSA-N
rxn:2:149922:110334,Cc1ccc2cc(C(C)NCC3CC3c3ccc4c(=O)[nH]cnc4c3)ccc2c1,FEXTXKGBAUVXEG-UHFFFAOYSA-N
rxn:2:136508:170668,CC(NCCCCc1nc[nH]n1)c1csc(-c2ccc(-c3ccco3)cc2)c1,LGSCJYXFTJAXRV-UHFFFAOYSA-N
rxn:2:110312:96010,CC(NCCc1cnc2cc[nH]cc1-2)c1ccc(-c2ccsc2)cc1,HPZJCDRWIPFSMS-UHFFFAOYSA-N
rxn:2:67380:94314,Cc1cccc2c(C(C)NC3CCC4(CC3)CCN(C)CC4)csc12,VVJKNJIPNSWMIC-UHFFFAOYSA-N
rxn:2:132396:170892,CC(NCCC1CC1c1ncccn1)c1ccc(-c2cc3sccc3s2)s1,JSCCPGZGZVXXSP-UHFFFAOYSA-N
rxn:2:100246:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3nnnn3C)cc2)cs1,CNGLZPTZLGCONW-UHFFFAOYSA-N
rxn:2:116427:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NC1CCc2ocnc21,XUWCSROMAMMHET-UHFFFAOYSA-N
rxn:2:75400:156984,CCOc1cc(N2CCC(NC(C)c3ccc(-c4cc(OC)cs4)cc3C)C2)ncn1,QDZJESJSKJOTBY-UHFFFAOYSA-N
rxn:2:110352:168058,CCNC(C)c1ccc2c(c1)CCc1cc(OC)ccc1-2,UZKUEMYGNJUXFQ-UHFFFAOYSA-N
rxn:2:163596:85115,CCS(=O)(=O)OCC1CCC(NC(C)c2ccc3c(c2)Cc2ccccc2-3)C1,JGPMQWMYTKRBLL-UHFFFAOYSA-N
rxn:2:85637:173095,CC(NCc1c[nH]c(=O)[nH]1)c1ccc2sc3ccccc3c2c1,WJRBKPUJDQVQPR-UHFFFAOYSA-N
rxn:2:125425:108959,CC(N[C@H]1CC[C@H](CN2CCOCC2)CC1)c1ccc(-c2cccs2)cc1,BMQAWQVKWNIGSV-NCRIQYHFSA-N
rxn:2:117364:143698,c1ccc2cc(C3CC(NCCOc4ccsc4)C3)ccc2c1,QBNMGQSEZVCTES-UHFFFAOYSA-N
rxn:2:70378:156943,COc1ccc(-c2ccc(C(C)NCCCCc3cc[nH]c3)s2)c(C)c1,QTASGVQJQWBUJD-UHFFFAOYSA-N
rxn:2:141856:102373,Cc1cccc(C#CCCNC2CC(c3ccc(C)s3)C2)n1,AXTLXBBGCIIHIC-UHFFFAOYSA-N
rxn:2:98374:171460,CCC(NCCCCc1[nH]cnc1C)c1ccc(-c2cc3ccccc3s2)cc1,KNQVPDUAOIFNEW-UHFFFAOYSA-N
rxn:2:86811:104467,CC(NC1CCC(CC2CCN(C)C2)CC1)c1csc2ccccc12,KZINFNRFCFWXAI-UHFFFAOYSA-N
rxn:2:82490:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCc3ncc(C)cn3)ccc1-2,DJBFVGAQQVLFQT-UHFFFAOYSA-N
rxn:2:76726:70192,Cc1ccc(OCCC(C)NCC#Cc2cnoc2)c(C)c1,NKWOETAXBZXZJF-UHFFFAOYSA-N
rxn:2:130209:171069,CC(NCCC#Cc1cnccn1)c1ccc(-c2csc3ccccc23)cc1,YTNIBVMTACBDNG-UHFFFAOYSA-N
rxn:2:91127:96010,CC(NCCC1CC1c1cncnc1)c1ccc(-c2ccsc2)cc1,WKTUWFURSBWSHS-UHFFFAOYSA-N
rxn:2:88304:151179,CC(Nc1ccno1)c1ccc2c(c1)-c1ccccc1-2,UCSSMGURQSTYIN-UHFFFAOYSA-N
rxn:2:150747:107956,Cc1ccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1,QFZUCGWWQVSMEH-UHFFFAOYSA-N
rxn:2:98416:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCc1cc(-c2ccccn2)n[nH]1,DGVHVMRBNCSGEO-UHFFFAOYSA-N
rxn:2:109725:108959,CC(NC1CCC(n2nccn2)CC1)c1ccc(-c2cccs2)cc1,RVLDEEVSWQSPAV-UHFFFAOYSA-N
rxn:2:140979:170060,Cc1cc(-c2ccc(CCC(C)NC3CCN(c4ncccn4)CC3)cc2)cs1,XVPDAUURPHGOFH-UHFFFAOYSA-N
rxn:2:83460:135410,CCCCC(Cc1ccc(C)c(C)c1)NC(CC)c1nnn[nH]1,MVMOBJKOEKGUFD-UHFFFAOYSA-N
rxn:2:87134:82388,CSc1cccc(C#CCCNC(C)c2ccc(-c3cnco3)cc2)c1,ZYSCDBGUYDLANZ-UHFFFAOYSA-N
rxn:2:96615:142183,Cc1cccc(OC(c2ccco2)C(C)NCC=N)c1,MCEFCLPDBHSZRM-UHFFFAOYSA-N
rxn:2:93504:148477,CC(NCCCc1cocn1)c1ccc2c(c1)CCc1ccccc1-2,OCRFTJXBHJIQHU-UHFFFAOYSA-N
rxn:2:72400:108959,Cc1cncc(C#CCNC(C)c2ccc(-c3cccs3)cc2)n1,OVFLOTIHFPROCF-UHFFFAOYSA-N
rxn:2:93504:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCCc1cocn1,VCNWCLDNGWJULB-UHFFFAOYSA-N
rxn:2:98374:170858,Cc1csc(-c2ccc(C(C)NCCCCc3[nH]cnc3C)cc2C)c1,KARLYUNUSAOARY-UHFFFAOYSA-N
rxn:2:92382:74143,C=C=Cc1cccc(C(C)Nc2cn[nH]c2)c1C,VACGWNGWYWZFOM-UHFFFAOYSA-N
rxn:2:134984:170060,COc1cc(CCONC(C)CCc2ccc(-c3csc(C)c3)cc2)on1,SGBGMNIBCGSIFC-UHFFFAOYSA-N
rxn:2:110858:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCOCc3cnn(C)c3)ccc1-2,UECOKDXDNHZFIY-UHFFFAOYSA-N
rxn:2:113171:120822,Cc1ccc(-c2ccc(C(C)NCCCc3cnn[nH]3)cc2)s1,ALGIFOVEUDGZIV-UHFFFAOYSA-N
rxn:2:76500:94517,COc1ccccc1C(CCN(C)C)Nc1csc2c1CSC2,HPXFJKCLNNYHDP-UHFFFAOYSA-N
rxn:2:101355:69508,CCC(NCC#Cc1cnc2cc[nH]c2c1)c1ccc(-c2ccsc2)cc1,IYJPXRFNDUIAOP-UHFFFAOYSA-N
rxn:2:105568:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2cn(C)cn2)cc1,YHDTXQINKBKPBM-UHFFFAOYSA-N
rxn:2:73951:108959,CC(Nc1cn[nH]c(=O)c1)c1ccc(-c2cccs2)cc1,LQFLDPYTYSHTOS-UHFFFAOYSA-N
rxn:2:92156:169412,CCOCc1nnc(CNC(C)CCc2ccc(-c3cc(C)cs3)cc2)[nH]1,SWMGUXFFSYFGAT-UHFFFAOYSA-N
rxn:2:76701:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCSc3ccnc(C)c3)ccc1-2,IMKVDNXPCZUHCJ-UHFFFAOYSA-N
rxn:2:68525:68807,COCc1cc(C#CCNC(C)c2ccc(-c3sccc3C)s2)cs1,HIVBXTQTWPIJSJ-UHFFFAOYSA-N
rxn:2:167592:95801,Cc1cc(C(C)NCC#Cc2cnc3[nH]c(=O)oc3c2)ccc1-c1cc[nH]c1,WFPQHZYFAIWSRY-UHFFFAOYSA-N
rxn:2:68737:97346,C(#Cc1cc[nH]n1)CCNC1CCC(c2ccsc2)CC1,DCJFCHRUSVDELB-UHFFFAOYSA-N
rxn:2:132002:123403,Cc1ccc2cc(C(C)NC3CC(C4CCN(C)CC4)C3)sc2c1,GTXZFQNZMJZGEC-UHFFFAOYSA-N
rxn:2:138255:118376,CN(C)CC[C@H]1CC[C@@H](NC2CCc3ccsc3C2)CC1,GLJAQLJBGGDTOH-JGHJKYEYSA-N
rxn:2:113894:169739,CCOc1ccc(-c2ccc(C(C)NC3CCc4[nH]ncc43)c(C)c2)cc1C,AZMUMVHRCRGLMN-UHFFFAOYSA-N
rxn:2:67817:142183,COc1ccc([C@H](CC2CC2)NCC=N)cc1C,GRTCHSPKHKETIX-AWEZNQCLSA-N
rxn:2:144636:76379,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cscn2)cc1,OJDUZBSITOCCGI-UHFFFAOYSA-N
rxn:2:125549:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCCCc1cccnc1,CQKJSOBRCQLNNP-UHFFFAOYSA-N
rxn:2:90327:100719,CCC(NCCCc1cnc[nH]1)c1ccc2ccccc2c1,RUIYNAIFVCXPDJ-UHFFFAOYSA-N
rxn:2:126471:171492,COCCO[C@H]1C[C@@H](NC(C)c2ccc(-c3cc4ccccc4s3)cc2)C1,NJJDOZBNSSGXFZ-QKUVIELKSA-N
rxn:2:119143:96010,Cc1cnc(OCCNC(C)c2ccc(-c3ccsc3)cc2)nc1,JJDIAMAHXVZBMF-UHFFFAOYSA-N
rxn:2:139201:94314,Cc1cccc2c(C(C)NCC(C)n3cnnn3)csc12,YDIMGJGKDSZJDC-UHFFFAOYSA-N
rxn:2:166241:67655,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(-c2ccccc2)cc1,DJHIQIHCQDSLML-UHFFFAOYSA-N
rxn:2:76625:126659,Cc1ccc2sc(C(C)NCCC#Cc3cnc[nH]3)cc2c1,VEOZAZAZEQPVBQ-UHFFFAOYSA-N
rxn:2:130788:104330,Cc1cnc(C#CCNC(C)c2ccc(-c3cc[nH]c3)cc2C)s1,YKVTXDMXMVRTLH-UHFFFAOYSA-N
rxn:2:68784:169412,Cc1csc(-c2ccc(CCC(C)NCCCCc3nccn3C)cc2)c1,PRGYRJYIJVICRJ-UHFFFAOYSA-N
rxn:2:135731:108959,CC(NCc1ccc(Oc2cnccn2)cc1)c1ccc(-c2cccs2)cc1,MOEFKCJTUCYDGL-UHFFFAOYSA-N
rxn:2:138933:129654,Cc1nc(-c2ccsc2)ccc1C(C)NCCCOc1cn[nH]c1,BCDXNSPJPJNHGO-UHFFFAOYSA-N
rxn:2:146036:85686,CC(NCC1CC1c1ccc2[nH]c(=O)[nH]c2c1)c1csc(-c2cccs2)c1,OZRZCJDUVLVJHZ-UHFFFAOYSA-N
rxn:2:142314:109025,Cc1csc(-c2cc(C(C)NCC#Cc3ccc4[nH]ccc(=O)c4c3)cs2)c1,CQGRHCFKASKEIH-UHFFFAOYSA-N
rxn:2:121375:171392,Cc1nc[nH]c1C#CCNC1CCC(c2csc3ccccc23)CC1,HBUUOBRVZXITEI-UHFFFAOYSA-N
rxn:2:116191:102427,Cc1cc(C#CCCNC(C)c2ccc3sncc3c2)cs1,NXGIJUXHSSNSIE-UHFFFAOYSA-N
rxn:2:137922:109025,CCOc1ncc(C#CCNC(C)c2csc(-c3cc(C)cs3)c2)cn1,UMIHTRHFEOLFGE-UHFFFAOYSA-N
rxn:2:141397:74209,CNC(C)c1cc2cccc(C)c2o1,PXCFWTHENDIFNE-UHFFFAOYSA-N
rxn:2:148180:68807,Cc1ccsc1-c1ccc(C(C)NCC2CC2c2ccc3[nH]c(=O)sc3c2)s1,XTORADCPYLIZRG-UHFFFAOYSA-N
rxn:2:105080:146533,CC(NCCc1cc[nH]c1)c1ccc(-c2ccc3cnoc3c2)s1,GALHWJXWHYUPSR-UHFFFAOYSA-N
rxn:2:118433:170668,CC(NCCCc1ncc[nH]1)c1csc(-c2ccc(-c3ccco3)cc2)c1,ZLGDIVZBSJFDID-UHFFFAOYSA-N
rxn:2:132131:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCCc1ncno1,PSVSNIDCLRVSJS-UHFFFAOYSA-N
rxn:2:73576:120822,Cc1ccc(-c2ccc(C(C)NCCCc3c[nH][nH]c3=O)cc2)s1,ZHFDHJMSZMEYBZ-UHFFFAOYSA-N
rxn:2:137728:108959,CC(Nc1cc2cncnc2s1)c1ccc(-c2cccs2)cc1,ZUWCQGLDFQCYKV-UHFFFAOYSA-N
rxn:2:67140:169851,CSc1ccc(-c2ccc(C(C)NCCCc3cnc(N(C)C)nc3)cc2)cc1,QDIASASORKSGCI-UHFFFAOYSA-N
rxn:2:118211:168058,COc1ccc2c(c1)CCc1cc(C(C)NCC(C)Cc3cn[nH]c3)ccc1-2,LKDTWABIGNMILX-UHFFFAOYSA-N
rxn:2:118166:146828,CSCC(Nc1conc1C)c1ccc2cc(C)ccc2c1,FZZRGNALHSTIGN-UHFFFAOYSA-N
rxn:2:164506:142183,N=CCNc1ccc2c(c1)sc1ccccc12,BKDBIEZOTGUPOV-UHFFFAOYSA-N
rxn:2:67058:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3nccn3C)cc2)cs1,QXIYTSZFJPNNCZ-UHFFFAOYSA-N
rxn:2:141847:141195,CCC(Nn1cnnn1)c1ccc(-c2sccc2C)cc1,BAHCFRQBDDTSPW-UHFFFAOYSA-N
rxn:2:107538:172618,CC(NCCCc1nc(C2CCOCC2)no1)c1cc(-c2cc3sccc3s2)cs1,VXCSUCOASKELEU-UHFFFAOYSA-N
rxn:2:113426:111147,CC(NCc1ccc(-c2ccc(=O)[nH]n2)cc1)c1ccc(-c2nccs2)cc1,LGTUQCKOSMLKLK-UHFFFAOYSA-N
rxn:2:113151:67686,COc1cccc(C(CN2CC2)NCC2(C)CC2)c1,CAXCCNASOHDRDK-UHFFFAOYSA-N
rxn:2:122341:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCc1cnccn1,MYGHVIBTZFPSFP-UHFFFAOYSA-N
rxn:2:72890:169666,CC(NCCCCc1c[nH]cn1)c1cc(-c2ccc(-c3cccnc3)cc2)cs1,IMBWTJQVRLIYNA-UHFFFAOYSA-N
rxn:2:75198:107408,CC(NC1CC2(CCN(C3CCOCC3)CC2)C1)c1ccc(-c2ccsc2)s1,KAFYKVABMCGWHN-UHFFFAOYSA-N
rxn:2:68410:170668,CC(NCCCn1nccn1)c1csc(-c2ccc(-c3ccco3)cc2)c1,AHCIDIHCRMEXIK-UHFFFAOYSA-N
rxn:2:119963:124273,COc1ccc(OC(C)CNC(C)c2ccc(-c3cnsc3)s2)cc1,YKJPKOUHMOQZMC-UHFFFAOYSA-N
rxn:2:104011:109108,Cc1ccccc1OCC1CC(NCC#Cc2ccc(N3CCN(C)CC3)cc2)C1,RIXNQYZIXKKXNK-UHFFFAOYSA-N
rxn:2:89642:170235,Cc1cccc(-c2ccc3oc(C(C)NCC(C)CCS(C)(=O)=O)cc3c2)c1,IADPOBJWSLBMCP-UHFFFAOYSA-N
rxn:2:122324:170892,COc1cc(C2CC2CNC(C)c2ccc(-c3cc4sccc4s3)s2)ccn1,BKZCCKFIKONCGS-UHFFFAOYSA-N
rxn:2:95601:67655,CC(NCC#Cc1cnn(-c2ncccn2)c1)c1ccc(-c2ccccc2)cc1,NSVSSVJALRCLIY-UHFFFAOYSA-N
rxn:2:85840:94314,Cc1cccc2c(C(C)NC3CC(c4nc(-c5cccs5)c[nH]4)C3)csc12,WLTPYVPHNFCSGO-UHFFFAOYSA-N
rxn:2:97858:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NCCc1cnc[nH]1,VLIVFZRXWMNAGZ-UHFFFAOYSA-N
rxn:2:106136:85686,CCn1cc(C#CCCNC(C)c2csc(-c3cccs3)c2)cn1,CUPQVUDHBIQZNK-UHFFFAOYSA-N
rxn:2:70829:67686,COc1cccc(C(CN2CC2)NC2CC2c2ccsc2)c1,FIOONEUUNHLICA-UHFFFAOYSA-N
rxn:2:70925:126659,Cc1ccc2sc(C(C)NCCC3CC3c3ccc[nH]3)cc2c1,UGTLUVHOJJNALU-UHFFFAOYSA-N
rxn:2:76617:108959,Cc1cncc(CCCNC(C)c2ccc(-c3cccs3)cc2)n1,SQZKIADKYFMGAV-UHFFFAOYSA-N
rxn:2:141544:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCSc1ncn[nH]1,HBMWQKRYMQTFQC-UHFFFAOYSA-N
rxn:2:132440:96010,CC(NCC#Cc1cc(N(C)C)ncn1)c1ccc(-c2ccsc2)cc1,SEQQBZQPIUMVAY-UHFFFAOYSA-N
rxn:2:107115:173095,CC(NCCCCc1ccccn1)c1ccc2sc3ccccc3c2c1,COTXBQHOEMXRSS-UHFFFAOYSA-N
rxn:2:67009:68807,COc1ccnc(C#CCNC(C)c2ccc(-c3sccc3C)s2)n1,FCUIPGPYRQEQPT-UHFFFAOYSA-N
rxn:2:92382:92488,CC(Nc1cn[nH]c1)c1cc(-c2ccsc2)cs1,HHICJEYVVOILFQ-UHFFFAOYSA-N
rxn:2:110352:125700,CCNC1CCC(C)CC1Cc1cc(C)cc(C)c1,IHAHEATZRUHSTB-UHFFFAOYSA-N
rxn:2:122923:162342,COCc1ccc(-c2ccc(C(C)NCCCc3ccc4[nH]c(=O)[nH]c4c3)s2)cc1,UGQZHTPPRVIGQP-UHFFFAOYSA-N
rxn:2:126579:81729,Cc1cc(C#CCNC2CC(Cc3ccc4c(c3)OCO4)C2)cs1,GVOCXOGZIVBAIC-UHFFFAOYSA-N
rxn:2:98624:108959,CCOc1cc(N2CCC(NC(C)c3ccc(-c4cccs4)cc3)CC2)ncn1,XHSGJRZKPYIUHS-UHFFFAOYSA-N
rxn:2:83460:170913,CCC(NC(C)c1ccc(-c2cc3ccccc3s2)cc1C)c1nnn[nH]1,KQSSGWXEKCDUGZ-UHFFFAOYSA-N
rxn:2:91798:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ccc(OCCN(C)C)cc2)cc1,WUONUWGSBJVCFL-UHFFFAOYSA-N
rxn:2:88848:170411,CCSc1ccc(-c2ccc(C(C)NCCC#Cc3ncccn3)c(C)c2)cc1,RYZKGJKDZZQQLR-UHFFFAOYSA-N
rxn:2:79774:97346,CCN1CCN(c2ccc(CCNC3CCC(c4ccsc4)CC3)cc2)CC1,NYCTYDXPDWVBKG-UHFFFAOYSA-N
rxn:2:139218:91582,Cc1ccc(C2CC(NCC#Cc3cnn(-c4cnccn4)c3)C2)cc1,LMCSYXSWTNLUEZ-UHFFFAOYSA-N
rxn:2:162493:163402,O=c1[nH]cnc2cc(C#CCNC3CC(c4cccc5ccccc45)C3)ccc12,AMYCOFVPWKTCME-UHFFFAOYSA-N
rxn:2:132998:129880,Cc1nc(-c2cccs2)ccc1C(C)NCc1ccc(-c2ccc(=O)[nH]c2)cc1,UZHUXXJEOJCVSR-UHFFFAOYSA-N
rxn:2:130209:169300,Cc1ccc(-c2ccc3oc(C(C)NCCC#Cc4cnccn4)cc3c2)s1,QGPZJDCLSQFSSP-UHFFFAOYSA-N
rxn:2:85840:123403,Cc1ccc2cc(C(C)NC3CC(c4nc(-c5cccs5)c[nH]4)C3)sc2c1,NHWGCMLTWCNUNS-UHFFFAOYSA-N
rxn:2:138381:172618,CC(NCCOc1cc(N2CCC2)ncn1)c1cc(-c2cc3sccc3s2)cs1,FKOVHBJGGWWEJE-UHFFFAOYSA-N
rxn:2:87972:67686,COc1cccc(C(CN2CC2)Nc2cnc3sccc3c2C)c1,BWRKPQKYVVKRRW-UHFFFAOYSA-N
rxn:2:142622:111147,CC(NCCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2nccs2)cc1,HNZITWGRLATHGW-UHFFFAOYSA-N
rxn:2:70667:120822,Cc1ccc(-c2ccc(C(C)NCCC#Cc3ccc(N(C)C)nc3)cc2)s1,CNRHAXIEUPPNRG-UHFFFAOYSA-N
rxn:2:92934:122855,CC(NCC#Cc1ccc2[nH]nnc2c1)c1ccc(-c2cccs2)s1,FFJCRZJWPRGYEJ-UHFFFAOYSA-N
rxn:2:97858:172752,Cc1cc(-c2cccs2)cc(C)c1C(C)NCCc1cnc[nH]1,FFPHZIRVAMULJR-UHFFFAOYSA-N
rxn:2:127318:170060,Cc1cc(C#CCNC(C)CCc2ccc(-c3csc(C)c3)cc2)ncn1,QKOCGRQZBGFBQR-UHFFFAOYSA-N
rxn:2:114509:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2cnn(C)c2)cc1,ZQSYRSYGLJPZBB-UHFFFAOYSA-N
rxn:2:104011:68807,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ccc(N3CCN(C)CC3)cc2)s1,HOCPNHCWRNLRNR-UHFFFAOYSA-N
rxn:2:73585:126659,Cc1ccc2sc(C(C)NCCCc3c[nH]cn3)cc2c1,IFYQBSXKWKRKLK-UHFFFAOYSA-N
rxn:2:99842:88952,CC(CCCCc1cccs1)NCC1CC1c1ccc(N2CCN(C)CC2)cc1,ZAZLMUCWWFPYGV-UHFFFAOYSA-N
rxn:2:70411:141988,Cc1cc(-c2ccc(C(C)NCC3CC3c3cnc4cc[nH]c4c3)s2)cs1,YDJSDHWBYVCHNK-UHFFFAOYSA-N
rxn:2:91779:109025,Cc1csc(-c2cc(C(C)NCCCc3ccc4[nH]c(=O)oc4c3)cs2)c1,ARIOIWLYWXBPBP-UHFFFAOYSA-N
rxn:2:77397:85686,CC(NCCCc1nnc(-c2ccc(=O)[nH]n2)o1)c1csc(-c2cccs2)c1,HNTNRKQNWAVLOI-UHFFFAOYSA-N
rxn:2:118855:170060,CCOc1cc(CNC(C)CCc2ccc(-c3csc(C)c3)cc2)nn1C,HMSGFKLUZHCZMS-UHFFFAOYSA-N
rxn:2:140546:170892,CC(NCc1nc(=O)o[nH]1)c1ccc(-c2cc3sccc3s2)s1,GKSOVFZWPUGWMS-UHFFFAOYSA-N
rxn:2:79242:107408,CC(N[C@H]1CC[C@H](Oc2cnccn2)CC1)c1ccc(-c2ccsc2)s1,FCDKWMXNICMMID-ZCQHSFHSSA-N
rxn:2:66041:122855,CCCCCC1CCC(NC(C)c2ccc(-c3cccs3)s2)CC1,XIOTYVDAQMTVEX-UHFFFAOYSA-N
rxn:2:86811:139599,Cc1ccc(-c2ccc(C(C)NC3CCC(CC4CCN(C)C4)CC3)s2)cc1,VYVRLNIDZPMBLQ-UHFFFAOYSA-N
rxn:2:67380:126659,Cc1ccc2sc(C(C)NC3CCC4(CC3)CCN(C)CC4)cc2c1,IQKBHXZHMDFDEH-UHFFFAOYSA-N
rxn:2:110352:151136,CCNC(C)c1cc2cc(-c3cc[nH]c3)ccc2o1,VKRBEQAJZPYNPJ-UHFFFAOYSA-N
rxn:2:117731:120822,Cc1ccc(-c2ccc(C(C)NCCc3ncn[nH]3)cc2)s1,YCXDBFUDQZVXTM-UHFFFAOYSA-N
rxn:2:101814:172618,CC(NCCOc1ccc(-c2cccnc2)nn1)c1cc(-c2cc3sccc3s2)cs1,PNCJBZBGYVDNCE-UHFFFAOYSA-N
rxn:2:132946:170813,CCC(NCCCS(C)(=N)=O)c1ccc(-c2cc3cc(OC)ccc3o2)cc1,OTPGHKVLJPFVNC-UHFFFAOYSA-N
rxn:2:117897:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cc(C)n(C)n3)cc2)cs1,GEDCCYBJFPZOHD-UHFFFAOYSA-N
rxn:2:88500:171734,C[C@]12CCC3c4ccccc4CCC3C1CCC2NCc1cnns1,RCEVJXLQUFPHBC-ALAWOQLPSA-N
rxn:2:133259:92488,CC(NCC1CC1c1ccc(-c2c[nH]cn2)cc1)c1cc(-c2ccsc2)cs1,VMLOCGYSGJSIOR-UHFFFAOYSA-N
rxn:2:107846:109025,Cc1csc(-c2cc(C(C)NCCCc3cnc(C)s3)cs2)c1,XOQIKHBXWAJLKN-UHFFFAOYSA-N
rxn:2:131932:166934,COc1cccc2cc(C(C)N[C@H]3CCc4c[nH]cc43)ccc12,YDNXBBXOUIJJLS-YFKXAPIDSA-N
rxn:2:131517:170060,Cc1cc(-c2ccc(CCC(C)NCCC(C)S(=O)(=O)C3CCCC3)cc2)cs1,ONQFRQFGGZGRME-UHFFFAOYSA-N
rxn:2:167768:108959,CC(NCC#Cc1ccc2nccnc2c1)c1ccc(-c2cccs2)cc1,NIXXPCYTQVNPPJ-UHFFFAOYSA-N
rxn:2:97318:126659,Cc1ccc2sc(C(C)NCCc3cocn3)cc2c1,YQMVRRSXKHBTMZ-UHFFFAOYSA-N
rxn:2:81401:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCc3ccon3)ccc1-2,WIVKIVMRKPHJMW-UHFFFAOYSA-N
rxn:2:95342:120822,Cc1ccc(-c2ccc(C(C)NCCCC3CCN(C)C3)cc2)s1,QNDOCJMPFIUUTP-UHFFFAOYSA-N
rxn:2:84871:120822,Cc1ccc(-c2ccc(C(C)NCCC3CC3c3cnccn3)cc2)s1,YTWTUERFBATVET-UHFFFAOYSA-N
rxn:2:127318:109025,Cc1csc(-c2cc(C(C)NCC#Cc3cc(C)ncn3)cs2)c1,BFEOSGZPQNEONK-UHFFFAOYSA-N
rxn:2:68410:165512,Cc1ccsc1-c1ccc2c(c1)CCC2NCCCn1nccn1,DBKRCALRQDWWBD-UHFFFAOYSA-N
rxn:2:68410:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCCn1nccn1,HGGHLLRAKYCQNL-UHFFFAOYSA-N
rxn:2:85630:129654,Cc1nc(-c2ccsc2)ccc1C(C)NCCCOc1cnn(C)c1,XKQTZIHPHBGYJJ-UHFFFAOYSA-N
rxn:2:149922:94314,Cc1cccc2c(C(C)NCC3CC3c3ccc4c(=O)[nH]cnc4c3)csc12,HEFOVNBYSFPXFS-UHFFFAOYSA-N
rxn:2:121876:142183,COCC(Cc1cc(C)ccc1C)NCC=N,HOOQKKSLAMTUQO-UHFFFAOYSA-N
rxn:2:70378:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NCCCCc1cc[nH]c1,QZLWYGAILMUFKJ-UHFFFAOYSA-N
rxn:2:101551:120822,CCCc1cc(N2CCC(NC(C)c3ccc(-c4ccc(C)s4)cc3)C2)ncn1,UWEMMZILQXAIFF-UHFFFAOYSA-N
rxn:2:120758:123403,CCCn1cnnc1CC1CC(NC(C)c2cc3ccc(C)cc3s2)C1,PUTPHUBUYZVTLR-UHFFFAOYSA-N
rxn:2:116191:161103,Cc1cc(C#CCCNC(C)c2ccc3c(c2)Cc2ccccc2-3)cs1,AVPYURLQWSNIBV-UHFFFAOYSA-N
rxn:2:131953:169412,Cc1csc(-c2ccc(CCC(C)NCCCCc3nnn[nH]3)cc2)c1,PGSXGLQJYDAMMV-UHFFFAOYSA-N
rxn:2:121028:171069,CC(NCCSc1cnccn1)c1ccc(-c2csc3ccccc23)cc1,ZRBJNCCPXNOKBB-UHFFFAOYSA-N
rxn:2:77371:170060,Cc1cc(-c2ccc(CCC(C)NCC#Cc3ccoc3)cc2)cs1,KBUDWJGAZWDCRO-UHFFFAOYSA-N
rxn:2:68525:89838,COCc1cc(C#CCNC(C)c2ccc3nc(C)sc3c2)cs1,RLMPGGVUVDRERA-UHFFFAOYSA-N
rxn:2:68525:146533,COCc1cc(C#CCNC(C)c2ccc(-c3ccc4cnoc4c3)s2)cs1,ZNXXZPNZGYCHFN-UHFFFAOYSA-N
rxn:2:128354:170060,Cc1cc(-c2ccc(CCC(C)NCCc3noc(C4CC4C)n3)cc2)cs1,ABXXBVOBHCKGNZ-UHFFFAOYSA-N
rxn:2:125968:171669,Cc1cc(-c2ccc(C(C)NCCCCc3cnn(C)c3)cc2)c(C)s1,YEIPAWYCMOZBSK-UHFFFAOYSA-N
rxn:2:134984:169412,COc1cc(CCONC(C)CCc2ccc(-c3cc(C)cs3)cc2)on1,NGZVDUXTDXXYKX-UHFFFAOYSA-N
rxn:2:84123:108959,CC(NCCCCC1(C)N=N1)c1ccc(-c2cccs2)cc1,RSJFNFPZQNEBAE-UHFFFAOYSA-N
rxn:2:98472:96010,CC(Nc1ccc(SCc2cnn(C)c2)nc1)c1ccc(-c2ccsc2)cc1,JFQABCUHUCCOCS-UHFFFAOYSA-N
rxn:2:67187:88359,CCC(Nc1cncnc1)c1ccc(-c2cscc2C)cc1,VQIRZKQXESRELL-UHFFFAOYSA-N
rxn:2:135125:169300,COc1ncc(C#CCNC(C)c2cc3cc(-c4ccc(C)s4)ccc3o2)cn1,OLRKLAUEWYSNQT-UHFFFAOYSA-N
rxn:2:137816:143698,CSc1ncc(C#CCNC2CC(c3ccc4ccccc4c3)C2)cn1,IEZHQBRYWYUKEF-UHFFFAOYSA-N
rxn:2:83688:78538,Cc1ccsc1-c1ccc(C(C)NCC2CC2c2ccc(S(C)(=O)=O)cc2)cc1,GXRVZBBFKGMCMZ-UHFFFAOYSA-N
rxn:2:92660:85686,CSCc1ncc(CCNC(C)c2csc(-c3cccs3)c2)cn1,CWRGBYXAGGLLPM-UHFFFAOYSA-N
rxn:2:118279:169748,Cc1cc2cc[nH]c2cc1-c1ccc(C(C)NCCCc2cscn2)s1,PKKRALOWPAKAHO-UHFFFAOYSA-N
rxn:2:164315:108959,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(-c2cccs2)cc1,AIBWINLOMCRZHQ-UHFFFAOYSA-N
rxn:2:87963:120822,Cc1ccc(-c2ccc(C(C)N[C@H](C)c3cnco3)cc2)s1,UVFWROVDOQJEMZ-ARLHGKGLSA-N
rxn:2:146036:150277,COc1csc(-c2ccc(CCC(C)NCC3CC3c3ccc4[nH]c(=O)[nH]c4c3)cc2)c1,IVYSSBKENQEXKN-UHFFFAOYSA-N
rxn:2:125962:109382,C[C@@H](NC1CCC(c2nccs2)CC1)c1ccc(-c2cccs2)cc1,SCGLKSWKBULZOV-VNCLNFNDSA-N
rxn:2:129587:108959,CC(NCCCc1ncccn1)c1ccc(-c2cccs2)cc1,WUQSAMGGRRSERL-UHFFFAOYSA-N
rxn:2:138459:169851,CSc1ccc(-c2ccc(C(C)NC3CCN(c4[nH]cnc5ncnc4-5)CC3)cc2)cc1,LEWDFPPTXLNPKY-UHFFFAOYSA-N
rxn:2:79984:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)Nc1ccnnc1,QQZLTCLQCAMFAY-UHFFFAOYSA-N
rxn:2:82511:85686,CC(NCCC#Cc1ccc2[nH]cnc2c1)c1csc(-c2cccs2)c1,VVZPIQKMERCJGD-UHFFFAOYSA-N
rxn:2:76009:116842,COc1cc(C#CCNC(C)c2ccc(-c3ccc(SC)cc3)s2)ncn1,WHUKFFVCDPQMDM-UHFFFAOYSA-N
rxn:2:122353:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCC#Cc1cccc(S(C)(=O)=O)c1,FUYQOLDMJFTKSI-UHFFFAOYSA-N
rxn:2:98861:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NC1CN(c2ccccn2)C1,ZOUPWRZDDUVXMD-UHFFFAOYSA-N
rxn:2:126006:107408,CC(NCCCN(C)c1ncccn1)c1ccc(-c2ccsc2)s1,QQUSMHNMABZIRC-UHFFFAOYSA-N
rxn:2:156072:150298,Cc1cccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)oc4c3)cc2)n1,NELRNHPQGIVOMH-UHFFFAOYSA-N
rxn:2:144636:169594,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc2c(ccc3ccccc32)c1,DUHPHEHYEPJIDR-UHFFFAOYSA-N
rxn:2:132899:173095,CC(NCCc1nncs1)c1ccc2sc3ccccc3c2c1,OXPXDTALRUXFMT-UHFFFAOYSA-N
rxn:2:73951:172317,CCSc1ccc(-c2ccc(C(CC)Nc3cn[nH]c(=O)c3)cc2)cc1,GDKSGSTWRHIALK-UHFFFAOYSA-N
rxn:2:126506:107408,CC(NC1CC(Oc2cnccn2)C1)c1ccc(-c2ccsc2)s1,ANYUARFZALNPSS-UHFFFAOYSA-N
rxn:2:92660:139886,CSCc1ncc(CCNC(C)c2ccc(-c3ccco3)cc2)cn1,WNROBBVCOLANDR-UHFFFAOYSA-N
rxn:2:150155:96010,CC(NCC#Cc1nc2c([nH]1)c(=O)[nH]c(=O)n2C)c1ccc(-c2ccsc2)cc1,LNZQXJYJHQVJME-UHFFFAOYSA-N
rxn:2:83713:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NC1CN(c2ccccc2)C1,CGRSJESLFBEXOC-UHFFFAOYSA-N
rxn:2:122055:96010,CC(NCCCc1cnc2[nH]ccc2n1)c1ccc(-c2ccsc2)cc1,VUWTZSIVIQGSEM-UHFFFAOYSA-N
rxn:2:90089:91624,CCc1cscc1NC(CCN(C)C)c1ccccc1,RTHLFUCZZNGXBZ-UHFFFAOYSA-N
rxn:2:167790:170892,CC(NCCCc1ccc2c(c1)oc(=O)n2C)c1ccc(-c2cc3sccc3s2)s1,IXSNGJKSNHEBMI-UHFFFAOYSA-N
rxn:2:128754:108959,CC(NC1CCN(c2cc(N(C)C(C)C)ncn2)C1)c1ccc(-c2cccs2)cc1,MQJBJPMLHLRWGN-UHFFFAOYSA-N
rxn:2:99645:170892,COc1ccc(C2CC2CNC(C)c2ccc(-c3cc4sccc4s3)s2)nc1,LVNFBDGQCJWZQQ-UHFFFAOYSA-N
rxn:2:134110:78538,Cc1ccsc1-c1ccc(C(C)NCCc2ncon2)cc1,SQDVGZWDQYCDPR-UHFFFAOYSA-N
rxn:2:141381:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NC1CN(c2ccncn2)C1,XAYGHLUHHXLHNZ-UHFFFAOYSA-N
rxn:2:126885:170892,CCCS(=O)(=O)CCNC(C)c1ccc(-c2cc3sccc3s2)s1,UZVITXCAVVOCRK-UHFFFAOYSA-N
rxn:2:145188:90126,CC(NCCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2ccsc2)cn1,AFEZXUIMJNVHJM-UHFFFAOYSA-N
rxn:2:79379:173016,CC(NCCCOc1ncccn1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,TTZNLTUYDBGWMZ-UHFFFAOYSA-N
rxn:2:155314:110041,CC(NCCCCc1ccc2[nH]c(=O)sc2c1)c1csc(-c2ccsc2)c1,VHLRLEABUYMIMN-UHFFFAOYSA-N
rxn:2:150747:69998,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccoc2)cc1,WBSOGJLFJKEECC-UHFFFAOYSA-N
rxn:2:70084:89572,CN(C)CCC(Nc1csc2c1CCCC2)c1ccco1,CQRUDHKPPRJHQU-UHFFFAOYSA-N
rxn:2:142622:76379,CC(NCCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cscn2)cc1,VDOFGKYKDDPOIQ-UHFFFAOYSA-N
rxn:2:105969:170060,COc1ccc(OCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)cc1,MASOGELMOGRTBM-UHFFFAOYSA-N
rxn:2:112442:120822,Cc1ccc(-c2ccc(C(C)N[C@H]3CC[C@H](COc4cnn(C)c4)CC3)cc2)s1,GZGQXDISWGPAPU-NCRIQYHFSA-N
rxn:2:93644:168058,COc1ccc2c(c1)CCc1cc(C(C)Nc3cn[nH]n3)ccc1-2,BSKUNMWRWSXTEC-UHFFFAOYSA-N
rxn:2:122351:83338,COc1ccc(CCC(C)Nc2c[nH]nn2)c(C)c1,YFTOCIVWHXBLTL-UHFFFAOYSA-N
rxn:2:141397:110310,CCCCC(NC)c1ccc2ccccc2c1,IFZWPKHBSZTGNR-UHFFFAOYSA-N
rxn:2:94463:67686,COc1cccc(C(CN2CC2)Nc2cccc3ncsc23)c1,LMJZKWHBQVEKGP-UHFFFAOYSA-N
rxn:2:91798:110041,CC(NCC#Cc1ccc(OCCN(C)C)cc1)c1csc(-c2ccsc2)c1,GGVROAPHARAKDI-UHFFFAOYSA-N
rxn:2:134698:83411,CC(NC1CCCC(n2nccn2)C1)c1ccc(-c2cccs2)cc1,LDQIKMROCVBFHU-UHFFFAOYSA-N
rxn:2:87579:169666,CC(NCCCCc1ccn(C)n1)c1cc(-c2ccc(-c3cccnc3)cc2)cs1,LEDPHOFIMFNNGA-UHFFFAOYSA-N
rxn:2:137743:138122,c1cc(CCCCNC2CCc3sccc3C2)cs1,VFFLLYDHWCTRRI-UHFFFAOYSA-N
rxn:2:114168:127220,Cc1ccc(-c2cc(C(C)NCCCOc3cc[nH]n3)cs2)s1,ILSAATCCVGEZMK-UHFFFAOYSA-N
rxn:2:125962:89258,CC(N[C@H](C)c1ccc(-c2cccs2)cc1)c1ccc2cn[nH]c2c1,IHZDWSXLGHYPLS-GICMACPYSA-N
rxn:2:171557:142183,CCCC[C@@H](NCC=N)c1ccc(C)c2ccccc12,MUURHNQMSVPTIP-GOSISDBHSA-N
rxn:2:150747:145184,O=c1[nH]c2ccc(C#CCNC3CCC(c4c[nH]c5ccccc45)CC3)cc2[nH]1,HGZINRUGRUGMBA-UHFFFAOYSA-N
rxn:2:138457:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ccc(-c3nn[nH]n3)cc2)cc1,QKXDFJLFYCSQPR-UHFFFAOYSA-N
rxn:2:125198:127220,Cc1ccc(-c2cc(C(C)NCCn3ncnn3)cs2)s1,JKAVPLYHZHZBJX-UHFFFAOYSA-N
rxn:2:93099:91563,Cc1cc(-c2ccco2)ccc1C(C)NC(C)c1ccn[nH]1,NTRPFHYLPQWLRX-UHFFFAOYSA-N
rxn:2:66397:142183,Cc1cc(C)c([C@H](NCC=N)C2CCCC2)c(C)c1,BYFVKSKHXVMWHR-QGZVFWFLSA-N
rxn:2:101118:98873,c1ccc2cc([C@H](NC3CC3)C3CCC3)ccc2c1,DXJJKISTWYQFKD-GOSISDBHSA-N
rxn:2:95355:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3c[nH]nc3C)cc2)cs1,OEDADLOTKHOSAK-UHFFFAOYSA-N
rxn:2:67624:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NC1CN(c2cnccn2)C1,MPQKTRYDNOIZNV-UHFFFAOYSA-N
rxn:2:70816:116515,CC(NCC1CC1c1ccc2nccnc2c1)c1ccc(-c2cccs2)nc1,KLDUBZNUOFYUKF-UHFFFAOYSA-N
rxn:2:117731:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCc1ncn[nH]1,UUQRHAPCYXBBTD-UHFFFAOYSA-N
rxn:2:91779:150277,COc1csc(-c2ccc(CCC(C)NCCCc3ccc4[nH]c(=O)oc4c3)cc2)c1,ICCZNHPBBGZQFI-UHFFFAOYSA-N
rxn:2:144681:122855,CC(NCCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2cccs2)s1,WKNQXGOEGKUUHS-UHFFFAOYSA-N
rxn:2:140546:88952,CC(CCCCc1cccs1)NCc1nc(=O)o[nH]1,BOFVDDVIUCHENU-UHFFFAOYSA-N
rxn:2:120365:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCC#Cc1ccoc1,MIDZJJJYPJTIPD-UHFFFAOYSA-N
rxn:2:132002:102373,Cc1ccc(C2CC(NC3CC(C4CCN(C)CC4)C3)C2)s1,OFHJPZWYFJWCRX-UHFFFAOYSA-N
rxn:2:162493:105749,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2ccco2)cn1,XPLKMQJZNCKMHJ-UHFFFAOYSA-N
rxn:2:76500:131033,COc1cccc(C(CCN(C)C)Nc2csc3c2CSC3)c1,CLIPUPPVTUWCJN-UHFFFAOYSA-N
rxn:2:124486:108959,Cc1cc2[nH]c(CNC(C)c3ccc(-c4cccs4)cc3)cn2n1,LVVKZOBKLUDTOK-UHFFFAOYSA-N
rxn:2:126498:169666,CC(NCCCCc1ccoc1)c1cc(-c2ccc(-c3cccnc3)cc2)cs1,UPPQVQOHUHJRIH-UHFFFAOYSA-N
rxn:2:77202:169748,Cc1cc2cc[nH]c2cc1-c1ccc(C(C)NCCCc2cn[nH]c2)s1,MUMAWRZEYWBJLI-UHFFFAOYSA-N
rxn:2:145750:85686,CC(NCCC#Cc1ccc2[nH]c(=O)oc(=O)c2c1)c1csc(-c2cccs2)c1,SYXJTHVQHOYXBG-UHFFFAOYSA-N
rxn:2:99685:67686,COc1cccc(C(CN2CC2)NCC2CCC2)c1,DAWIWSCLVVZLPP-UHFFFAOYSA-N
rxn:2:120365:156984,COc1csc(-c2ccc(C(C)NCCC#Cc3ccoc3)c(C)c2)c1,BDEUOHINMJASEI-UHFFFAOYSA-N
rxn:2:70378:171933,CCOc1ccc(-c2ccc(C(C)NCCCCc3cc[nH]c3)s2)cc1,KYRFCJUGDNQFHF-UHFFFAOYSA-N
rxn:2:107531:172032,Cc1ccc(-c2ccc(C(C)NCc3nn[nH]n3)cc2)c(C)c1,HRKUMAVTQDSOCT-UHFFFAOYSA-N
rxn:2:137534:120822,Cc1ccc(-c2ccc(C(C)NCCc3nnco3)cc2)s1,DXTXIUPQADHUNQ-UHFFFAOYSA-N
rxn:2:122568:170060,CCCc1nc(CNC(C)CCc2ccc(-c3csc(C)c3)cc2)no1,FTGRPQCUGKSKLN-UHFFFAOYSA-N
rxn:2:94616:108959,CCc1cc(OC2CCC(NC(C)c3ccc(-c4cccs4)cc3)CC2)ncn1,UYVXBZNCDYCMGZ-UHFFFAOYSA-N
rxn:2:130477:96010,CC(NCCCc1ccc[nH]1)c1ccc(-c2ccsc2)cc1,ADTKTMGTNMSWPN-UHFFFAOYSA-N
rxn:2:134942:169666,Cc1cnc(CCCNC(C)c2cc(-c3ccc(-c4cccnc4)cc3)cs2)o1,STGCYMKFNMNSIP-UHFFFAOYSA-N
rxn:2:91798:109025,Cc1csc(-c2cc(C(C)NCC#Cc3ccc(OCCN(C)C)cc3)cs2)c1,CIPDPFFKQCYSFP-UHFFFAOYSA-N
rxn:2:167169:142055,COc1nc2cc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)ccc2s1,GEKCRADSYHEXHY-UHFFFAOYSA-N
rxn:2:87971:126659,Cc1ccc2sc(C(C)N[C@H]3CC[C@H](CCN(C)C)CC3)cc2c1,XEJRQBZIDNGLGW-UTPHLMKXSA-N
rxn:2:76089:172618,Cc1ccnc(CCCCNC(C)c2cc(-c3cc4sccc4s3)cs2)n1,UDVINMZNOAQURQ-UHFFFAOYSA-N
rxn:2:129699:108959,CC(NC1CCN(c2cc(C3CCCC3)ncn2)C1)c1ccc(-c2cccs2)cc1,JUYQSCPZCMVSGZ-UHFFFAOYSA-N
rxn:2:113399:91563,CCC#CCCNC(C)c1ccc(-c2ccco2)cc1C,NUPADJSOIIXJHQ-UHFFFAOYSA-N
rxn:2:130089:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCCS(=O)(=O)[O-],HKWIYRZSNHMYEX-UHFFFAOYSA-M
rxn:2:139798:150277,COc1csc(-c2ccc(CCC(C)NCCCc3cnc4nc[nH]c4c3)cc2)c1,JGFNKVHQBHYSNC-UHFFFAOYSA-N
rxn:2:146036:123403,Cc1ccc2cc(C(C)NCC3CC3c3ccc4[nH]c(=O)[nH]c4c3)sc2c1,SRVUZEWFDHURKE-UHFFFAOYSA-N
rxn:2:96712:95801,Cc1cc(C(C)NCCCc2ccsn2)ccc1-c1cc[nH]c1,VMCFYOYJPQFNGV-UHFFFAOYSA-N
rxn:2:82287:70192,Cc1ccc(OCCC(C)N[C@H]2COc3ccnn3C2)c(C)c1,KUBNGKVVEAIROC-OEMAIJDKSA-N
rxn:2:79478:169412,Cc1csc(-c2ccc(CCC(C)NCCC3CCS(=O)(=O)C3)cc2)c1,XDSBMLKXDAIZQO-UHFFFAOYSA-N
rxn:2:106387:85686,Cc1cc(N2CC[C@H](NC(C)c3csc(-c4cccs4)c3)C2)ncn1,AEEOGPCBBATTEC-WMCAAGNKSA-N
rxn:2:149481:150277,COc1csc(-c2ccc(CCC(C)NCC3CC3c3cnc4[nH]c(=O)oc4c3)cc2)c1,UQVLTDUUPGEDNK-UHFFFAOYSA-N
rxn:2:99842:96010,CC(NCC1CC1c1ccc(N2CCN(C)CC2)cc1)c1ccc(-c2ccsc2)cc1,XYPJCLWSWGJMJP-UHFFFAOYSA-N
rxn:2:92937:128314,C(#Cc1ccc2ccsc2c1)CCNC1CCC(c2cnccn2)CC1,HBMPTDCHVVZOHC-UHFFFAOYSA-N
rxn:2:96712:120822,Cc1ccc(-c2ccc(C(C)NCCCc3ccsn3)cc2)s1,TVJKUEZBVBLAAL-UHFFFAOYSA-N
rxn:2:105568:171392,Cn1cnc(C#CCNC2CCC(c3csc4ccccc34)CC2)c1,FOMDTGPIXOZECW-UHFFFAOYSA-N
rxn:2:134802:171231,CCOc1cc(C)c(-c2csc(C(C)NCC3CC3c3ccc[nH]3)c2)cc1C,VFDUDZVKQNXSQF-UHFFFAOYSA-N
rxn:2:102843:170060,Cc1cc(-c2ccc(CCC(C)NCCc3cc(-c4cnccn4)n[nH]3)cc2)cs1,WMTXSIRBXNFISI-UHFFFAOYSA-N
rxn:2:122705:141988,Cc1cc(-c2ccc(C(C)NCCCc3ccc(-c4nn[nH]n4)cc3)s2)cs1,HYIHWQCWZGQISZ-UHFFFAOYSA-N
rxn:2:138457:141988,Cc1cc(-c2ccc(C(C)NCC#Cc3ccc(-c4nn[nH]n4)cc3)s2)cs1,OACITEUWZHYVHQ-UHFFFAOYSA-N
rxn:2:88848:69508,CCC(NCCC#Cc1ncccn1)c1ccc(-c2ccsc2)cc1,ROWCDFMAEPEQLB-UHFFFAOYSA-N
rxn:2:87876:67213,C(#Cc1cccs1)CCNC1CCC(Cc2ccccc2)C1,PPQBQACLHKQPCV-UHFFFAOYSA-N
rxn:2:95795:85686,Cc1cnc(CCCNC(C)c2csc(-c3cccs3)c2)cn1,QUMPGZHOGSPAPZ-UHFFFAOYSA-N
rxn:2:97543:146828,CSCC(NCCc1nnn[nH]1)c1ccc2cc(C)ccc2c1,GWNGOKIXLBHGAS-UHFFFAOYSA-N
rxn:2:102522:169340,COc1ccc(C#CCNC(C)c2ccc(-c3cc4ccccc4s3)s2)nn1,NBEZVPOXHZTZJK-UHFFFAOYSA-N
rxn:2:146036:126659,Cc1ccc2sc(C(C)NCC3CC3c3ccc4[nH]c(=O)[nH]c4c3)cc2c1,FZEZWEIQMPXCOR-UHFFFAOYSA-N
rxn:2:105023:122855,CC(NCc1ccc(OCC2CCN(C)C2)cc1)c1ccc(-c2cccs2)s1,YZKLTTOGFYVCTG-UHFFFAOYSA-N
rxn:2:73189:171231,CCCc1nonc1NC(C)c1cc(-c2cc(C)c(OCC)cc2C)cs1,LLHSICBRUDALLT-UHFFFAOYSA-N
rxn:2:93504:169400,CCC(NCCCc1cocn1)c1ccc(-c2ccc(C)s2)cc1C,CUEQTGWWAQCEJL-UHFFFAOYSA-N
rxn:2:83688:120181,CC(NCC1CC1c1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccsn2)cc1,IEVKSKXGFAIADX-UHFFFAOYSA-N
rxn:2:94822:144761,CC(CCc1ccc(-c2ccc3c(c2)CC3)cc1)NCCCSc1nncn1C,PSVGUTVOVNPVRE-UHFFFAOYSA-N
rxn:2:70411:68807,Cc1ccsc1-c1ccc(C(C)NCC2CC2c2cnc3cc[nH]c3c2)s1,KZSBNETZMBOQMB-UHFFFAOYSA-N
rxn:2:113894:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NC1CCc2[nH]ncc21,XSVBZCIUASNIIM-UHFFFAOYSA-N
rxn:2:78562:108959,CC(NCc1ccc(-c2cc[nH]c2)cc1)c1ccc(-c2cccs2)cc1,DHKGHHQPSLFMAU-UHFFFAOYSA-N
rxn:2:92055:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCSc3ccccn3)ccc1-2,MVKJJBBEAHBMRE-UHFFFAOYSA-N
rxn:2:110222:171478,CCc1ccc(-c2ccc(C(C)NCCCc3cnc4[nH]c(=O)oc4c3)cc2)cc1,REQMRYZDRSOBNA-UHFFFAOYSA-N
rxn:2:74079:108959,CC(NCC#Cc1cnn(CC2CCC2)c1)c1ccc(-c2cccs2)cc1,BMYAUNAPBNAISH-UHFFFAOYSA-N
rxn:2:68680:171669,Cc1cc(-c2ccc(C(C)NCCCOC3CCN(C)CC3)cc2)c(C)s1,IVCISQKOMXWPFZ-UHFFFAOYSA-N
rxn:2:92565:108959,CC(NCCc1ccns1)c1ccc(-c2cccs2)cc1,FKFNHXRSEJYZSJ-UHFFFAOYSA-N
rxn:2:141055:107408,CC(NC1CCC2CN(C)CCC2C1)c1ccc(-c2ccsc2)s1,CWCZPBDFPRMPPG-UHFFFAOYSA-N
rxn:2:70411:90126,CC(NCC1CC1c1cnc2cc[nH]c2c1)c1ccc(-c2ccsc2)cn1,BERMVTSHVPMRRP-UHFFFAOYSA-N
rxn:2:81194:147164,COc1cccc(-c2ccc(C(C)NCCCCc3ccc4[nH]c(=O)[nH]c4c3)s2)c1,BHSAJEVZAZEBAD-UHFFFAOYSA-N
rxn:2:142622:110334,Cc1ccc2cc(C(C)NCCC#Cc3ccc4[nH]c(=O)sc4c3)ccc2c1,DBQLJPVCHUGLRI-UHFFFAOYSA-N
rxn:2:106387:170060,Cc1cc(N2CC[C@H](NC(C)CCc3ccc(-c4csc(C)c4)cc3)C2)ncn1,NZYMLIFMPSPMHL-VXLWULRPSA-N
rxn:2:141847:108959,CC(Nn1cnnn1)c1ccc(-c2cccs2)cc1,IAPPWNCZZOJTEV-UHFFFAOYSA-N
rxn:2:160401:141889,Cc1cccc(C2CCC(NCCC#Cc3cnc4[nH]c(=O)oc4c3)CC2)c1,UCKYBNQAFCETPN-UHFFFAOYSA-N
rxn:2:124677:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3ncn(C)n3)cc2)cs1,HLFSCESISVCLAS-UHFFFAOYSA-N
rxn:2:90963:169412,Cc1csc(-c2ccc(CCC(C)NCC#Cc3ccc(C)nn3)cc2)c1,KLABYPSZBHMLFM-UHFFFAOYSA-N
rxn:2:114168:169412,Cc1csc(-c2ccc(CCC(C)NCCCOc3cc[nH]n3)cc2)c1,ATNIUVXVKZCLCG-UHFFFAOYSA-N
rxn:2:66358:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCCc3ccn[nH]3)c2)cc1C,OZZPNPDSGFZSQM-UHFFFAOYSA-N
rxn:2:67778:114519,Cc1sccc1-c1ccc(C(C)NCCC#Cc2cncnc2)cc1,ZXFXESATEWBHFZ-UHFFFAOYSA-N
rxn:2:97318:170892,CC(NCCc1cocn1)c1ccc(-c2cc3sccc3s2)s1,WKNGPWOVGWQLCB-UHFFFAOYSA-N
rxn:2:114934:128669,Cc1ccc(C2CCC(NCCC#Cc3cnc4nc[nH]c4c3)CC2)cc1,KPPXKNVSXSOLOX-UHFFFAOYSA-N
rxn:2:114204:128669,Cc1ccc(C2CCC(NCC#Cc3cnccn3)CC2)cc1,OJWZPXDQTZCENQ-UHFFFAOYSA-N
rxn:2:76822:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCS(C)(=O)=O,ASOJBDZTKXEORB-UHFFFAOYSA-N
rxn:2:120097:96010,Cc1cnc(N2CC(NC(C)c3ccc(-c4ccsc4)cc3)C2)nc1,DMBTWAXQKOKPPQ-UHFFFAOYSA-N
rxn:2:82049:139886,CC(NC[C@H]1CC[C@H](CN(C)C)CC1)c1ccc(-c2ccco2)cc1,GKBOMKUBNOYTCC-YIQCUVMYSA-N
rxn:2:86811:170060,Cc1cc(-c2ccc(CCC(C)NC3CCC(CC4CCN(C)C4)CC3)cc2)cs1,QJGPOLGLJOEZEV-UHFFFAOYSA-N
rxn:2:68710:123403,CCS(=O)(=O)C1CCCC(NC(C)c2cc3ccc(C)cc3s2)C1,TXJDWQRDHTUVCS-UHFFFAOYSA-N
rxn:2:99720:146828,CSCC(Nc1cnoc1C)c1ccc2cc(C)ccc2c1,ZSCYMVVJKVHCLL-UHFFFAOYSA-N
rxn:2:133307:110334,Cc1ccc2cc(C(C)NCCc3cn[nH]n3)ccc2c1,OQLVDXFNSARDDW-UHFFFAOYSA-N
rxn:2:70411:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC3c3cnc4cc[nH]c4c3)cc2)cs1,ICPSFOMDBZIZOU-UHFFFAOYSA-N
rxn:2:90327:108959,CC(NCCCc1cnc[nH]1)c1ccc(-c2cccs2)cc1,WIVAZCFWYJAJTN-UHFFFAOYSA-N
rxn:2:86297:171734,C[C@]12CCC3c4ccccc4CCC3C1CCC2NCc1cnsn1,FSVUDNANXNHYLP-ALAWOQLPSA-N
rxn:2:72524:169412,COc1cnc2nc(CCNC(C)CCc3ccc(-c4cc(C)cs4)cc3)cn2c1,DHCHHDJOAKMNTA-UHFFFAOYSA-N
rxn:2:162869:108959,CC(NCC#Cc1ccc2c(ccn2C)c1)c1ccc(-c2cccs2)cc1,JOUBQJOTIDWHGF-UHFFFAOYSA-N
rxn:2:108762:108959,CC(NCCOc1cnc2[nH]ccc2c1)c1ccc(-c2cccs2)cc1,RLJXAGWLLYOWKC-UHFFFAOYSA-N
rxn:2:125962:155572,C[C@@H](NC1CCc2cc(-c3nccs3)ccc21)c1ccc(-c2cccs2)cc1,QMTKWDNJSXVZSC-XESZBRCGSA-N
rxn:2:114522:170411,CCSc1ccc(-c2ccc(C(C)NCCC#Cc3cn(C)cn3)c(C)c2)cc1,OWYRCOMCFNTVGT-UHFFFAOYSA-N
rxn:2:73749:120822,Cc1ccc(-c2ccc(C(C)NCCC#Cc3cn[nH]c3)cc2)s1,DTFVWDCSKAKUFG-UHFFFAOYSA-N
rxn:2:89311:78538,Cc1ccsc1-c1ccc(C(C)NCc2cn[nH]c2)cc1,LZUNBQJWDGQHFG-UHFFFAOYSA-N
rxn:2:117521:170892,CC(NCCCCc1ccc2ocnc2c1)c1ccc(-c2cc3sccc3s2)s1,OQBKMGMVKOEJBN-UHFFFAOYSA-N
rxn:1:60111:5337,Cc1ccc(C(CN)OCc2cn(I)nn2)cc1C,IYEJVIANQXHUGV-UHFFFAOYSA-N
rxn:2:86071:139886,CC(NCCC#Cc1cnc2[nH]ccc2c1)c1ccc(-c2ccco2)cc1,UBAAHADAQRSOTK-UHFFFAOYSA-N
rxn:2:99842:86042,CCc1ccc(CCC(C)NCC2CC2c2ccc(N3CCN(C)CC3)cc2)s1,SMRFRRXLTICEEF-UHFFFAOYSA-N
rxn:2:137816:170892,CSc1ncc(C#CCNC(C)c2ccc(-c3cc4sccc4s3)s2)cn1,QWVAOWXONCIFDX-UHFFFAOYSA-N
rxn:2:69619:122855,CC(NC[C@H]1CC[C@H](CN2CCCC2)CC1)c1ccc(-c2cccs2)s1,JEZDTWPNSKXOIM-YIQCUVMYSA-N
rxn:2:137816:173089,CSc1ncc(C#CCNC(C)c2ccc(-c3cc4sccc4s3)cc2C)cn1,KGVQBCKTKPZMBQ-UHFFFAOYSA-N
rxn:2:82490:96010,Cc1cnc(CCCNC(C)c2ccc(-c3ccsc3)cc2)nc1,SQNRHLXMILACHO-UHFFFAOYSA-N
rxn:2:114191:126659,Cc1ccc2sc(C(C)NCCCCc3ccc[nH]3)cc2c1,SLPUUUJDJDCKLV-UHFFFAOYSA-N
rxn:2:145750:170892,CC(NCCC#Cc1ccc2[nH]c(=O)oc(=O)c2c1)c1ccc(-c2cc3sccc3s2)s1,OOLROSKJRNMUTC-UHFFFAOYSA-N
rxn:2:92382:78077,CCC(Nc1cn[nH]c1)c1ccc(-c2cscc2C)s1,GUVSECKYFCEPFC-UHFFFAOYSA-N
rxn:2:69000:70192,Cc1ccc(OCCC(C)NC(C)(c2nnn[nH]2)C2CCCC2)c(C)c1,CELLRKHUSOWUJM-UHFFFAOYSA-N
rxn:2:136946:116842,CCc1cc(C#CCNC(C)c2ccc(-c3ccc(SC)cc3)s2)ncn1,FDIXKSGRAYJGPM-UHFFFAOYSA-N
rxn:2:104011:85686,CC(NCC#Cc1ccc(N2CCN(C)CC2)cc1)c1csc(-c2cccs2)c1,JXQZWAOLHYUZSL-UHFFFAOYSA-N
rxn:2:96411:108959,CC(N[C@H](C)c1nnco1)c1ccc(-c2cccs2)cc1,XDCWIUNWDFVZQI-PIJUOVFKSA-N
rxn:2:108320:172265,Cc1ncc(C#CCCNC(C)c2ccc(-c3ccc(-c4cccs4)s3)s2)cn1,HOIHGURYXGCOGX-UHFFFAOYSA-N
rxn:2:74567:96010,CC(NCC1CC1c1ccc2[nH]ccc2c1)c1ccc(-c2ccsc2)cc1,QAQLJANKIHDIAJ-UHFFFAOYSA-N
rxn:2:110832:154787,CCc1ccc(C#CCNC(C)c2ccc3sc(=S)[nH]c3c2)cc1,ZGOLCGRTGYMWQC-UHFFFAOYSA-N
rxn:2:163596:118444,CCS(=O)(=O)OC[C@@H]1CCC(NC(C)c2ccc3c(c2)Cc2ccccc2-3)C1,JGPMQWMYTKRBLL-BQIYRTECSA-N
rxn:2:88500:170218,C[C@]12CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]1CCC2NCc1cnns1,RCEVJXLQUFPHBC-BKUVARHGSA-N
rxn:2:156072:66791,Cc1csc(-c2csc(C(C)NCC#Cc3ccc4[nH]c(=O)oc4c3)c2)c1,XLPOGAQOVIYKCK-UHFFFAOYSA-N
rxn:2:140876:170060,CCn1cc(C2CC2CNC(C)CCc2ccc(-c3csc(C)c3)cc2)cn1,HNQNTRBPWOEYLI-UHFFFAOYSA-N
rxn:2:84871:96010,CC(NCCC1CC1c1cnccn1)c1ccc(-c2ccsc2)cc1,AQNPNMOCNNTQDX-UHFFFAOYSA-N
rxn:2:76594:120181,COCC#Cc1ccc(CNC(C)c2ccc(-c3ccsn3)cc2)cc1,SUQMAWWUUQPYRR-UHFFFAOYSA-N
rxn:2:162493:143660,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1cc2c(ccc3ccccc32)o1,YESKBZKDBUOYCD-UHFFFAOYSA-N
rxn:2:72400:114519,Cc1cncc(C#CCNC(C)c2ccc(-c3ccsc3C)cc2)n1,WUTCCPLGSHTWBS-UHFFFAOYSA-N
rxn:2:73576:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3c[nH][nH]c3=O)cc2)c1,IXOXELGIIVSDDZ-UHFFFAOYSA-N
rxn:2:89311:173095,CC(NCc1cn[nH]c1)c1ccc2sc3ccccc3c2c1,XFDFJJBOPAYENZ-UHFFFAOYSA-N
rxn:2:70146:91624,CCc1c(C)noc1NC(CCN(C)C)c1ccccc1,BSMOFYNUAFFUOI-UHFFFAOYSA-N
rxn:2:167592:91563,Cc1cc(-c2ccco2)ccc1C(C)NCC#Cc1cnc2[nH]c(=O)oc2c1,YBEMHPIQDWXCTD-UHFFFAOYSA-N
rxn:2:105023:120822,Cc1ccc(-c2ccc(C(C)NCc3ccc(OCC4CCN(C)C4)cc3)cc2)s1,UVFDXNDAINUTPV-UHFFFAOYSA-N
rxn:2:106307:96010,CC(NCC#Cc1cnn(C2CCOCC2)c1)c1ccc(-c2ccsc2)cc1,SDLBTVFWJWLCQG-UHFFFAOYSA-N
rxn:2:138675:70192,Cc1ccc(OCCC(C)NCc2cc(C)on2)c(C)c1,OTKUZNQSXAYKKM-UHFFFAOYSA-N
rxn:2:76997:67686,CC[C@@H](NC(CN1CC1)c1cccc(OC)c1)c1ccc[nH]1,RSVBOOSOTSALMV-PYUWXLGESA-N
rxn:2:92623:139886,CSC1CCCC(NC(C)c2ccc(-c3ccco3)cc2)C1,BZARHTMIZLLNLV-UHFFFAOYSA-N
rxn:2:97063:169739,CCOc1ccc(-c2ccc(C(C)NCCSc3cnn[nH]3)c(C)c2)cc1C,VUWVGHVROYFLFT-UHFFFAOYSA-N
rxn:2:105701:70192,Cc1ccc(OCCC(C)NCc2ccc[nH]2)c(C)c1,YYSMLCCHRYWIEK-UHFFFAOYSA-N
rxn:2:132131:172618,CC(NCCCc1ncno1)c1cc(-c2cc3sccc3s2)cs1,YSQVTFDGOZPQNI-UHFFFAOYSA-N
rxn:2:101366:170060,Cc1cc(-c2ccc(CCC(C)NCCCOc3ncccc3C)cc2)cs1,CMNGEVYLJYVPHQ-UHFFFAOYSA-N
rxn:2:155314:85686,CC(NCCCCc1ccc2[nH]c(=O)sc2c1)c1csc(-c2cccs2)c1,GHPNFLJXFBREGJ-UHFFFAOYSA-N
rxn:2:123238:170060,Cc1cc(-c2ccc(CCC(C)NCc3ccc(OC4COC4)cc3)cc2)cs1,LIONOFXELBPVER-UHFFFAOYSA-N
rxn:2:137446:111147,CC(NCC#Cc1ccc(S(=O)(=O)F)cc1)c1ccc(-c2nccs2)cc1,ZAGIGNOVKSQAAE-UHFFFAOYSA-N
rxn:2:68525:172076,COCc1cc(C#CCNC2CCC(c3nc(-c4cccs4)cs3)CC2)cs1,NNLAZWXCGZSHLT-UHFFFAOYSA-N
rxn:2:80704:98873,CC(C)CC[C@@H](NC1CC1)c1ccc2ccccc2c1,VZBLFTLAYNSWIW-LJQANCHMSA-N
rxn:2:75457:170060,COc1ccc2c(c1)OCC(NC(C)CCc1ccc(-c3csc(C)c3)cc1)C2,BWBIQVRJMQJMEC-UHFFFAOYSA-N
rxn:2:76500:89572,CN(C)CCC(Nc1csc2c1CSC2)c1ccco1,DESMGJBKMFBQEF-UHFFFAOYSA-N
rxn:2:97900:141195,CCC(Nc1n[nH]c2[nH]ncc12)c1ccc(-c2sccc2C)cc1,ZAIOXKMTUAQYQK-UHFFFAOYSA-N
rxn:2:111746:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3cnccn3)cc2)cs1,OEVNQMXMLYNRAF-UHFFFAOYSA-N
rxn:2:132373:171392,C(#Cc1c[nH]cn1)CNC1CCC(c2csc3ccccc23)CC1,HJPZMDNJULBXEO-UHFFFAOYSA-N
rxn:2:145188:100235,Cc1ccc2oc(C(C)NCCC#Cc3ccc4c(=O)[nH]cnc4c3)cc2c1,FXEHGBOEDPILLW-UHFFFAOYSA-N
rxn:2:132002:105101,CC(NC1CC(C2CCN(C)CC2)C1)c1ccc(-c2ccc[nH]2)cc1,DECFOGJKZCPBOP-UHFFFAOYSA-N
rxn:2:91798:167458,CN(C)CCOc1ccc(C#CCNC2COc3cc(-c4ccsc4)ccc32)cc1,DQJAZKHIFHTDIW-UHFFFAOYSA-N
rxn:2:72890:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCCc3c[nH]cn3)ccc1-2,BCCQXFSQSNAMSD-UHFFFAOYSA-N
rxn:2:141397:169575,CNC(C)c1csc2ccc(-c3cccc(SC)c3)cc12,JEDDSEDORXRGMC-UHFFFAOYSA-N
rxn:2:122495:172375,Cc1ncc(NC(C)c2ccc(-c3cc4ccccc4o3)c3c2OCO3)cn1,GLRGJHNXLVRLGE-UHFFFAOYSA-N
rxn:2:68525:109382,COCc1cc(C#CCNC2CCC(c3nccs3)CC2)cs1,GTOWQPGMGGNVER-UHFFFAOYSA-N
rxn:2:117731:115113,Cc1cccc2sc(C(C)NCCc3ncn[nH]3)cc12,FNIULALKFJAWQS-UHFFFAOYSA-N
rxn:2:117731:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCCc1ncn[nH]1,RXLRYOPELIIBFP-UHFFFAOYSA-N
rxn:2:69022:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCCc3ncc[nH]3)c2)cc1C,KXNRLMSJSYYQSP-UHFFFAOYSA-N
rxn:2:131603:108959,CC(NCC1CC1c1cc[nH]c1)c1ccc(-c2cccs2)cc1,VUUZPNIIKBSAAO-UHFFFAOYSA-N
rxn:2:77560:148477,CC(Nc1cnoc1)c1ccc2c(c1)CCc1ccccc1-2,QBTCRZGPISQQHA-UHFFFAOYSA-N
rxn:2:141397:169545,CNC1CCc2cc(-c3cc4cc(C)ccc4s3)ccc21,POWGCKZZWFWLGX-UHFFFAOYSA-N
rxn:2:110352:170235,CCNC(C)c1cc2cc(-c3cccc(C)c3)ccc2o1,CJRPFGDVPFMBGK-UHFFFAOYSA-N
rxn:2:97410:123403,CCCCO[C@H]1CC[C@H](NC(C)c2cc3ccc(C)cc3s2)CC1,WIKGQCGMCXRZPF-YGXOWLSWSA-N
rxn:2:104011:70812,CN1CCN(c2ccc(C#CCNC3CCC(c4ccccc4)CC3)cc2)CC1,PWRQPYHMDBLODE-UHFFFAOYSA-N
rxn:2:108186:169412,Cc1csc(-c2ccc(CCC(C)NCCCCc3cnc4nc[nH]c4c3)cc2)c1,PWPGTLUNJKUHOL-UHFFFAOYSA-N
rxn:2:106758:147815,CC(N[C@@H](C)c1ccc(-c2cccs2)cc1)c1ccc2[nH]c(=O)[nH]c2c1,LQEAIFJCEOQNEB-LSLKUGRBSA-N
rxn:2:132396:129654,Cc1nc(-c2ccsc2)ccc1C(C)NCCC1CC1c1ncccn1,LVDFPVCWNJNEID-UHFFFAOYSA-N
rxn:2:72200:107408,CC(NCCCc1nnc[nH]1)c1ccc(-c2ccsc2)s1,OGVZFCKDVUQYKZ-UHFFFAOYSA-N
rxn:2:164589:109025,Cc1csc(-c2cc(C(C)NCC#Cc3cnc4c(ccn4C)n3)cs2)c1,DSRLBNDRHTXMPO-UHFFFAOYSA-N
rxn:2:138457:127220,Cc1ccc(-c2cc(C(C)NCC#Cc3ccc(-c4nn[nH]n4)cc3)cs2)s1,YWNXJCSUJYWDKI-UHFFFAOYSA-N
rxn:2:120936:141195,CCC(NCCn1nccn1)c1ccc(-c2sccc2C)cc1,JUANQRPODYIZLX-UHFFFAOYSA-N
rxn:2:99055:109025,Cc1csc(-c2cc(C(C)NCCc3cc(-c4cccnc4)on3)cs2)c1,YMURGRZUKCWDJR-UHFFFAOYSA-N
rxn:2:104011:101283,CN1CCN(c2ccc(C#CCNC3CC(c4cccs4)C3)cc2)CC1,ALMVSUUOKXFKSK-UHFFFAOYSA-N
rxn:2:70378:68807,Cc1ccsc1-c1ccc(C(C)NCCCCc2cc[nH]c2)s1,NWGVXMCSTIRJTE-UHFFFAOYSA-N
rxn:2:113426:96514,Cc1nc(-c2cc(C(C)NCc3ccc(-c4ccc(=O)[nH]n4)cc3)cs2)cs1,VAPYDGUCYSIPPF-UHFFFAOYSA-N
rxn:2:88943:141988,Cc1cc(-c2ccc(C(C)NC3CCC(OCCS(C)(=O)=O)CC3)s2)cs1,CWETYRMDLQNWIO-UHFFFAOYSA-N
rxn:2:93374:112875,Cc1ccc(CCCCNC2CC(C#Cc3cccs3)C2)s1,ZXDYPHNHILHVKL-UHFFFAOYSA-N
rxn:2:85757:91582,Cc1ccc(C2CC(NCCC#Cc3ccnc(C)c3)C2)cc1,QYPOLZDAWNCFJB-UHFFFAOYSA-N
rxn:2:97941:78435,CCC(Nc1ccc2c(C)csc2c1)c1cncnc1,NHCKSIIEIAORCW-UHFFFAOYSA-N
rxn:2:167169:104044,Cc1cnn(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)cc2)c1,XQLYFHJJAITTLB-UHFFFAOYSA-N
rxn:2:125198:171231,CCOc1cc(C)c(-c2csc(C(C)NCCn3ncnn3)c2)cc1C,NHNGIJCTUVEFEE-UHFFFAOYSA-N
rxn:2:118254:120822,Cc1ccc(-c2ccc(C(C)NCC3CC3c3ccncn3)cc2)s1,YHUYAPGFXAXQKU-UHFFFAOYSA-N
rxn:2:107950:107408,CC(NCCOc1cc(N2CCN(C)CC2)ncn1)c1ccc(-c2ccsc2)s1,PEMJIUMDNHRRCS-UHFFFAOYSA-N
rxn:2:102522:170060,COc1ccc(C#CCNC(C)CCc2ccc(-c3csc(C)c3)cc2)nn1,PAOZFEOITLWDTN-UHFFFAOYSA-N
rxn:2:164315:92488,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1cc(-c2ccsc2)cs1,JUVHARIHANANQU-UHFFFAOYSA-N
rxn:2:71469:169412,Cc1csc(-c2ccc(CCC(C)NCCC(C)Sc3nnnn3C)cc2)c1,BPGIWJHLFUYCBI-UHFFFAOYSA-N
rxn:2:128763:107408,CC(NCC1CC1c1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2ccsc2)s1,AKRLOWSLYLOCHA-UHFFFAOYSA-N
rxn:2:83925:96010,CC(NCc1ccc(N2CCC(N(C)C)CC2)nc1)c1ccc(-c2ccsc2)cc1,GOHJQRXQZAJILV-UHFFFAOYSA-N
rxn:2:81194:169300,Cc1ccc(-c2ccc3oc(C(C)NCCCCc4ccc5[nH]c(=O)[nH]c5c4)cc3c2)s1,MBDCJPOOVXBUML-UHFFFAOYSA-N
rxn:2:155314:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCCCc1ccc2[nH]c(=O)sc2c1,OYKDIZLGMSFXCU-UHFFFAOYSA-N
rxn:2:76726:112875,C(#Cc1cnoc1)CNC1CC(C#Cc2cccs2)C1,FBQGNZBTDBXTAB-UHFFFAOYSA-N
rxn:2:141204:81963,CC(CCc1ccc2[nH]ccc2c1)NCCC#Cc1ccc2[nH]ccc2c1,OUVBFMBSULJXAA-UHFFFAOYSA-N
rxn:2:88500:173095,CC(NCc1cnns1)c1ccc2sc3ccccc3c2c1,SAZFFLGWMQCRMP-UHFFFAOYSA-N
rxn:2:139383:141195,CCC(NCCCCc1cn(C)cn1)c1ccc(-c2sccc2C)cc1,PJSWPBHJXYCJFE-UHFFFAOYSA-N
rxn:2:147050:76379,Cc1nc2ccc(C#CCNC(C)c3ccc(-c4cscn4)cc3)cc2o1,SYAUPRMYHLHGIF-UHFFFAOYSA-N
rxn:2:113672:156984,COc1csc(-c2ccc(C(C)NCCC3CC3c3cc[nH]c3)c(C)c2)c1,FVUVBHSLFYJBNI-UHFFFAOYSA-N
rxn:2:106240:96010,Cc1cc(N2CCC(NC(C)c3ccc(-c4ccsc4)cc3)CC2)ncn1,JYVRLQFMVIUWEO-UHFFFAOYSA-N
rxn:2:138255:126659,Cc1ccc2sc(C(C)N[C@H]3CC[C@@H](CCN(C)C)CC3)cc2c1,XEJRQBZIDNGLGW-FGQQEBQWSA-N
rxn:2:117046:91563,CC#CCNC(C)c1ccc(-c2ccco2)cc1C,AVHHAUYAVZXPCM-UHFFFAOYSA-N
rxn:2:114522:171246,Cc1cc(-c2ccc(-c3ccco3)cc2)ccc1C(C)NCCC#Cc1cn(C)cn1,UDHGMKSXEWOGFH-UHFFFAOYSA-N
rxn:2:149922:141988,Cc1cc(-c2ccc(C(C)NCC3CC3c3ccc4c(=O)[nH]cnc4c3)s2)cs1,NRBMPFUNWPHPSV-UHFFFAOYSA-N
rxn:2:113775:68636,Cc1csc2ccc(C(C)NO[C@@H](C)c3nc[nH]n3)cc12,PAYYUIUFKWUXGQ-DTIOYNMSSA-N
rxn:2:78656:173016,CC(NCCCc1nnc(-c2c[nH]cn2)o1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,KXHFXRGDDXUANO-UHFFFAOYSA-N
rxn:2:141397:146731,CNC(C)c1ccc2ccc(C)cc2n1,SARPSWCJBPMPSZ-UHFFFAOYSA-N
rxn:2:137816:124273,CSc1ncc(C#CCNC(C)c2ccc(-c3cnsc3)s2)cn1,DTJUGRHCWCUOPP-UHFFFAOYSA-N
rxn:2:68805:94314,CCCc1[nH]ncc1NC(C)c1csc2c(C)cccc12,DVTIMQJJINDZAK-UHFFFAOYSA-N
rxn:2:69444:112875,CN1CCN(c2ccc(CCNC3CC(C#Cc4cccs4)C3)cc2)CC1,ILOSPBPBHUADLW-UHFFFAOYSA-N
rxn:2:134607:172265,CC(NCCCSc1ncccn1)c1ccc(-c2ccc(-c3cccs3)s2)s1,SKPRDSSOQXBGNI-UHFFFAOYSA-N
rxn:2:79112:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC3c3[nH]cnc3C)cc2)cs1,KCSUSTJXGWROCY-UHFFFAOYSA-N
rxn:2:144636:100669,CCCc1ccc(C2CCC(NCCC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1,LYALBYSQEVHNFI-UHFFFAOYSA-N
rxn:2:145188:142136,Cc1ccc2c(c1)CC(NCCC#Cc1ccc3c(=O)[nH]cnc3c1)CC2,BMWFEMVZJNHIDS-UHFFFAOYSA-N
rxn:2:91097:156943,COc1ccc(-c2ccc(C(C)NCCCc3cncnc3)s2)c(C)c1,BNUWTGHTWZQKNE-UHFFFAOYSA-N
rxn:2:104952:155734,COc1ccc(-c2csc(C(C)NCCCc3cnc(N(C)C)o3)c2)c(C)c1,MYJIRTURFVNTDD-UHFFFAOYSA-N
rxn:2:92284:170892,CC(NCCCCc1cnc2[nH]ncc2c1)c1ccc(-c2cc3sccc3s2)s1,VKXAPEMGWKMQFS-UHFFFAOYSA-N
rxn:2:136672:154103,c1ccc2cc(C(Nn3cccc3)c3cc[nH]c3)ccc2c1,DUBDILDIRIWQSW-UHFFFAOYSA-N
rxn:2:132998:116515,CC(NCc1ccc(-c2ccc(=O)[nH]c2)cc1)c1ccc(-c2cccs2)nc1,UKSGSGFWBZHYLU-UHFFFAOYSA-N
rxn:2:90089:134252,CCc1cscc1NC(CCN(C)C)c1ccc(C)o1,IFNUYSISGKDOCN-UHFFFAOYSA-N
rxn:2:82511:173095,CC(NCCC#Cc1ccc2[nH]cnc2c1)c1ccc2sc3ccccc3c2c1,NPKXFCAERHZUBW-UHFFFAOYSA-N
rxn:2:127751:68807,Cc1ccsc1-c1ccc(C(C)Nc2cccnc2)s1,KCZSPOWWCVQJQA-UHFFFAOYSA-N
rxn:2:115169:170892,CC(NCC#Cc1cnn(C(C)C)c1)c1ccc(-c2cc3sccc3s2)s1,BQRINVBJZVRGKG-UHFFFAOYSA-N
rxn:2:148526:156984,COc1csc(-c2ccc(C(C)NCCC#Cc3ccc4[nH]c(C)nc4c3)c(C)c2)c1,DYYZWSKBTMDJSW-UHFFFAOYSA-N
rxn:2:116296:170060,Cc1nnc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)o1,KRKWPYYLOARXOY-UHFFFAOYSA-N
rxn:2:70596:67686,COc1cccc(C(CN2CC2)NOCc2ccccc2C2CC2)c1,FLSCTXHZGQBIHI-UHFFFAOYSA-N
rxn:2:139105:109025,Cc1csc(-c2cc(C(C)NCCC#Cc3ncc[nH]3)cs2)c1,CQUUKFLHIMDGNS-UHFFFAOYSA-N
rxn:2:70846:170411,CCSc1ccc(-c2ccc(C(C)NCCc3cnc(CC)nc3)c(C)c2)cc1,IDGLDYOLZATTRT-UHFFFAOYSA-N
rxn:2:141397:87790,CNC(C)c1csc2c(OC)cccc12,JTPHCZLFQLWAQP-UHFFFAOYSA-N
rxn:2:66358:129654,Cc1nc(-c2ccsc2)ccc1C(C)NCCCCc1ccn[nH]1,XRZGLJORTZLTNN-UHFFFAOYSA-N
rxn:2:108076:143660,Cc1n[nH]cc1NC(C)c1cc2c(ccc3ccccc32)o1,FAOSKRDKOVAWEA-UHFFFAOYSA-N
rxn:2:99080:85686,CCn1cc(C#CCNC(C)c2csc(-c3cccs3)c2)cn1,MWZHEFARGOYMLB-UHFFFAOYSA-N
rxn:2:137446:159692,O=S(=O)(F)c1ccc(C#CCNC2CCc3cc(-c4cccs4)ccc32)cc1,TXKUJEDIIJFHKY-UHFFFAOYSA-N
rxn:2:91293:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCCOC1COC1,JITYVABQPKFJEV-UHFFFAOYSA-N
rxn:2:116138:108959,CC(NCCC1CC1c1ncc[nH]1)c1ccc(-c2cccs2)cc1,INKZYDSOWORRDH-UHFFFAOYSA-N
rxn:2:100892:126659,COc1ncc(C#CCCNC(C)c2cc3cc(C)ccc3s2)c(OC)n1,DCRGSYIBICCWOT-UHFFFAOYSA-N
rxn:2:125169:170892,COc1cncc(CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)c1,VVMSPMQFCXWERG-UHFFFAOYSA-N
rxn:2:138933:139886,CC(NCCCOc1cn[nH]c1)c1ccc(-c2ccco2)cc1,JWZSZHPLTJHAKD-UHFFFAOYSA-N
rxn:2:114934:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCC#Cc3cnc4nc[nH]c4c3)ccc1-2,ALEXELXFGHSNFV-UHFFFAOYSA-N
rxn:2:101439:66791,COc1cnc(C#CCNC(C)c2cc(-c3cc(C)cs3)cs2)nc1,MOILMKKTSSMVLR-UHFFFAOYSA-N
rxn:2:106804:78538,COCCOc1ccc(C#CCNC(C)c2ccc(-c3sccc3C)cc2)cc1,RHKGXYIOONVWKN-UHFFFAOYSA-N
rxn:2:156072:146533,CC(NCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2ccc3cnoc3c2)s1,YHESSTJKOSHQNU-UHFFFAOYSA-N
rxn:2:138643:107408,CC(NC1CC(c2nc(-c3cc[nH]c3)c[nH]2)C1)c1ccc(-c2ccsc2)s1,DTVOQUFAPRHSMH-UHFFFAOYSA-N
rxn:2:164315:91582,Cc1ccc(C2CC(NCCC#Cc3ccc4[nH]c(=O)[nH]c(=O)c4c3)C2)cc1,DWXPIFTWKMFPSV-UHFFFAOYSA-N
rxn:2:102522:172265,COc1ccc(C#CCNC(C)c2ccc(-c3ccc(-c4cccs4)s3)s2)nn1,SPLQRUZDQCFFOF-UHFFFAOYSA-N
rxn:2:80519:173095,CC(NCCCc1c[nH]c(=S)[nH]1)c1ccc2sc3ccccc3c2c1,GTNZFEAJEFAAGW-UHFFFAOYSA-N
rxn:2:119653:108959,CC(NC(C)c1ccc2cn[nH]c2c1)c1ccc(-c2cccs2)cc1,IHZDWSXLGHYPLS-UHFFFAOYSA-N
rxn:2:120365:145184,C(#Cc1ccoc1)CCNC1CCC(c2c[nH]c3ccccc23)CC1,MEEFCHNGZOPYGK-UHFFFAOYSA-N
rxn:2:91779:68807,Cc1ccsc1-c1ccc(C(C)NCCCc2ccc3[nH]c(=O)oc3c2)s1,UFGCMLYOYBGPNV-UHFFFAOYSA-N
rxn:2:78571:111357,CCC(Nc1cc[nH]c(=S)c1)c1ccc2c(c1)CCCC2,JVLRPMGKFILDTL-UHFFFAOYSA-N
rxn:2:166478:107408,CC(NC1CCN(c2cc3n[nH]c(=O)n3cn2)CC1)c1ccc(-c2ccsc2)s1,BPMUVPIPVZLMTN-UHFFFAOYSA-N
rxn:2:124198:145184,C(#Cc1ccsc1)CCNC1CCC(c2c[nH]c3ccccc23)CC1,QVHIRVJDNCAVSG-UHFFFAOYSA-N
rxn:2:89590:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NC1CN(c2ncccn2)C1,ZBXNSXQLHGBLIC-UHFFFAOYSA-N
rxn:2:167169:114890,Cc1ccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)nc2)cc1,DDBJQFMPUKQXBQ-UHFFFAOYSA-N
rxn:2:91859:138122,CC(NC1CCc2sccc2C1)c1cnc2sccc2c1,ONIPNXVUMHRJSR-UHFFFAOYSA-N
rxn:2:139123:68807,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ccc3ocnc3c2)s1,OPWBKDQTWLIQSS-UHFFFAOYSA-N
rxn:2:135415:170858,Cc1csc(-c2ccc(C(C)NCCCCc3c[nH]c(C)n3)cc2C)c1,HGSRNWIBPSYSSE-UHFFFAOYSA-N
rxn:2:126873:112875,C=C=CCCNC1CC(C#Cc2cccs2)C1,BWKAXSDWNKSGKZ-UHFFFAOYSA-N
rxn:2:70533:112875,C(#CC1CC(NCC2CC2c2ccc3ncsc3c2)C1)c1cccs1,XPEQRHNSIWROFW-UHFFFAOYSA-N
rxn:2:70492:96010,CSCC1CCC(NC(C)c2ccc(-c3ccsc3)cc2)CC1,PUGCLGHWSZRIFN-UHFFFAOYSA-N
rxn:2:167169:101933,CC(CCc1ccc2c(c1)OCCO2)NCC#Cc1ccc2[nH]c(=O)sc2c1,ROIQDIMRDNOIPJ-UHFFFAOYSA-N
rxn:2:114934:141988,Cc1cc(-c2ccc(C(C)NCCC#Cc3cnc4nc[nH]c4c3)s2)cs1,IDZYDADVIPKDRQ-UHFFFAOYSA-N
rxn:2:156072:104044,Cc1cnn(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)oc4c3)cc2)c1,JXCHLNQROBFDKM-UHFFFAOYSA-N
rxn:2:138080:96010,CC(N[C@H]1CC[C@H](COc2cn[nH]c2)CC1)c1ccc(-c2ccsc2)cc1,SFKFMIPDKMHFPP-QMQUUXTGSA-N
rxn:2:135072:172032,Cc1ccc(-c2ccc(C(C)NCCCOc3ccon3)cc2)c(C)c1,LOWMVQJGAYOUJA-UHFFFAOYSA-N
rxn:2:136996:107408,CC(NOCc1nc[nH]n1)c1ccc(-c2ccsc2)s1,GOTKEUDLJDHQMW-UHFFFAOYSA-N
rxn:2:125447:170060,Cc1cc(-c2ccc(CCC(C)NCCC3CC3c3nc[nH]n3)cc2)cs1,PDRLLHUPSAIZGJ-UHFFFAOYSA-N
rxn:2:91597:169748,Cc1cc2cc[nH]c2cc1-c1ccc(C(C)NCCCc2ncco2)s1,HBHPXQIUQOJVRR-UHFFFAOYSA-N
rxn:2:84749:141988,Cc1cc(-c2ccc(C(C)NCC3CC3c3ccc4[nH]cnc4c3)s2)cs1,CXQBQBZIDVXKNJ-UHFFFAOYSA-N
rxn:2:165559:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ccc3nc[nH]c(=O)c3c2)cc1,NZPWKRVMTWEKTM-UHFFFAOYSA-N
rxn:2:69933:108959,CC(NCCCC1CCCN(C)CC1)c1ccc(-c2cccs2)cc1,RYBHJKDGFPVCJV-UHFFFAOYSA-N
rxn:2:124788:129880,Cc1cnc(CCCCNC(C)c2ccc(-c3cccs3)nc2C)s1,VSUMKAVHVXIKCX-UHFFFAOYSA-N
rxn:2:73576:70192,Cc1ccc(OCCC(C)NCCCc2c[nH][nH]c2=O)c(C)c1,IALBOHYHBNDDGY-UHFFFAOYSA-N
rxn:2:135754:96010,COCCn1cc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)cn1,RXWKYUGPEMNLAE-UHFFFAOYSA-N
rxn:2:122705:170892,CC(NCCCc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2cc3sccc3s2)s1,GWBGAOKYUILXHZ-UHFFFAOYSA-N
rxn:2:105080:173095,CC(NCCc1cc[nH]c1)c1ccc2sc3ccccc3c2c1,WQIHXNDJFPVFCV-UHFFFAOYSA-N
rxn:2:127463:170892,Cc1ccnc(C#CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)n1,PWCIMXGLDFCVBD-UHFFFAOYSA-N
rxn:2:70238:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCC#Cc1ccncc1,OSQKDJGASPXCEL-UHFFFAOYSA-N
rxn:2:132396:123403,Cc1ccc2cc(C(C)NCCC3CC3c3ncccn3)sc2c1,XJPFUEDAPDNXHO-UHFFFAOYSA-N
rxn:2:138592:67848,CC(NC1CCN(CCCN2CCCC2)CC1)c1ccc(-c2ccsc2)cc1,IHKNDLJQYQZRAK-UHFFFAOYSA-N
rxn:2:75281:91624,CN(C)CCC(Nc1cscc1C1CC1)c1ccccc1,IOFWETKWRNQUJD-UHFFFAOYSA-N
rxn:2:69457:173095,CC(NCCc1cc(=O)[nH][nH]1)c1ccc2sc3ccccc3c2c1,HHAUFDDWTSPSEM-UHFFFAOYSA-N
rxn:2:70238:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCC#Cc1ccncc1,KUHKJDAKKTXWCL-UHFFFAOYSA-N
rxn:2:104981:169412,CCOc1c[nH]nc1CCNC(C)CCc1ccc(-c2cc(C)cs2)cc1,DMQHDZUAWQGGEZ-UHFFFAOYSA-N
rxn:2:77160:170060,Cc1cc(-c2ccc(CCC(C)NCC(C)Sc3nnnn3C)cc2)cs1,RTEHCAPQMYPRGB-UHFFFAOYSA-N
rxn:2:121226:68807,Cc1ccsc1-c1ccc(C(C)NC[C@H]2CC[C@H](N3CCOCC3)CC2)s1,NOGHPFGZTBGQMK-YIQCUVMYSA-N
rxn:2:76360:156943,COc1ccc(-c2ccc(C(C)NCCCc3n[nH]nc3C)s2)c(C)c1,QNNSMORCKHSWEO-UHFFFAOYSA-N
rxn:2:111674:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NC1CN(c2cccnc2)C1,NKVYXWRYHXLFPW-UHFFFAOYSA-N
rxn:2:141555:94314,Cc1cccc2c(C(C)NC3CCC(CC4CCCN(C)C4)CC3)csc12,CIOORXKCAVRCEO-UHFFFAOYSA-N
rxn:2:92749:115754,CSCC(Nc1nnn[nH]1)c1ccc2c(c1)CCCS2,UXRAZRWWRWNVOY-UHFFFAOYSA-N
rxn:2:67009:141988,COc1ccnc(C#CCNC(C)c2ccc(-c3csc(C)c3)s2)n1,VMFQYFBQPZTQTM-UHFFFAOYSA-N
rxn:2:80519:127220,Cc1ccc(-c2cc(C(C)NCCCc3c[nH]c(=S)[nH]3)cs2)s1,VOJGAIFWFVFJTL-UHFFFAOYSA-N
rxn:2:167169:164642,Cc1nsc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)cc2C)n1,SAHDCVBJXMXFBL-UHFFFAOYSA-N
rxn:2:73951:170374,CCOc1cc(C)c(-c2ccc(C(CC)Nc3cn[nH]c(=O)c3)cc2)cc1C,HFCXWMFXVDPCBY-UHFFFAOYSA-N
rxn:2:104011:85300,CN1CCN(c2ccc(C#CCNC3CC4(Cc5ccccc5C4)C3)cc2)CC1,XGMKYBUWVJQILP-UHFFFAOYSA-N
rxn:2:86811:76379,CC(NC1CCC(CC2CCN(C)C2)CC1)c1ccc(-c2cscn2)cc1,UWKAZLUNOTVOLT-UHFFFAOYSA-N
rxn:2:139105:153414,Cc1cc(-c2ccccc2)ccc1C(C)NCCC#Cc1ncc[nH]1,QJNXCCRWRFTELG-UHFFFAOYSA-N
rxn:2:138255:173095,CC(N[C@H]1CC[C@@H](CCN(C)C)CC1)c1ccc2sc3ccccc3c2c1,FGPRLWWFIJJHCC-JEGCRZOOSA-N
rxn:2:97639:170411,CCSc1ccc(-c2ccc(C(C)NCCCCc3cnoc3)c(C)c2)cc1,SDQOPTAMWZYCPL-UHFFFAOYSA-N
rxn:1:65513:28956,NCCCCc1ccc(-c2cn(-c3ccc(I)cc3)nn2)cc1,FOFVYMNJXBVDRB-UHFFFAOYSA-N
rxn:2:97543:170858,Cc1csc(-c2ccc(C(C)NCCc3nnn[nH]3)cc2C)c1,LIHGPYBNROKZIB-UHFFFAOYSA-N
rxn:2:127204:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCOS(C)(=O)=O)ccc1-2,UEFRBDXGTSVCMS-UHFFFAOYSA-N
rxn:2:111985:170026,CCCC(NCCCc1cc[nH]n1)c1ccc(-c2cc3cc(C)ccc3s2)cc1,HHEXTSWECALEIC-UHFFFAOYSA-N
rxn:2:122955:108959,CC(NCCSc1cccnc1)c1ccc(-c2cccs2)cc1,AUYGZTHNZPNWFF-UHFFFAOYSA-N
rxn:2:91747:108959,CSc1ncc(CCNC(C)c2ccc(-c3cccs3)cc2)cn1,IAJDSZZLXQTOIJ-UHFFFAOYSA-N
rxn:2:78571:156549,CCC(Nc1cc[nH]c(=S)c1)c1ccc2cc(C)ccc2c1,FUSRGYDIZUXBBB-UHFFFAOYSA-N
rxn:2:110555:88330,Cc1cccc(C(CCN(C)C)Nc2cccc3c2COC3)c1,CHIPBMPPOCINMV-UHFFFAOYSA-N
rxn:2:72890:127220,Cc1ccc(-c2cc(C(C)NCCCCc3c[nH]cn3)cs2)s1,PWAIOCCBGQDOCH-UHFFFAOYSA-N
rxn:2:75290:169935,CC(=O)c1ccc(-c2ccc(SC(C)NCCC(C)(C)Cc3cc[nH]c3)cc2)s1,JSECXEIGIYEHHG-UHFFFAOYSA-N
rxn:2:112350:170060,Cc1cc(-c2ccc(CCC(C)NCCC#Cc3cnn(C)c3)cc2)cs1,JUNSVOJPUDVLGL-UHFFFAOYSA-N
rxn:2:141819:172893,Cc1cc(-c2ccc3sccc3c2)ccc1C(C)NCCc1n[nH]c(=O)o1,UFBSUQQKOZCECY-UHFFFAOYSA-N
rxn:2:127458:142183,CCC[C@@H](NCC=N)c1ccc(OC)cc1C,LURHCXLYKPAVAU-CQSZACIVSA-N
rxn:2:142622:147513,CC(NCCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2c[nH]c3ccncc23)s1,UEJQPJYECSCOAX-UHFFFAOYSA-N
rxn:2:92382:172959,CC(Nc1cn[nH]c1)c1cc2ccccc2c2ccccc12,IPTNTQNMGYLGNF-UHFFFAOYSA-N
rxn:2:97485:67686,COc1cccc(C(CN2CC2)Nc2cccs2)c1,KXZXNJHGFFNTPW-UHFFFAOYSA-N
rxn:2:160401:139886,CC(NCCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2ccco2)cc1,GUJUTDWKFGBZSL-UHFFFAOYSA-N
rxn:2:156072:84225,CCc1ccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)oc4c3)s2)s1,ZCEGBYLYODANAM-UHFFFAOYSA-N
rxn:2:162493:92027,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1csc(-c2ccco2)c1,JSDCNHKBNZRXCE-UHFFFAOYSA-N
rxn:2:93577:170060,COCO[C@H]1CC[C@H](NC(C)CCc2ccc(-c3csc(C)c3)cc2)CC1,ZOFMJCOGMOENNX-LIUUCTJRSA-N
rxn:2:129122:170892,COc1cc(C#CCCNC(C)c2ccc(-c3cc4sccc4s3)s2)ccn1,DYUPPELGCIHDAH-UHFFFAOYSA-N
rxn:2:121328:170892,CC(CNC(C)c1ccc(-c2cc3sccc3s2)s1)CSc1cnn(C)c1,BXBARNLJLPKNRA-UHFFFAOYSA-N
rxn:2:131711:169851,CSc1ccc(-c2ccc(C(C)NCCCCS(C)(=N)=O)cc2)cc1,UKCXTORAIYHQHC-UHFFFAOYSA-N
rxn:2:76625:114519,Cc1sccc1-c1ccc(C(C)NCCC#Cc2cnc[nH]2)cc1,XODGMXJOWYSZKL-UHFFFAOYSA-N
rxn:2:139412:171231,CCOc1cc(C)c(-c2csc(C(C)NCCOc3ccccn3)c2)cc1C,XEXIPBKQNQJHNX-UHFFFAOYSA-N
rxn:2:66816:110041,CC(NC1CCN(C2CCN(C)CC2)CC1)c1csc(-c2ccsc2)c1,UTNVDWXJHLKOJO-UHFFFAOYSA-N
rxn:2:141397:171553,CNC(CCc1ccc(C)cc1C)c1ccc(C)c(C)c1,WGSNYHHPZBTEOY-UHFFFAOYSA-N
rxn:2:123367:169412,CCC(CNC(C)CCc1ccc(-c2cc(C)cs2)cc1)c1cc(C)ncn1,ABNKEXRJBCPSJF-UHFFFAOYSA-N
rxn:2:96501:170060,Cc1cc(-c2ccc(CCC(C)NC3CCN(c4ccc(=O)n(C)n4)C3)cc2)cs1,APBIKRKZXZYXRB-UHFFFAOYSA-N
rxn:2:131711:170060,Cc1cc(-c2ccc(CCC(C)NCCCCS(C)(=N)=O)cc2)cs1,NTMYNUBLAMPSOM-UHFFFAOYSA-N
rxn:2:145750:102373,Cc1ccc(C2CC(NCCC#Cc3ccc4[nH]c(=O)oc(=O)c4c3)C2)s1,PJWJCCCOBLQURS-UHFFFAOYSA-N
rxn:2:67121:173095,CC(Nc1cncnn1)c1ccc2sc3ccccc3c2c1,PZIKMMCHYKSPPY-UHFFFAOYSA-N
rxn:2:119924:70192,COCCO[C@@H]1CC[C@@H](NC(C)CCOc2ccc(C)cc2C)C1,ZBNLDVARVILXTO-OMKBGSMGSA-N
rxn:2:102551:96010,CC(NC1CCN(c2ccncn2)C1)c1ccc(-c2ccsc2)cc1,FIWBGXWNCYFVFJ-UHFFFAOYSA-N
rxn:2:106940:169412,Cc1csc(-c2ccc(CCC(C)NCCc3ncno3)cc2)c1,QEJLABRLJUECJS-UHFFFAOYSA-N
rxn:2:156072:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NCC#Cc1ccc2[nH]c(=O)oc2c1,UTZBKCATZOJHLO-UHFFFAOYSA-N
rxn:2:92660:172265,CSCc1ncc(CCNC(C)c2ccc(-c3ccc(-c4cccs4)s3)s2)cn1,YDZJRKDCUFULGY-UHFFFAOYSA-N
rxn:2:76360:173248,Cc1cc(C)c(-c2ccc(C(C)NCCCc3n[nH]nc3C)s2)cc1C,WNSMGZKSTZJLID-UHFFFAOYSA-N
rxn:2:73264:169305,COC1CC(CNC(C)c2ccc(-c3cc4ccccc4o3)cc2C)C1,MGBRSCYETHHKSC-UHFFFAOYSA-N
rxn:2:106940:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCc1ncno1,NFLIFNFVNOUMOE-UHFFFAOYSA-N
rxn:2:139602:172618,CC(NCCCc1cnn(-c2cnccn2)c1)c1cc(-c2cc3sccc3s2)cs1,AFFLEUOHZVRNTR-UHFFFAOYSA-N
rxn:2:89902:69876,CC(NC1CC(COc2ncccn2)C1)c1ccc(-c2cccs2)s1,ZFKIICNLSAJRNL-UHFFFAOYSA-N
rxn:2:76500:67686,COc1cccc(C(CN2CC2)Nc2csc3c2CSC3)c1,RXXSRTCQTVLIBT-UHFFFAOYSA-N
rxn:2:108320:122855,Cc1ncc(C#CCCNC(C)c2ccc(-c3cccs3)s2)cn1,RJWXCVWABWAFQE-UHFFFAOYSA-N
rxn:2:139383:107956,Cc1ccc(-c2ccc(C(C)NCCCCc3cn(C)cn3)cc2)cc1,HTIOVMYCBXYLLQ-UHFFFAOYSA-N
rxn:2:70440:85686,COc1ncc(CCCNC(C)c2csc(-c3cccs3)c2)cn1,PKYKEXTWQXMHBL-UHFFFAOYSA-N
rxn:2:150747:166934,COc1cccc2cc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)ccc12,DLQSCBDCFOECJJ-UHFFFAOYSA-N
rxn:2:104740:104330,COCc1cc(C2CC2CNC(C)c2ccc(-c3cc[nH]c3)cc2C)cs1,OVDWMVMHVIMVCQ-UHFFFAOYSA-N
rxn:2:167169:126659,Cc1ccc2sc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)cc2c1,CGAQFKGKJBBCMZ-UHFFFAOYSA-N
rxn:2:76926:120822,COc1cc(N2CCCC(NC(C)c3ccc(-c4ccc(C)s4)cc3)C2)ncn1,FCVIVHVLJXDAEF-UHFFFAOYSA-N
rxn:2:110352:173016,CCNC(C)c1cc(-c2ccc(-c3ccco3)cc2)cs1,QOBBRGMOVCNDLL-UHFFFAOYSA-N
rxn:2:100451:129880,Cc1ccc(C#CCNC(C)c2ccc(-c3cccs3)nc2C)s1,ANSUSHSKECVZOW-UHFFFAOYSA-N
rxn:2:86811:125117,Cc1ccc(-c2ccc(C(C)NC3CCC(CC4CCN(C)C4)CC3)cc2)o1,LUQBCDNDYHMHEG-UHFFFAOYSA-N
rxn:2:73951:140099,CCC(Nc1cn[nH]c(=O)c1)c1ccc(-c2cccs2)s1,ZSGILJOUILBLNX-UHFFFAOYSA-N
rxn:2:83460:120822,CCC(NC(C)c1ccc(-c2ccc(C)s2)cc1)c1nnn[nH]1,WASDNZFQJGXVJE-UHFFFAOYSA-N
rxn:2:113171:165512,Cc1ccsc1-c1ccc2c(c1)CCC2NCCCc1cnn[nH]1,KYUQXLHFKYDARX-UHFFFAOYSA-N
rxn:2:129699:96010,CC(NC1CCN(c2cc(C3CCCC3)ncn2)C1)c1ccc(-c2ccsc2)cc1,XTWMCLXXULARKD-UHFFFAOYSA-N
rxn:2:111468:171392,C(#Cc1cnc2cn[nH]c2c1)CCNC1CCC(c2csc3ccccc23)CC1,OHRNKPFNKLSECQ-UHFFFAOYSA-N
rxn:2:129280:169412,CCOc1noc(CNC(C)CCc2ccc(-c3cc(C)cs3)cc2)n1,FIGZGPNCWLRRCO-UHFFFAOYSA-N
rxn:2:113889:78104,CSCC(N[C@@H]1CCC[C@H](C2CC2)C1)c1ccc(C)cc1C,KOQWTAVSDPCQPS-IVAAQHKWSA-N
rxn:2:76009:171392,COc1cc(C#CCNC2CCC(c3csc4ccccc34)CC2)ncn1,DPKCHYFQZSDFDX-UHFFFAOYSA-N
rxn:2:116191:86492,CCn1c(C2CC(NCCC#Cc3csc(C)c3)C2)n[nH]c1=S,GLRZNXXVWSWZJO-UHFFFAOYSA-N
rxn:2:91909:95801,Cc1cscc1C#CCNC(C)c1ccc(-c2cc[nH]c2)c(C)c1,RREUMFKEEHAJAM-UHFFFAOYSA-N
rxn:2:136996:127220,Cc1ccc(-c2cc(C(C)NOCc3nc[nH]n3)cs2)s1,IMQMSKJQBWWIRZ-UHFFFAOYSA-N
rxn:2:140720:122855,CC(NCC#Cc1csc(Cn2cccn2)c1)c1ccc(-c2cccs2)s1,GIKATVCROAZRFV-UHFFFAOYSA-N
rxn:2:128825:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cc[nH]c3)cc2)cs1,HRMCOLKGNJPFFN-UHFFFAOYSA-N
rxn:2:140614:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cc4n(n3)CCC4)cc2)cs1,FPSUPNLYDCXAJG-UHFFFAOYSA-N
rxn:2:138381:78538,Cc1ccsc1-c1ccc(C(C)NCCOc2cc(N3CCC3)ncn2)cc1,HIEXXMCQNRDKNZ-UHFFFAOYSA-N
rxn:2:99859:154103,Cn1ccc(CCNC(c2cc[nH]c2)c2ccc3ccccc3c2)c1,PWGOPYORNFPOTJ-UHFFFAOYSA-N
rxn:2:114505:170060,CCn1ccnc1CCCNC(C)CCc1ccc(-c2csc(C)c2)cc1,INLMTZPYLHFSAD-UHFFFAOYSA-N
rxn:2:109262:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCc1c[nH]nc1C,HAHJPWNUFRFJIY-UHFFFAOYSA-N
rxn:2:132131:170940,COc1ccc2oc(-c3ccc(C(C)NCCCc4ncno4)s3)cc2c1,VDBPMWUTXAHYAC-UHFFFAOYSA-N
rxn:2:137192:108959,CC(NCCc1cn(Cc2cscn2)nn1)c1ccc(-c2cccs2)cc1,UJDMAMQLHYHQBW-UHFFFAOYSA-N
rxn:2:134195:108959,Cc1nsc(N2CCC(NC(C)c3ccc(-c4cccs4)cc3)C2)n1,GNGCQGHCSPYXCX-UHFFFAOYSA-N
rxn:2:110768:85686,CC(NCC#Cc1cnc2[nH]ncc2c1)c1csc(-c2cccs2)c1,WPEGSFITPJSKPQ-UHFFFAOYSA-N
rxn:2:88009:142183,CCC[C@H](NCC=N)c1ccc(OC)cc1C,LURHCXLYKPAVAU-AWEZNQCLSA-N
rxn:2:154793:142183,Cc1ccc2oc(C(NCC=N)c3cccs3)cc2c1,AKHGGSHMZBICCP-UHFFFAOYSA-N
rxn:2:167169:116441,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-n2cccc2)cc1,VVLNBAYFIULYDD-UHFFFAOYSA-N
rxn:2:141397:68909,CNC1CCC(c2ccc3c(c2)OCO3)CC1,MVIVWFYZNRJVNE-UHFFFAOYSA-N
rxn:2:76625:161103,CC(NCCC#Cc1cnc[nH]1)c1ccc2c(c1)Cc1ccccc1-2,BSBQTJHJQFXQLO-UHFFFAOYSA-N
rxn:2:86811:126659,Cc1ccc2sc(C(C)NC3CCC(CC4CCN(C)C4)CC3)cc2c1,QNCIEBRLJFLESE-UHFFFAOYSA-N
rxn:2:73576:172076,O=c1[nH][nH]cc1CCCNC1CCC(c2nc(-c3cccs3)cs2)CC1,XOUPLKKRPAKHOG-UHFFFAOYSA-N
rxn:2:92382:115754,CSCC(Nc1cn[nH]c1)c1ccc2c(c1)CCCS2,SKBHJZMKJHZYRE-UHFFFAOYSA-N
rxn:2:167592:69508,CCC(NCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2ccsc2)cc1,VTQUUPKVVALRJK-UHFFFAOYSA-N
rxn:2:86811:169412,Cc1csc(-c2ccc(CCC(C)NC3CCC(CC4CCN(C)C4)CC3)cc2)c1,OEKNCRNKCJIRDU-UHFFFAOYSA-N
rxn:2:97946:173095,CC(NCCC#Cc1ccc(S(C)(=O)=O)cc1)c1ccc2sc3ccccc3c2c1,SZRLLVDTYAJNGT-UHFFFAOYSA-N
rxn:2:119168:113807,CC(NC1CCC(c2cccnc2)CC1)c1ccc(-c2ccsc2)s1,LIAFWODXRDDSLH-UHFFFAOYSA-N
rxn:2:69237:156984,COc1csc(-c2ccc(C(C)NCC#Cc3csc(CN(C)C)c3)c(C)c2)c1,DIDKTWFLQCGYBJ-UHFFFAOYSA-N
rxn:2:107651:134351,COc1cc(C)c(C)cc1C(CN1CC1)Nc1cnco1,ZEUHWPSLGHJNSX-UHFFFAOYSA-N
rxn:2:164315:170060,Cc1cc(-c2ccc(CCC(C)NCCC#Cc3ccc4[nH]c(=O)[nH]c(=O)c4c3)cc2)cs1,MATUYPZFLLXPMP-UHFFFAOYSA-N
rxn:2:130128:171492,CC(Nc1cnsc1)c1ccc(-c2cc3ccccc3s2)cc1,VVMLKRZFBXKUJR-UHFFFAOYSA-N
rxn:2:165720:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3n[nH]c4nc[nH]c(=O)c34)cc2)cs1,LDDXXBRSPGQFOO-UHFFFAOYSA-N
rxn:2:71072:166167,CC(Cc1cn[nH]c1)NC1CCc2c(ccc3ccccc23)C1,SXJINEWUKVLFRP-UHFFFAOYSA-N
rxn:2:162493:66791,Cc1csc(-c2csc(C(C)NCC#Cc3ccc4c(=O)[nH]cnc4c3)c2)c1,PQUWNFPDBXYESY-UHFFFAOYSA-N
rxn:2:135415:156984,COc1csc(-c2ccc(C(C)NCCCCc3c[nH]c(C)n3)c(C)c2)c1,QOQMJFMRAYKJCN-UHFFFAOYSA-N
rxn:2:133392:81963,CC(CCc1ccc2[nH]ccc2c1)NCCCSc1nccs1,ZIQFIWCIJQPVTO-UHFFFAOYSA-N
rxn:2:139991:96010,CCCC(NC(C)c1ccc(-c2ccsc2)cc1)c1nnn[nH]1,WPQUMIVGTPVYFH-UHFFFAOYSA-N
rxn:2:81958:124273,CC(NCc1ccc(C#CCn2ccnc2)cc1)c1ccc(-c2cnsc2)s1,JOHFSLOAQFYUJL-UHFFFAOYSA-N
rxn:2:121028:173016,CC(NCCSc1cnccn1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,HXLYXRFHWCCHOY-UHFFFAOYSA-N
rxn:2:92382:169400,CCC(Nc1cn[nH]c1)c1ccc(-c2ccc(C)s2)cc1C,BTAMHXUWNPKSSL-UHFFFAOYSA-N
rxn:2:132002:96010,CC(NC1CC(C2CCN(C)CC2)C1)c1ccc(-c2ccsc2)cc1,XKQGCDLGJYPWLF-UHFFFAOYSA-N
rxn:2:139357:105824,CN(C)C(CNc1nnco1)c1ccc2c(c1)CCCS2,DWFMKUBSSRBZSJ-UHFFFAOYSA-N
rxn:2:81680:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCc3cnn(C)c3)ccc1-2,JGSQXKNEHIJIDZ-UHFFFAOYSA-N
rxn:2:101355:171392,C(#Cc1cnc2cc[nH]c2c1)CNC1CCC(c2csc3ccccc23)CC1,DIFCJBWFLMUGTK-UHFFFAOYSA-N
rxn:2:85600:70192,Cc1ccc(OCCC(C)Nc2cscn2)c(C)c1,CTZXCPATVBAOQM-UHFFFAOYSA-N
rxn:2:92660:77974,CSCc1ncc(CCNC(C)c2ccc(-c3ccccc3)s2)cn1,YHIPLMBZHJZTFJ-UHFFFAOYSA-N
rxn:2:97900:88103,COCC(Nc1n[nH]c2[nH]ncc12)c1cc2ccccc2s1,PPBWJJNNZHUIKZ-UHFFFAOYSA-N
rxn:2:99558:96010,COc1ccc(CCCNC(C)c2ccc(-c3ccsc3)cc2)nn1,QWJWCMFRWQPWAM-UHFFFAOYSA-N
rxn:2:92434:108959,CC(C)CC(NC(C)c1ccc(-c2cccs2)cc1)c1nnn[nH]1,UDPJDKDVRPPZRT-UHFFFAOYSA-N
rxn:2:101284:170411,CCSc1ccc(-c2ccc(C(C)NCCSc3ncc(OC)cn3)c(C)c2)cc1,XIEAKPKOKQAISZ-UHFFFAOYSA-N
rxn:2:93670:67686,COc1cccc(C(CN2CC2)Nc2ccc3c(c2)OCC3)c1,DRVVNAPVUHMQFR-UHFFFAOYSA-N
rxn:2:90327:141195,CCC(NCCCc1cnc[nH]1)c1ccc(-c2sccc2C)cc1,OOJQALFOPGYAED-UHFFFAOYSA-N
rxn:2:74364:169412,Cc1csc(-c2ccc(CCC(C)NCC3CC3c3nccn3C)cc2)c1,AYHQZYKSGHUSRD-UHFFFAOYSA-N
rxn:2:110352:150431,CCNC(Cc1ccncc1)c1ccc2ccccc2c1,VMYKWQJSALWZKT-UHFFFAOYSA-N
rxn:2:149922:94543,Cc1cnc(-c2ccc(C(C)NCC3CC3c3ccc4c(=O)[nH]cnc4c3)s2)s1,VTKLBCPEPSGOIA-UHFFFAOYSA-N
rxn:2:123786:171392,Cn1cncc1C#CCNC1CCC(c2csc3ccccc23)CC1,GWQKPEXLPUXFQW-UHFFFAOYSA-N
rxn:2:73959:170060,Cc1cc(-c2ccc(CCC(C)NCC#Cc3ncc[nH]3)cc2)cs1,LTPGORJNRFWWMP-UHFFFAOYSA-N
rxn:2:138933:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCCOc1cn[nH]c1,SLGZQIZMERDLOM-UHFFFAOYSA-N
rxn:2:139602:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cnn(-c4cnccn4)c3)cc2)cs1,QUDUAHYRSSJQBX-UHFFFAOYSA-N
rxn:2:75710:108959,CC(NCCc1ccc2cc[nH]c2c1)c1ccc(-c2cccs2)cc1,GEUPMQGXHZETTN-UHFFFAOYSA-N
rxn:2:113875:70192,Cc1ccc(OCCC(C)NC2CCc3scnc32)c(C)c1,SZVHVDPBSUCHNF-UHFFFAOYSA-N
rxn:2:167169:108201,Cc1cccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)s2)c1,CDKPCGBBSZVBEQ-UHFFFAOYSA-N
rxn:2:144636:94543,Cc1cnc(-c2ccc(C(C)NCCC#Cc3ccc4[nH]c(=O)[nH]c4c3)s2)s1,JDTSWLHPVIVMMD-UHFFFAOYSA-N
rxn:2:166241:172076,O=c1[nH]c(=O)c2cc(C#CCNC3CCC(c4nc(-c5cccs5)cs4)CC3)ccc2[nH]1,ZRFKIGNYLBKGHV-UHFFFAOYSA-N
rxn:2:73728:88550,Cc1ccc(CCC(NC2CC2)C2CC2)c(C)c1,JAYBAGPBGSJFQA-UHFFFAOYSA-N
rxn:2:116296:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3nnc(C)o3)c2)cc1C,GVZJATSZPSUYKM-UHFFFAOYSA-N
rxn:2:93504:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3cocn3)c2)cc1C,LKCMSHSLTRGCCK-UHFFFAOYSA-N
rxn:2:81109:66791,Cc1csc(-c2csc(C(C)NCC#Cc3ccc4[nH]ncc4c3)c2)c1,XMFBXNQDRINESI-UHFFFAOYSA-N
rxn:2:83604:83991,CCC(C)CC(Cc1cccc(C)c1)NCC1N=N1,YLJVOFUBERQUFS-UHFFFAOYSA-N
rxn:2:145188:109025,Cc1csc(-c2cc(C(C)NCCC#Cc3ccc4c(=O)[nH]cnc4c3)cs2)c1,ONOXYKGJUDOSHU-UHFFFAOYSA-N
rxn:2:130209:67655,CC(NCCC#Cc1cnccn1)c1ccc(-c2ccccc2)cc1,DGZGMHCOCHFODE-UHFFFAOYSA-N
rxn:2:93954:74293,COc1ccccc1C(CN1CC1)NC1Cc2cscc2C1,MUYTXTNQAAPZGN-UHFFFAOYSA-N
rxn:2:118779:108959,COCc1cc(N2CCC(NC(C)c3ccc(-c4cccs4)cc3)CC2)ncn1,XELAPEDFHUYZRM-UHFFFAOYSA-N
rxn:2:97063:116515,CC(NCCSc1cnn[nH]1)c1ccc(-c2cccs2)nc1,FZADIBGDXKCKOS-UHFFFAOYSA-N
rxn:2:105196:142183,COCC(C)(Cc1cccc(C)c1)NCC=N,AFRQFOYBIALSOB-UHFFFAOYSA-N
rxn:2:138080:108959,CC(N[C@H]1CC[C@H](COc2cn[nH]c2)CC1)c1ccc(-c2cccs2)cc1,IRIFSQNMHZYAEF-VXMCLGGDSA-N
rxn:2:85630:126659,Cc1ccc2sc(C(C)NCCCOc3cnn(C)c3)cc2c1,DEDOKIUMFWNGLT-UHFFFAOYSA-N
rxn:2:70238:123403,Cc1ccc2cc(C(C)NCCC#Cc3ccncc3)sc2c1,IGKOXQATUDVJTM-UHFFFAOYSA-N
rxn:2:155875:98873,c1ccc2cc([C@@H](NC3CC3)C3CCOCC3)ccc2c1,SXOJHVKTPUIMMB-IBGZPJMESA-N
rxn:2:94771:96975,CCC(Nn1cnnc1)c1ccc(OC)c(C)c1C,LGGRSGXYUWXGGQ-UHFFFAOYSA-N
rxn:2:120369:170060,COc1ccc(C#CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)nn1,WKRWTTIFTMFZEK-UHFFFAOYSA-N
rxn:2:127751:172375,CC(Nc1cccnc1)c1ccc(-c2cc3ccccc3o2)c2c1OCO2,XIMJLVAFZVUDQP-UHFFFAOYSA-N
rxn:2:112208:172265,CC(NCCSCc1cnccn1)c1ccc(-c2ccc(-c3cccs3)s2)s1,VQMZGPQMCCLHEZ-UHFFFAOYSA-N
rxn:2:160401:110041,CC(NCCC#Cc1cnc2[nH]c(=O)oc2c1)c1csc(-c2ccsc2)c1,RBMSGKACYIXBSJ-UHFFFAOYSA-N
rxn:2:103624:169856,CC(Nc1cc[nH]c(=O)n1)c1cccc2c1sc1ccccc12,RKOVGFNXHDXXQB-UHFFFAOYSA-N
rxn:2:112079:110334,CSc1ncc(CCCNC(C)c2ccc3cc(C)ccc3c2)cn1,LWRRQBCOLYQJKM-UHFFFAOYSA-N
rxn:2:97543:66791,Cc1csc(-c2csc(C(C)NCCc3nnn[nH]3)c2)c1,RSBSGAZCVARFRP-UHFFFAOYSA-N
rxn:2:147732:98873,c1ccc2cc([C@H](NC3CC3)C3CCOCC3)ccc2c1,SXOJHVKTPUIMMB-LJQANCHMSA-N
rxn:2:160401:85686,CC(NCCC#Cc1cnc2[nH]c(=O)oc2c1)c1csc(-c2cccs2)c1,NFDUTDWJMYUVSH-UHFFFAOYSA-N
rxn:2:141238:123403,Cc1ccc2cc(C(C)NCCC(C)Sc3nnc[nH]3)sc2c1,IBMYUBIKJIVIOF-UHFFFAOYSA-N
rxn:2:92749:154103,c1ccc2cc(C(Nc3nnn[nH]3)c3cc[nH]c3)ccc2c1,KHCMZAUYFCQKKX-UHFFFAOYSA-N
rxn:2:111468:109025,Cc1csc(-c2cc(C(C)NCCC#Cc3cnc4cn[nH]c4c3)cs2)c1,MMOLSAPREUGNJW-UHFFFAOYSA-N
rxn:2:111746:170892,CC(NCCCCc1cnccn1)c1ccc(-c2cc3sccc3s2)s1,UMOKJBBCGQKTEL-UHFFFAOYSA-N
rxn:2:94439:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC3c3cncn3C)cc2)cs1,KKENMUDNXTVGSQ-UHFFFAOYSA-N
rxn:2:83688:120822,Cc1ccc(-c2ccc(C(C)NCC3CC3c3ccc(S(C)(=O)=O)cc3)cc2)s1,KINJIFGXGQBSRR-UHFFFAOYSA-N
rxn:2:77202:70192,Cc1ccc(OCCC(C)NCCCc2cn[nH]c2)c(C)c1,RPDTWGFHROQZHN-UHFFFAOYSA-N
rxn:2:106136:91563,CCn1cc(C#CCCNC(C)c2ccc(-c3ccco3)cc2C)cn1,QHSCZQJYAWUAAU-UHFFFAOYSA-N
rxn:2:132002:85686,CC(NC1CC(C2CCN(C)CC2)C1)c1csc(-c2cccs2)c1,FAILYJADWKKNPN-UHFFFAOYSA-N
rxn:2:144681:85686,CC(NCCC#Cc1ccc2[nH]c(=O)oc2c1)c1csc(-c2cccs2)c1,PAICOLMKFIUDKQ-UHFFFAOYSA-N
rxn:2:68618:109025,Cc1csc(-c2cc(C(C)NCC#Cc3ccc(-c4c[nH]cn4)cc3)cs2)c1,OZXFTBQYPOSRNI-UHFFFAOYSA-N
rxn:2:84123:69508,CCC(NCCCCC1(C)N=N1)c1ccc(-c2ccsc2)cc1,SNONVJQYVOZJOF-UHFFFAOYSA-N
rxn:2:108728:88359,CCC(NC(c1nnn[nH]1)C1CC1)c1ccc(-c2cscc2C)cc1,ZKVKKCBNVSHSIW-UHFFFAOYSA-N
rxn:2:146069:107408,CC(NCCCCc1ccc2[nH]c(=O)oc(=O)c2c1)c1ccc(-c2ccsc2)s1,DLKCPBUVIWIATB-UHFFFAOYSA-N
rxn:2:119168:71052,Cc1cc(N2CCC(NC(C)c3ccc(-c4ccsc4)s3)CC2)ncn1,QDFRIDXZNJZZPR-UHFFFAOYSA-N
rxn:2:79392:102419,CCCC(Cc1ccc2ccccc2c1)NCCCCc1cn[nH]c1,KSSHMDFBJRPOGG-UHFFFAOYSA-N
rxn:2:167592:170060,Cc1cc(-c2ccc(CCC(C)NCC#Cc3cnc4[nH]c(=O)oc4c3)cc2)cs1,JEMKYVGZNBBNHK-UHFFFAOYSA-N
rxn:2:83604:73049,CCCCC(Cc1ccccc1C)NCC1N=N1,LGRSYRUEBNHNGR-UHFFFAOYSA-N
rxn:2:167169:159800,COc1ccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)cc2)cc1,FSAXHMDDKUCCQS-UHFFFAOYSA-N
rxn:2:141397:162938,C=C=Cc1ccc2oc(C(C)NC)cc2c1,DAMAQIXTZFCTRK-UHFFFAOYSA-N
rxn:2:138516:171231,CCOc1cc(C)c(-c2csc(C(C)NCCSCc3nc[nH]c3C)c2)cc1C,PKYCORPMEAUCBC-UHFFFAOYSA-N
rxn:2:99084:127220,Cc1ccc(-c2cc(C(C)NCCCc3c[nH]nn3)cs2)s1,AGBHXTANWOMMPW-UHFFFAOYSA-N
rxn:2:104688:168058,COc1ccc2c(c1)CCc1cc(C(C)NC3CC(CCS(C)(=N)=O)C3)ccc1-2,QTBCWGTZSFBOLZ-UHFFFAOYSA-N
rxn:2:95063:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCSCc3ccno3)ccc1-2,COTFHTAKSOYVQR-UHFFFAOYSA-N
rxn:2:112154:110041,CC(NCC#Cc1ccc(S(C)(=O)=O)cc1)c1csc(-c2ccsc2)c1,WTYZIASLHLZACE-UHFFFAOYSA-N
rxn:2:67674:91563,Cc1cc(-c2ccco2)ccc1C(C)Nc1ccn(Cc2ccsc2)n1,INDOWSYOXNOYIQ-UHFFFAOYSA-N
rxn:2:73713:169412,Cc1csc(-c2ccc(CCC(C)NCCCCc3cnc4cc[nH]c4c3)cc2)c1,XGRZHVRADUESLR-UHFFFAOYSA-N
rxn:2:145188:96514,Cc1nc(-c2cc(C(C)NCCC#Cc3ccc4c(=O)[nH]cnc4c3)cs2)cs1,LHYAYXXOHOMSIC-UHFFFAOYSA-N
rxn:2:90963:107408,Cc1ccc(C#CCNC(C)c2ccc(-c3ccsc3)s2)nn1,NHVGZPORQAOACF-UHFFFAOYSA-N
rxn:2:67009:92488,COc1ccnc(C#CCNC(C)c2cc(-c3ccsc3)cs2)n1,ONUXWPAYLBWTPD-UHFFFAOYSA-N
rxn:2:105485:96010,CC(NCc1ccc(N2CCC(N(C)C)CC2)cc1)c1ccc(-c2ccsc2)cc1,FOZBEVWMTZTWDS-UHFFFAOYSA-N
rxn:2:134689:85327,Cc1ccc(-c2cc(C(C)NCCCC3CCN(C)CC3)cs2)cc1,LASJXIJPSYIXPI-UHFFFAOYSA-N
rxn:2:71463:92488,CC(NCCOc1ccc(-c2ccccn2)nn1)c1cc(-c2ccsc2)cs1,YDNZSVDJWXPVHG-UHFFFAOYSA-N
rxn:2:93664:120181,CSc1ccc(C#CCCNC(C)c2ccc(-c3ccsn3)cc2)cc1,MZOHNHVQDCACLG-UHFFFAOYSA-N
rxn:2:140051:170060,CCC(CSc1nncn1C)NC(C)CCc1ccc(-c2csc(C)c2)cc1,FZWAOXAXGBIORU-UHFFFAOYSA-N
rxn:2:109745:170668,CC(NCCOc1ccncn1)c1csc(-c2ccc(-c3ccco3)cc2)c1,IKSYWJCXGCYGFJ-UHFFFAOYSA-N
rxn:2:89033:146533,CC(NCCc1cnoc1)c1ccc(-c2ccc3cnoc3c2)s1,CDBBMSJPELNKLH-UHFFFAOYSA-N
rxn:2:75313:169851,CSc1ccc(-c2ccc(C(C)NCCCCc3cnc(C)nc3)cc2)cc1,HHUMAQOCNVKZIS-UHFFFAOYSA-N
rxn:2:77397:107408,CC(NCCCc1nnc(-c2ccc(=O)[nH]n2)o1)c1ccc(-c2ccsc2)s1,DNXSKAMGBHARPU-UHFFFAOYSA-N
rxn:2:86827:91624,CCc1cc(CC)c(NC(CCN(C)C)c2ccccc2)s1,QWBMYDLFSRHEMG-UHFFFAOYSA-N
rxn:2:114934:170892,CC(NCCC#Cc1cnc2nc[nH]c2c1)c1ccc(-c2cc3sccc3s2)s1,DTGUCEJACBLYRB-UHFFFAOYSA-N
rxn:2:114522:96010,CC(NCCC#Cc1cn(C)cn1)c1ccc(-c2ccsc2)cc1,LTROXWOTBCPGRD-UHFFFAOYSA-N
rxn:2:114191:96010,CC(NCCCCc1ccc[nH]1)c1ccc(-c2ccsc2)cc1,UFIWBAPLLAWFTG-UHFFFAOYSA-N
rxn:2:91065:170060,CCn1ccc(CCNC(C)CCc2ccc(-c3csc(C)c3)cc2)n1,WWIVENPPWHKNRD-UHFFFAOYSA-N
rxn:2:103132:142183,COc1cccc2cc(NCC=N)ccc12,SYDOYNBYYBDGOK-UHFFFAOYSA-N
rxn:2:96304:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cnc4ncnn4c3)cc2)cs1,MPIJDOPZLPCEJY-UHFFFAOYSA-N
rxn:2:66816:120822,Cc1ccc(-c2ccc(C(C)NC3CCN(C4CCN(C)CC4)CC3)cc2)s1,WZEPWWGXFLBLKL-UHFFFAOYSA-N
rxn:2:67058:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3nccn3C)c2)cc1C,MCYQVNJPYCOXBO-UHFFFAOYSA-N
rxn:2:112003:161103,COc1ccc(C#CCCNC(C)c2ccc3c(c2)Cc2ccccc2-3)cn1,NWHWHWOVLPYSDU-UHFFFAOYSA-N
rxn:2:114506:156697,O=c1cc(NC(c2ccc3ccccc3c2)C2CC2)[nH][nH]1,VIVYIUOKSGPMJV-UHFFFAOYSA-N
rxn:2:106136:78538,CCn1cc(C#CCCNC(C)c2ccc(-c3sccc3C)cc2)cn1,MHTFZLMABAPAFO-UHFFFAOYSA-N
rxn:2:118300:170892,COc1cccnc1CCCNC(C)c1ccc(-c2cc3sccc3s2)s1,BKXPYPUXOLAQMU-UHFFFAOYSA-N
rxn:2:87971:69508,CCC(N[C@H]1CC[C@H](CCN(C)C)CC1)c1ccc(-c2ccsc2)cc1,FHSLUYDPNFFUSK-VYNBAUGJSA-N
rxn:2:167169:170858,Cc1csc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)cc2C)c1,AJMWDDJPWPRYGG-UHFFFAOYSA-N
rxn:2:117731:156943,COc1ccc(-c2ccc(C(C)NCCc3ncn[nH]3)s2)c(C)c1,YYWJQBAMDOMOGP-UHFFFAOYSA-N
rxn:2:139218:116515,CC(NCC#Cc1cnn(-c2cnccn2)c1)c1ccc(-c2cccs2)nc1,DMZQJJPQSBQOCR-UHFFFAOYSA-N
rxn:2:94771:126659,Cc1ccc2sc(C(C)Nn3cnnc3)cc2c1,GYSUKGORNICAJM-UHFFFAOYSA-N
rxn:2:85117:120822,Cc1ccc(C#CCNC(C)c2ccc(-c3ccc(C)s3)cc2)cn1,BAYIOGOADCUZHB-UHFFFAOYSA-N
rxn:2:105340:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCCS(=O)(=O)F,XZNYEQSAGQKSOH-UHFFFAOYSA-N
rxn:2:139656:70192,Cc1ccc(OCCC(C)Nc2cccc3oc(=S)[nH]c23)c(C)c1,YZUYFPQUBHBWET-UHFFFAOYSA-N
rxn:2:86811:107408,CC(NC1CCC(CC2CCN(C)C2)CC1)c1ccc(-c2ccsc2)s1,ULKXNKUFAJXRNG-UHFFFAOYSA-N
rxn:2:98863:173016,CC(NCCOc1cccnn1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,YOJGUHVHKNGZOF-UHFFFAOYSA-N
rxn:2:68525:97264,COCc1cc(C#CCNC2CC(C#Cc3ccccc3)C2)cs1,PNSXELHZHJEWFM-UHFFFAOYSA-N
rxn:2:158858:122855,CC(NCC1CC1c1ccc2[nH]c(=O)oc2c1)c1ccc(-c2cccs2)s1,WJVBDKCQTLPASU-UHFFFAOYSA-N
rxn:2:105992:170060,CCn1c(C)nnc1SCCNC(C)CCc1ccc(-c2csc(C)c2)cc1,ZFWYMLMWBOXFIR-UHFFFAOYSA-N
rxn:2:97955:91624,CN(C)CCC(Nc1cccc2c1CC2)c1ccccc1,ZCFJRKXHTWTJQR-UHFFFAOYSA-N
rxn:2:89902:88532,CC(NC1CC(C#Cc2cnn(C)c2)C1)c1ccc(-c2cccs2)s1,YOQPBPYRPWWOKN-UHFFFAOYSA-N
rxn:2:139798:141988,Cc1cc(-c2ccc(C(C)NCCCc3cnc4nc[nH]c4c3)s2)cs1,GVXHEUDDHPMMCZ-UHFFFAOYSA-N
rxn:2:166241:171392,O=c1[nH]c(=O)c2cc(C#CCNC3CCC(c4csc5ccccc45)CC3)ccc2[nH]1,UKDYGVQWHNMYQN-UHFFFAOYSA-N
rxn:2:148180:129654,Cc1nc(-c2ccsc2)ccc1C(C)NCC1CC1c1ccc2[nH]c(=O)sc2c1,KCABONQLUJCYNB-UHFFFAOYSA-N
rxn:2:126579:95801,Cc1cc(C#CCNC(C)c2ccc(-c3cc[nH]c3)c(C)c2)cs1,LRWLWTQKANYHMX-UHFFFAOYSA-N
rxn:2:109567:109025,Cc1csc(-c2cc(C(C)NCc3cn[nH]n3)cs2)c1,QACCWCAUKSNFHS-UHFFFAOYSA-N
rxn:2:142622:137564,COc1ccc2oc(C(C)NCCC#Cc3ccc4[nH]c(=O)sc4c3)cc2c1,CVBQYINDTZNRFX-UHFFFAOYSA-N
rxn:2:145188:110041,CC(NCCC#Cc1ccc2c(=O)[nH]cnc2c1)c1csc(-c2ccsc2)c1,SHJMVNAGIUFHES-UHFFFAOYSA-N
rxn:2:163443:155572,Cc1ccc2cc(CCNC3CCc4cc(-c5nccs5)ccc43)c(=O)[nH]c2c1,LWDDWFDAEUVQHZ-UHFFFAOYSA-N
rxn:2:149922:170892,CC(NCC1CC1c1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2cc3sccc3s2)s1,MAIZSIXBTZXPAW-UHFFFAOYSA-N
rxn:2:81636:108959,CC(NCCc1ccc2[nH]ccc2c1)c1ccc(-c2cccs2)cc1,RSTVQEJILPNLFW-UHFFFAOYSA-N
rxn:2:93898:98873,CCCC[C@H](NC1CC1)c1ccc2ccccc2c1,OTCBAOYRDQAIQO-SFHVURJKSA-N
rxn:2:112154:124273,CC(NCC#Cc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2cnsc2)s1,LADXUOPQSCOVCP-UHFFFAOYSA-N
rxn:2:94402:123403,Cc1ccc2cc(C(C)NCC3CCC(CN4CCCC4)CC3)sc2c1,QBTSLPLDFHGGBQ-UHFFFAOYSA-N
rxn:2:100451:95801,Cc1ccc(C#CCNC(C)c2ccc(-c3cc[nH]c3)c(C)c2)s1,ASOQVXOWPSMDGV-UHFFFAOYSA-N
rxn:2:139991:108959,CCCC(NC(C)c1ccc(-c2cccs2)cc1)c1nnn[nH]1,BSLPPSQVAFQEIW-UHFFFAOYSA-N
rxn:2:163783:130974,C[C@H](NC1CC(COc2cnccn2)C1)c1ccc2c(c1)Cc1ccccc1-2,OTTMKQFSCAOMLO-BQJIDLTASA-N
rxn:2:93857:170060,CCn1cc(CCNC(C)CCc2ccc(-c3csc(C)c3)cc2)nn1,OBJBRSWZOSVEJZ-UHFFFAOYSA-N
rxn:2:139105:172317,CCSc1ccc(-c2ccc(C(CC)NCCC#Cc3ncc[nH]3)cc2)cc1,IUWFPUKMGUBMIB-UHFFFAOYSA-N
rxn:2:68984:173095,CC(NCCCn1cncn1)c1ccc2sc3ccccc3c2c1,SOJVXDSITOSPIX-UHFFFAOYSA-N
rxn:2:122351:81254,CCC(Nc1c[nH]nn1)c1ccc(OC)c(C)c1,UOLVWGQWJSMZLQ-UHFFFAOYSA-N
rxn:2:93644:92656,c1coc(-c2ccc(C(Nc3cn[nH]n3)C3CC3)cc2)c1,WPUWYQWJIPNAFC-UHFFFAOYSA-N
rxn:2:138080:120822,Cc1ccc(-c2ccc(C(C)N[C@H]3CC[C@H](COc4cn[nH]c4)CC3)cc2)s1,JOGMFHCGNHPCMC-KKUOWXDVSA-N
rxn:2:119514:156549,CCC(N[C@H](C)Cc1cnc[nH]1)c1ccc2cc(C)ccc2c1,YADLFKWJOAZQHD-IWPPFLRJSA-N
rxn:2:99055:170892,CC(NCCc1cc(-c2cccnc2)on1)c1ccc(-c2cc3sccc3s2)s1,NZALNLCAJFDMNE-UHFFFAOYSA-N
rxn:2:150732:122855,CC(NCCCc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2cccs2)s1,SMSCYRRARNVIKY-UHFFFAOYSA-N
rxn:2:130209:159800,COc1ccc(-c2ccc(C(C)NCCC#Cc3cnccn3)cc2)cc1,UESSXKPWITYWII-UHFFFAOYSA-N
rxn:2:135058:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCCc1csnn1,VNRDQQLKSOXYDZ-UHFFFAOYSA-N
rxn:2:137534:94314,Cc1cccc2c(C(C)NCCc3nnco3)csc12,OVQQNKPJQNZPJI-UHFFFAOYSA-N
rxn:2:106387:109025,Cc1csc(-c2cc(C(C)N[C@H]3CCN(c4cc(C)ncn4)C3)cs2)c1,AHUSDJUSVDVNLE-LWKPJOBUSA-N
rxn:2:138365:171231,CCOc1cc(C)c(-c2csc(C(C)NC3CC(c4cnccn4)C3)c2)cc1C,KAPGMYAJNJZPLM-UHFFFAOYSA-N
rxn:2:124198:95954,Cc1nc(-c2ccco2)sc1C(C)NCCC#Cc1ccsc1,XRAOMTIMDONXMH-UHFFFAOYSA-N
rxn:2:86385:172032,Cc1ccc(-c2ccc(C(C)NCc3c[nH]nn3)cc2)c(C)c1,LNZQRCLBWGFPGK-UHFFFAOYSA-N
rxn:2:130909:169412,Cc1csc(-c2ccc(CCC(C)NCCCS(=O)(=O)c3ccccn3)cc2)c1,WKLJITWTGKOJIU-UHFFFAOYSA-N
rxn:2:110352:90007,CCNC1CCC(C)CC1Cc1cc(C)ccc1C,URYYOFUIAZDMJO-UHFFFAOYSA-N
rxn:2:82050:169810,COc1ccc2oc(-c3ccc(C(C)NCc4n[nH]c(=O)o4)c(C)c3)cc2c1,LSTBQVSUAJMMMJ-UHFFFAOYSA-N
rxn:2:108049:85686,CC(NCCc1ccoc1)c1csc(-c2cccs2)c1,RUXSCEODNJQWNL-UHFFFAOYSA-N
rxn:2:156072:110334,Cc1ccc2cc(C(C)NCC#Cc3ccc4[nH]c(=O)oc4c3)ccc2c1,ZPIKODXEGOQKPU-UHFFFAOYSA-N
rxn:2:140189:105824,CN(C)C(CNc1ccc[nH]1)c1ccc2c(c1)CCCS2,URNBGNARLZVRRU-UHFFFAOYSA-N
rxn:2:77202:120822,Cc1ccc(-c2ccc(C(C)NCCCc3cn[nH]c3)cc2)s1,YVZTXAWNYWIDNO-UHFFFAOYSA-N
rxn:2:124792:146533,CC(NCc1ccn[nH]1)c1ccc(-c2ccc3cnoc3c2)s1,FQKGISFXIRKFKM-UHFFFAOYSA-N
rxn:2:93739:169412,COCCc1nc(CNC(C)CCc2ccc(-c3cc(C)cs3)cc2)no1,XAOCZLLXSSIWFB-UHFFFAOYSA-N
rxn:2:137534:126659,Cc1ccc2sc(C(C)NCCc3nnco3)cc2c1,BCUBNLAYBCJWSR-UHFFFAOYSA-N
rxn:2:92382:109025,Cc1csc(-c2cc(C(C)Nc3cn[nH]c3)cs2)c1,BEHNWZXTTWQRKW-UHFFFAOYSA-N
rxn:2:105333:107408,CC(NCC#Cc1ccc2ncsc2c1)c1ccc(-c2ccsc2)s1,LVDGKQBTIZKHQS-UHFFFAOYSA-N
rxn:2:86811:123403,Cc1ccc2cc(C(C)NC3CCC(CC4CCN(C)C4)CC3)sc2c1,KYNXBNBYTZJFCC-UHFFFAOYSA-N
rxn:2:76360:170892,Cc1n[nH]nc1CCCNC(C)c1ccc(-c2cc3sccc3s2)s1,HBQDRUOXEOFYMX-UHFFFAOYSA-N
rxn:2:95352:108959,CC(NC1CCN(c2cnco2)CC1)c1ccc(-c2cccs2)cc1,GIKBDARUZIWCJH-UHFFFAOYSA-N
rxn:2:73365:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCc3nncs3)ccc1-2,PGIRIBKWLCTGSC-UHFFFAOYSA-N
rxn:2:74379:67686,COc1cccc(C(CN2CC2)Nc2csc3ccccc23)c1,ULHZLIDXWZHXFB-UHFFFAOYSA-N
rxn:2:115801:111147,CC(NCCOc1ccc(-c2ccco2)nn1)c1ccc(-c2nccs2)cc1,HYINMPDDIJXEMP-UHFFFAOYSA-N
rxn:2:87876:127577,C(#Cc1cccs1)CCNC1CC2(C1)CC(c1ccccc1)C2,WBKMZPLKHJKEMN-UHFFFAOYSA-N
rxn:2:106616:173095,CC(NCc1cnsc1)c1ccc2sc3ccccc3c2c1,OVSDIGPBAKFWKV-UHFFFAOYSA-N
rxn:2:118136:170060,Cc1cc(-c2ccc(CCC(C)NC[C@@H]3CC[C@H](c4ncn[nH]4)O3)cc2)cs1,AJYPSSCMTMEMEQ-JDGCJKAJSA-N
rxn:2:92382:70956,Cc1c(-c2cccs2)cccc1C(C)Nc1cn[nH]c1,GVMDFMUQAQSSIK-UHFFFAOYSA-N
rxn:2:99558:110041,COc1ccc(CCCNC(C)c2csc(-c3ccsc3)c2)nn1,NZTFMOGLDPBJKQ-UHFFFAOYSA-N
rxn:2:88848:171231,CCOc1cc(C)c(-c2csc(C(C)NCCC#Cc3ncccn3)c2)cc1C,WEYWEZZSLDYGPZ-UHFFFAOYSA-N
rxn:2:72121:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3nc(C4CC4)n[nH]3)cc2)cs1,FBPMGUJTFBXJET-UHFFFAOYSA-N
rxn:2:88801:108959,CC(Nc1ccc(-c2nccs2)nn1)c1ccc(-c2cccs2)cc1,UZMYAUMEPMGAFC-UHFFFAOYSA-N
rxn:2:141819:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCc1n[nH]c(=O)o1,DLJABMNGTGHFOS-UHFFFAOYSA-N
rxn:2:92699:142183,N=CCNCc1ccc2ccccc2c1,HIMWZRXTSWKLSG-UHFFFAOYSA-N
rxn:2:164315:172618,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1cc(-c2cc3sccc3s2)cs1,CBQKSHCNUUNCCO-UHFFFAOYSA-N
rxn:2:86811:170858,Cc1csc(-c2ccc(C(C)NC3CCC(CC4CCN(C)C4)CC3)cc2C)c1,WWUYDZYDIPMXGF-UHFFFAOYSA-N
rxn:2:96741:171231,CCOc1cc(C)c(-c2csc(C(C)NCc3cocn3)c2)cc1C,ZNWKQISZCQITCH-UHFFFAOYSA-N
rxn:2:113672:113626,CC(NCCC1CC1c1cc[nH]c1)c1ccc(-c2cc[nH]c2)s1,FGJSQUDWJMYQDO-UHFFFAOYSA-N
rxn:2:92382:89191,CC(Nc1cn[nH]c1)c1ccc2c(ccn2C)c1,WGLZNFBTYQBBIS-UHFFFAOYSA-N
rxn:2:156072:114890,Cc1ccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)oc4c3)nc2)cc1,MQIYVZVFINEXGL-UHFFFAOYSA-N
rxn:2:142033:159612,CONC(Cc1cc(C)cc(C)c1)c1ccncc1,JMNLXWIMCAMYFF-UHFFFAOYSA-N
rxn:2:65963:170060,Cc1cc(-c2ccc(CCC(C)NCCOCc3cocn3)cc2)cs1,AFULJJOBKXNAGM-UHFFFAOYSA-N
rxn:2:145188:115202,COc1cccc2c1CCC(NCCC#Cc1ccc3c(=O)[nH]cnc3c1)C2,TUBAGHQZBSAMBO-UHFFFAOYSA-N
rxn:2:79532:80566,CCOc1ccc(C(C)NC2CCCC(SC(C)(C)C)C2)cc1C,IFOBIYXVLAYNEX-UHFFFAOYSA-N
rxn:2:126498:95801,Cc1cc(C(C)NCCCCc2ccoc2)ccc1-c1cc[nH]c1,GFYNXRNUHPWGET-UHFFFAOYSA-N
rxn:2:77202:104136,Cc1ccccc1-c1ccc(C(C)NCCCc2cn[nH]c2)s1,XDLBLVWCJBCERO-UHFFFAOYSA-N
rxn:2:127086:114519,Cc1ncc(C#CCNC(C)c2ccc(-c3ccsc3C)cc2)cn1,PKJVHLPJSDVGGH-UHFFFAOYSA-N
rxn:2:122923:111147,CC(NCCCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nccs2)cc1,NYIWSZBYJYSKFR-UHFFFAOYSA-N
rxn:2:73676:96010,CC(NCC1CC1c1ccc(S(=O)(=O)F)cc1)c1ccc(-c2ccsc2)cc1,STYWRTHAOUEKOR-UHFFFAOYSA-N
rxn:2:95601:76379,CC(NCC#Cc1cnn(-c2ncccn2)c1)c1ccc(-c2cscn2)cc1,UDSSLGFFRXMDQL-UHFFFAOYSA-N
rxn:2:129587:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3ncccn3)cc2)cs1,SQQMJVPOQOBSAZ-UHFFFAOYSA-N
rxn:2:115801:108959,CC(NCCOc1ccc(-c2ccco2)nn1)c1ccc(-c2cccs2)cc1,UMSGKOZBAXNNLS-UHFFFAOYSA-N
rxn:2:136139:109025,Cc1csc(-c2cc(C(C)NCC#Cc3ccnc(C)n3)cs2)c1,JKCULDADDXJVFJ-UHFFFAOYSA-N
rxn:2:84839:107956,COc1cc(C#CCNC(C)c2ccc(-c3ccc(C)cc3)cc2)ccn1,XYRDYDZESNXALF-UHFFFAOYSA-N
rxn:2:137446:110041,CC(NCC#Cc1ccc(S(=O)(=O)F)cc1)c1csc(-c2ccsc2)c1,AGGQIHZBWZKLHQ-UHFFFAOYSA-N
rxn:2:115674:78538,Cc1ccsc1-c1ccc(C(C)NCCc2cnc(-c3cnccn3)s2)cc1,SUYZXONMUPQIAV-UHFFFAOYSA-N
rxn:2:84123:171180,CCC(NCCCCC1(C)N=N1)c1ccc(-c2cc3cc(C)ccc3s2)cc1,PHGCXLUYYGIZQB-UHFFFAOYSA-N
rxn:2:141397:160069,CNC(Cc1ccc2ccccc2n1)c1cccc(C)c1,YIHQRQNUNRPFRD-UHFFFAOYSA-N
rxn:2:79379:170411,CCSc1ccc(-c2ccc(C(C)NCCCOc3ncccn3)c(C)c2)cc1,LETDAHWRBAQCSE-UHFFFAOYSA-N
rxn:2:136996:173095,CC(NOCc1nc[nH]n1)c1ccc2sc3ccccc3c2c1,JAQCRPURUACCGF-UHFFFAOYSA-N
rxn:2:144681:139886,CC(NCCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2ccco2)cc1,ABAQTHDSQCWWKY-UHFFFAOYSA-N
rxn:2:104271:126659,Cc1ccc2sc(C(C)NCC3CC3c3ccc4cc[nH]c4c3)cc2c1,DSHYGFWCYAWUQI-UHFFFAOYSA-N
rxn:2:86297:68807,Cc1ccsc1-c1ccc(C(C)NCc2cnsn2)s1,GUKVJVBUEJYNDS-UHFFFAOYSA-N
rxn:2:95063:169412,Cc1csc(-c2ccc(CCC(C)NCCSCc3ccno3)cc2)c1,GJPFZKCTDNSUFC-UHFFFAOYSA-N
rxn:2:72583:170411,CCSc1ccc(-c2ccc(C(C)NCCCc3[nH]cnc3C)c(C)c2)cc1,HQPKLVUVQANNQF-UHFFFAOYSA-N
rxn:2:142622:85300,O=c1[nH]c2ccc(C#CCCNC3CC4(Cc5ccccc5C4)C3)cc2s1,JCAPOTVAZDZJMD-UHFFFAOYSA-N
rxn:2:164276:124273,CC(NCCCCc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2cnsc2)s1,KHMCTJNADJSEOW-UHFFFAOYSA-N
rxn:2:140720:134530,CC(NCC#Cc1csc(Cn2cccn2)c1)c1cnc(-c2cccs2)s1,XVCLEQWICAZNKK-UHFFFAOYSA-N
rxn:2:162493:116441,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-n2cccc2)cc1,LSUIJPANTKBPRZ-UHFFFAOYSA-N
rxn:2:89311:68807,Cc1ccsc1-c1ccc(C(C)NCc2cn[nH]c2)s1,AITLOSVJCGWEFT-UHFFFAOYSA-N
rxn:2:84839:116515,COc1cc(C#CCNC(C)c2ccc(-c3cccs3)nc2)ccn1,VSWABTMAOMTLCU-UHFFFAOYSA-N
rxn:2:82516:85686,CC(NCC#Cc1cnn(CC2CCCOC2)c1)c1csc(-c2cccs2)c1,RDURYBXQJIDXEI-UHFFFAOYSA-N
rxn:2:113732:96010,CC(NCC#Cc1ccc2cc[nH]c2c1)c1ccc(-c2ccsc2)cc1,VXASRMGMQNEEPO-UHFFFAOYSA-N
rxn:2:126542:129654,COCCc1cc(N2CCC(NC(C)c3ccc(-c4ccsc4)nc3C)CC2)ncn1,NQMUPEQMUHZBOV-UHFFFAOYSA-N
rxn:2:87579:171669,Cc1cc(-c2ccc(C(C)NCCCCc3ccn(C)n3)cc2)c(C)s1,NNOPVHYTNJQSCR-UHFFFAOYSA-N
rxn:2:129458:141988,Cc1cc(-c2ccc(C(C)NCC#Cc3cnc4[nH]ccc4n3)s2)cs1,FBNOABAGZZWGJL-UHFFFAOYSA-N
rxn:2:74284:169594,CC(Nn1ccnn1)c1ccc2c(ccc3ccccc32)c1,SMBLFWKYMYKKNK-UHFFFAOYSA-N
rxn:2:87344:104330,COc1ccc(C#CCNC(C)c2ccc(-c3cc[nH]c3)cc2C)cc1,DAXQCATUNQQJFG-UHFFFAOYSA-N
rxn:2:167592:122855,CC(NCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2cccs2)s1,CUKHFXBRMFIFAM-UHFFFAOYSA-N
rxn:2:68410:169856,CC(NCCCn1nccn1)c1cccc2c1sc1ccccc12,IYYRTIFVKQWVDT-UHFFFAOYSA-N
rxn:2:84357:127220,Cc1ccc(-c2cc(C(C)NC3CCN(c4ncco4)CC3)cs2)s1,OTMKFZWKIOEODF-UHFFFAOYSA-N
rxn:2:91127:107408,CC(NCCC1CC1c1cncnc1)c1ccc(-c2ccsc2)s1,QWRUTPIFZQRJQI-UHFFFAOYSA-N
rxn:2:78981:98873,c1ccc2cc([C@@H](NC3CC3)C3CCC3)ccc2c1,DXJJKISTWYQFKD-SFHVURJKSA-N
rxn:2:140546:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCc1nc(=O)o[nH]1,VUHOTAJGGVURKV-UHFFFAOYSA-N
rxn:2:120709:96010,CC(NCc1ccc(OCC2CCCCN2C)cc1)c1ccc(-c2ccsc2)cc1,VXOHVAOFBWJLDF-UHFFFAOYSA-N
rxn:2:84871:169412,Cc1csc(-c2ccc(CCC(C)NCCC3CC3c3cnccn3)cc2)c1,QKRJVGVBTVQIJK-UHFFFAOYSA-N
rxn:2:138933:149508,Cc1ccccc1-c1ccc(C(C)NCCCOc2cn[nH]c2)cc1,ZLWVKVFKBJPYJC-UHFFFAOYSA-N
rxn:2:135415:170913,Cc1nc(CCCCNC(C)c2ccc(-c3cc4ccccc4s3)cc2C)c[nH]1,KRDCVHMCXLZBNS-UHFFFAOYSA-N
rxn:2:137816:125240,CCc1cccc2c1CCC(NCC#Cc1cnc(SC)nc1)C2,TWPDCQQBQDYVJW-UHFFFAOYSA-N
rxn:2:85140:96010,CC(CNC(C)c1ccc(-c2ccsc2)cc1)COC1CCN(C)CC1,CTYJQGRCGQJRSB-UHFFFAOYSA-N
rxn:2:108320:120822,Cc1ncc(C#CCCNC(C)c2ccc(-c3ccc(C)s3)cc2)cn1,GGCUTVSHABJXHV-UHFFFAOYSA-N
rxn:2:113672:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCC1CC1c1cc[nH]c1,UQFATFIYVUBFNR-UHFFFAOYSA-N
rxn:2:75557:170892,CC(NCCCc1nnn[nH]1)c1ccc(-c2cc3sccc3s2)s1,JKLFRJHIGGBJAP-UHFFFAOYSA-N
rxn:2:84839:108959,COc1cc(C#CCNC(C)c2ccc(-c3cccs3)cc2)ccn1,ABBQUTGVAUVYGA-UHFFFAOYSA-N
rxn:2:132131:156943,COc1ccc(-c2ccc(C(C)NCCCc3ncno3)s2)c(C)c1,UONVCMZHXOJLET-UHFFFAOYSA-N
rxn:2:128825:127220,Cc1ccc(-c2cc(C(C)NCCCc3cc[nH]c3)cs2)s1,CGPXGTGJTLPXAZ-UHFFFAOYSA-N
rxn:2:144681:166167,O=c1[nH]c2ccc(C#CCCNC3CCc4c(ccc5ccccc45)C3)cc2o1,WFVDPNYAXPILIY-UHFFFAOYSA-N
rxn:2:162493:100235,Cc1ccc2oc(C(C)NCC#Cc3ccc4c(=O)[nH]cnc4c3)cc2c1,UYMPUMVLXDUPQK-UHFFFAOYSA-N
rxn:2:116475:96010,CC(NCC#Cc1cc(C2CCC2)ncn1)c1ccc(-c2ccsc2)cc1,LFQIBRNUNFQUAV-UHFFFAOYSA-N
rxn:2:118433:156549,CCC(NCCCc1ncc[nH]1)c1ccc2cc(C)ccc2c1,WSJJIDDVIFXACQ-UHFFFAOYSA-N
rxn:2:113171:146828,CSCC(NCCCc1cnn[nH]1)c1ccc2cc(C)ccc2c1,UBSHUYHFSWEPQT-UHFFFAOYSA-N
rxn:2:112154:90126,CC(NCC#Cc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccsc2)cn1,HSXYARIBPIGGLA-UHFFFAOYSA-N
rxn:2:67562:85686,CC(NCCCc1cnc2cn[nH]c2c1)c1csc(-c2cccs2)c1,LYYNREIGGDHXBB-UHFFFAOYSA-N
rxn:2:135811:173095,CC(NCCOc1cn[nH]c1)c1ccc2sc3ccccc3c2c1,IMIMJTJZTUIEKY-UHFFFAOYSA-N
rxn:2:137816:104330,CSc1ncc(C#CCNC(C)c2ccc(-c3cc[nH]c3)cc2C)cn1,AWCJGKCVXGYXBJ-UHFFFAOYSA-N
rxn:2:133392:129880,Cc1nc(-c2cccs2)ccc1C(C)NCCCSc1nccs1,DGDHWLDMAFTMIN-UHFFFAOYSA-N
rxn:2:95352:91563,Cc1cc(-c2ccco2)ccc1C(C)NC1CCN(c2cnco2)CC1,IFFAEZRMGQEVBS-UHFFFAOYSA-N
rxn:2:95601:139886,CC(NCC#Cc1cnn(-c2ncccn2)c1)c1ccc(-c2ccco2)cc1,VACSBXUIDTYTDA-UHFFFAOYSA-N
rxn:2:92382:130267,CC(Nc1cn[nH]c1)c1ccc2ccsc2c1,OECOTHKQDJSKRG-UHFFFAOYSA-N
rxn:2:70440:94314,COc1ncc(CCCNC(C)c2csc3c(C)cccc23)cn1,RCPDTFWGUSUVCF-UHFFFAOYSA-N
rxn:2:79834:170060,Cc1cc(-c2ccc(CCC(C)NC[C@@H](C)c3nc(-c4cn[nH]c4)no3)cc2)cs1,PTKDWLCTRGQQIY-AAFJCEBUSA-N
rxn:2:70251:68807,Cc1ccsc1-c1ccc(C(C)NCCCN2CCC(N(C)C)CC2)s1,UQDFDTQBUSLRJI-UHFFFAOYSA-N
rxn:2:93504:138701,Cc1ccccc1-c1cc(C(C)NCCCc2cocn2)cs1,BBNAQDWJPHZOFV-UHFFFAOYSA-N
rxn:2:112830:85327,Cc1ccc(-c2cc(C(C)NCCCCc3ncccn3)cs2)cc1,HWLQPYGPFPYQKL-UHFFFAOYSA-N
rxn:2:132026:120822,Cc1ccc(-c2ccc(C(C)NCc3ccc4[nH]c(=O)oc4c3)cc2)s1,UUECGANZBGEZJQ-UHFFFAOYSA-N
rxn:2:91747:173179,CCSc1ccc(-c2cccc(C(C)NCCc3cnc(SC)nc3)c2C)cc1,GEDRDASSYXAHEV-UHFFFAOYSA-N
rxn:2:87688:171669,CCn1cc(CCCNC(C)c2ccc(-c3cc(C)sc3C)cc2)cn1,DWFLQWCXCYJQJJ-UHFFFAOYSA-N
rxn:2:100083:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCc3cnc(C)nc3)ccc1-2,VFMPACPFMWFQJZ-UHFFFAOYSA-N
rxn:2:86253:74293,COc1ccccc1C(CN1CC1)Nc1csc2c1CCC2,VSLQFZHIANAJFR-UHFFFAOYSA-N
rxn:2:95380:170668,CC(NCCOc1cnccn1)c1csc(-c2ccc(-c3ccco3)cc2)c1,WVKSPQXMMLVQLN-UHFFFAOYSA-N
rxn:2:116769:170060,COc1ccncc1CCCNC(C)CCc1ccc(-c2csc(C)c2)cc1,XHTKJCNPKXIBTR-UHFFFAOYSA-N
rxn:2:116191:138958,Cc1cc(C#CCCNC2CC(C#Cc3cn[nH]c3)C2)cs1,MBRXGFZNBZDNDE-UHFFFAOYSA-N
rxn:2:117731:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCc1ncn[nH]1,WDUSBIKXHBJFJP-UHFFFAOYSA-N
rxn:2:80519:70192,Cc1ccc(OCCC(C)NCCCc2c[nH]c(=S)[nH]2)c(C)c1,AWKUIZRFSPWCRP-UHFFFAOYSA-N
rxn:2:135415:171478,CCc1ccc(-c2ccc(C(C)NCCCCc3c[nH]c(C)n3)cc2)cc1,PXGIBPOEKJNGLA-UHFFFAOYSA-N
rxn:2:99842:141988,Cc1cc(-c2ccc(C(C)NCC3CC3c3ccc(N4CCN(C)CC4)cc3)s2)cs1,XFMFXFIOFVWPEI-UHFFFAOYSA-N
rxn:2:102016:68807,Cc1ccsc1-c1ccc(C(C)Nc2cncc3[nH]ncc23)s1,ZJWKCNULUVMEMB-UHFFFAOYSA-N
rxn:2:79671:75361,CN(C)CCC(Nc1csc2c1CCSC2)c1ccsc1,HQJREHWDRCKVLJ-UHFFFAOYSA-N
rxn:2:120435:120822,Cc1ccc(-c2ccc(C(C)NCC#Cc3cnn(CC4CC4)c3)cc2)s1,XHDPEZIKBSEKPE-UHFFFAOYSA-N
rxn:2:112154:70209,CC(NCC#Cc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2cnsc2)cn1,ZNGKJSOTQMTCMY-UHFFFAOYSA-N
rxn:2:124198:111147,CC(NCCC#Cc1ccsc1)c1ccc(-c2nccs2)cc1,UVXMRTFRCHOQGG-UHFFFAOYSA-N
rxn:2:73959:85686,CC(NCC#Cc1ncc[nH]1)c1csc(-c2cccs2)c1,WNCFLERSIVHIGQ-UHFFFAOYSA-N
rxn:2:106332:146828,CSCC(Nc1ocnc1C)c1ccc2cc(C)ccc2c1,BYBFPNHWBKFZAY-UHFFFAOYSA-N
rxn:2:103277:170060,Cc1cc(-c2ccc(CCC(C)NC[C@H]3C[C@@H](CS(C)(=O)=O)C3)cc2)cs1,KVIYYJQGXTWMHL-XGSMCBPESA-N
rxn:2:77976:154103,c1coc(NC(c2cc[nH]c2)c2ccc3ccccc3c2)c1,FSXUEBQIGKDXJN-UHFFFAOYSA-N
rxn:2:167676:142183,N=CCN[C@@H](c1ccc2c(c1)Cc1ccccc1-2)C1CC1,LYKKURPAXYIHQC-LJQANCHMSA-N
rxn:2:113732:139886,CC(NCC#Cc1ccc2cc[nH]c2c1)c1ccc(-c2ccco2)cc1,KMNOEFQEUOLVBB-UHFFFAOYSA-N
rxn:2:142314:110334,Cc1ccc2cc(C(C)NCC#Cc3ccc4[nH]ccc(=O)c4c3)ccc2c1,OETIQGDDVGWYHB-UHFFFAOYSA-N
rxn:2:122353:159692,CS(=O)(=O)c1cccc(C#CCCNC2CCc3cc(-c4cccs4)ccc32)c1,PUGBZEGVBLBDMS-UHFFFAOYSA-N
rxn:2:71459:70831,CC(NC1CCC(CCOS(C)(=O)=O)C1)c1ccc(-c2cncs2)cc1,RKBUEDRIGUOWDE-UHFFFAOYSA-N
rxn:2:137922:120181,CCOc1ncc(C#CCNC(C)c2ccc(-c3ccsn3)cc2)cn1,ONKFSHVCGQZLAC-UHFFFAOYSA-N
rxn:2:85122:75079,Cc1cccc2cc(C(C)NCCc3c[nH]nn3)sc12,LADJEGGPXORREG-UHFFFAOYSA-N
rxn:2:118218:170892,CC(NCCCc1cnc2cc[nH]c2c1)c1ccc(-c2cc3sccc3s2)s1,YYGBCNGLZUOTSK-UHFFFAOYSA-N
rxn:2:134347:170060,Cc1cc(-c2ccc(CCC(C)NC3CCN(c4cnccn4)CC3)cc2)cs1,KRGNGCSXOPDWBB-UHFFFAOYSA-N
rxn:2:86685:108959,CC(N[C@H](C)c1ccc2cc[nH]c2c1)c1ccc(-c2cccs2)cc1,KECSNIZGHMZTCN-OEMAIJDKSA-N
rxn:2:94771:155104,CN(C)C(Cc1ccccc1)C(Nn1cnnc1)c1cc2ccccc2o1,XWEINWUHXMCJJA-UHFFFAOYSA-N
rxn:2:92757:70192,Cc1ccc(OCCC(C)NCc2cnc3sccn23)c(C)c1,IPERXNSAOKTQOK-UHFFFAOYSA-N
rxn:2:116340:70192,COC[C@@H]1C[C@H]1CNC(C)CCOc1ccc(C)cc1C,RTWGQBCOFQSWSU-BSOSBYQFSA-N
rxn:2:68525:120822,COCc1cc(C#CCNC(C)c2ccc(-c3ccc(C)s3)cc2)cs1,INGZEXJJGNABEA-UHFFFAOYSA-N
rxn:2:135754:107408,COCCn1cc(C#CCNC(C)c2ccc(-c3ccsc3)s2)cn1,HVBGLTQGEVHMJI-UHFFFAOYSA-N
rxn:2:144636:172996,Cc1cccc(-c2ccc(C(C)NCCC#Cc3ccc4[nH]c(=O)[nH]c4c3)c(C)c2)c1,IGCYCSYKQVAKKM-UHFFFAOYSA-N
rxn:2:87637:169412,Cc1csc(-c2ccc(CCC(C)NCC3CC3c3cnc4nc[nH]c4c3)cc2)c1,BENHSEDKFFIZQK-UHFFFAOYSA-N
rxn:2:108730:108959,CC(NCCCc1nnn(-c2ccco2)n1)c1ccc(-c2cccs2)cc1,PGMWGLGRGPJLGF-UHFFFAOYSA-N
rxn:2:96304:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3cnc4ncnn4c3)cc2)c1,HKWDNJBKOWPBOI-UHFFFAOYSA-N
rxn:2:78535:68807,Cc1ccsc1-c1ccc(C(C)NCC#Cc2cnc3cn[nH]c3c2)s1,FMVIBZPJZPWOMV-UHFFFAOYSA-N
rxn:2:109543:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3c(C)n[nH]c3C)cc2)cs1,GSWZIVAYXIAGLS-UHFFFAOYSA-N
rxn:2:76625:172189,Cc1cc(-c2ccc(C3CCC(NCCC#Cc4cnc[nH]4)CC3)cc2)cs1,ZZJOMCBZYWAGJO-UHFFFAOYSA-N
rxn:2:86297:75228,Cc1ccc(CCC(C)NCc2cnsn2)c(C)c1,GFFJSNRHPSFFLE-UHFFFAOYSA-N
rxn:2:99055:141988,Cc1cc(-c2ccc(C(C)NCCc3cc(-c4cccnc4)on3)s2)cs1,IHLJJDRMQJYZMG-UHFFFAOYSA-N
rxn:2:135111:146533,CC(NCc1ccns1)c1ccc(-c2ccc3cnoc3c2)s1,FZURLHPDGSYJJC-UHFFFAOYSA-N
rxn:2:146036:111147,CC(NCC1CC1c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nccs2)cc1,YQGYCAAFRLUSIE-UHFFFAOYSA-N
rxn:2:104011:167458,CN1CCN(c2ccc(C#CCNC3COc4cc(-c5ccsc5)ccc43)cc2)CC1,GUYHXNIGJCMJNZ-UHFFFAOYSA-N
rxn:2:103624:156549,CCC(Nc1cc[nH]c(=O)n1)c1ccc2cc(C)ccc2c1,ITFSNOMRFRAGCI-UHFFFAOYSA-N
rxn:2:110271:68807,Cc1ccsc1-c1ccc(C(C)NCCCCn2cncn2)s1,JEALBIFKQCGEGN-UHFFFAOYSA-N
rxn:2:105485:102373,Cc1ccc(C2CC(NCc3ccc(N4CCC(N(C)C)CC4)cc3)C2)s1,GZRFZYNWGZTMEV-UHFFFAOYSA-N
rxn:2:89590:108959,CC(NC1CN(c2ncccn2)C1)c1ccc(-c2cccs2)cc1,GYUOZEYDRBCQLX-UHFFFAOYSA-N
rxn:2:135721:68807,Cc1ccsc1-c1ccc(C(C)Nc2cncc3cnsc23)s1,GUQGBEDWSLBAKU-UHFFFAOYSA-N
rxn:2:68618:151136,CC(NCC#Cc1ccc(-c2c[nH]cn2)cc1)c1cc2cc(-c3cc[nH]c3)ccc2o1,GFROMSFTSYPYRD-UHFFFAOYSA-N
rxn:2:110122:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCN(C)c3ccccn3)ccc1-2,FTEOYEPHQYSMAM-UHFFFAOYSA-N
rxn:2:138457:169412,Cc1csc(-c2ccc(CCC(C)NCC#Cc3ccc(-c4nn[nH]n4)cc3)cc2)c1,KXKIXDSGVHNXKD-UHFFFAOYSA-N
rxn:2:132998:120822,Cc1ccc(-c2ccc(C(C)NCc3ccc(-c4ccc(=O)[nH]c4)cc3)cc2)s1,YZIHBWIFDBNMGM-UHFFFAOYSA-N
rxn:2:80079:170060,COCCSc1cc(NC(C)CCc2ccc(-c3csc(C)c3)cc2)ccn1,MVMXOGPAMLREQL-UHFFFAOYSA-N
rxn:2:116035:120822,Cc1ccc(-c2ccc(C(C)NCCCOC3CCOCC3)cc2)s1,ZZDJLHIEULLQEA-UHFFFAOYSA-N
rxn:2:67288:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3n[nH]c4ncccc34)cc2)cs1,IVLNVCBHNPATNA-UHFFFAOYSA-N
rxn:2:77202:161514,CC(NCCCc1cn[nH]c1)c1cc(-c2ccc3c(c2)CC3)cs1,SSGURUVFXZRXOA-UHFFFAOYSA-N
rxn:2:87290:113826,CCCOc1ccc(C(C)NC2CCCC(C3CC3)C2)cc1C,NKXWJQMUSWDYJI-UHFFFAOYSA-N
rxn:2:112079:169412,CSc1ncc(CCCNC(C)CCc2ccc(-c3cc(C)cs3)cc2)cn1,SDORWESLYODDIL-UHFFFAOYSA-N
rxn:2:94769:120822,Cc1ccc(-c2ccc(C(C)NCC(C)COC3CCOC3)cc2)s1,USARRFYFQUSPGY-UHFFFAOYSA-N
rxn:2:162493:170892,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2cc3sccc3s2)s1,NJXDHYRKXSRMRP-UHFFFAOYSA-N
rxn:2:125956:68807,Cc1ccsc1-c1ccc(C(C)Nc2ccnc3nn[nH]c23)s1,OMFVEIQWKNQGEQ-UHFFFAOYSA-N
rxn:2:79392:127220,Cc1ccc(-c2cc(C(C)NCCCCc3cn[nH]c3)cs2)s1,OGQZEYIXFIAFIE-UHFFFAOYSA-N
rxn:2:113171:96010,CC(NCCCc1cnn[nH]1)c1ccc(-c2ccsc2)cc1,RQXLZQZVOFYVEV-UHFFFAOYSA-N
rxn:2:131974:169666,CC(NCCCc1cnccn1)c1cc(-c2ccc(-c3cccnc3)cc2)cs1,UCPYNQVKOOYJJF-UHFFFAOYSA-N
rxn:2:139949:108959,CC(N[C@@H](C)c1ccc2cc[nH]c2c1)c1ccc(-c2cccs2)cc1,KECSNIZGHMZTCN-LYKKTTPLSA-N
rxn:2:125447:169412,Cc1csc(-c2ccc(CCC(C)NCCC3CC3c3nc[nH]n3)cc2)c1,BXFMFPZALCTXSD-UHFFFAOYSA-N
rxn:2:139123:127220,Cc1ccc(-c2cc(C(C)NCC#Cc3ccc4ocnc4c3)cs2)s1,PCWNCJISHAAPCY-UHFFFAOYSA-N
rxn:2:104271:85686,CC(NCC1CC1c1ccc2cc[nH]c2c1)c1csc(-c2cccs2)c1,MAFQIWDUPDBEER-UHFFFAOYSA-N
rxn:2:72583:173248,Cc1cc(C)c(-c2ccc(C(C)NCCCc3[nH]cnc3C)s2)cc1C,DAKBIMFTVCREQP-UHFFFAOYSA-N
rxn:2:137734:85686,CC(NC1CCN(c2ccc(=O)[nH]n2)C1)c1csc(-c2cccs2)c1,OCHHKAWGFCAHTQ-UHFFFAOYSA-N
rxn:2:142622:161103,CC(NCCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc2c(c1)Cc1ccccc1-2,NKQXNXLEGQNWAP-UHFFFAOYSA-N
rxn:2:164315:143698,O=c1[nH]c(=O)c2cc(C#CCCNC3CC(c4ccc5ccccc5c4)C3)ccc2[nH]1,JVFVNZIUWGUMJM-UHFFFAOYSA-N
rxn:2:99720:173095,Cc1oncc1NC(C)c1ccc2sc3ccccc3c2c1,QEPSXFURTZAVHW-UHFFFAOYSA-N
rxn:2:93504:170962,CCCOc1ccc(-c2cc(C(C)NCCCc3cocn3)cs2)cc1,ODTHJIXWXRMYDH-UHFFFAOYSA-N
rxn:2:97779:170060,Cc1cc(-c2ccc(CCC(C)NCCCN(C)c3cncnn3)cc2)cs1,NEWXKZJHCZHFHU-UHFFFAOYSA-N
rxn:2:118279:69508,CCC(NCCCc1cscn1)c1ccc(-c2ccsc2)cc1,NQAOUYFFEQUYKA-UHFFFAOYSA-N
rxn:2:141397:172621,CNC1CCC(c2ccc(-c3cccc(C)c3)cc2)CC1,PKZGNGJQOMUKRX-UHFFFAOYSA-N
rxn:2:137531:146828,CSCC(NC(C)Cc1nnn[nH]1)c1ccc2cc(C)ccc2c1,HLZXODXQOUJGQO-UHFFFAOYSA-N
rxn:2:86811:141988,Cc1cc(-c2ccc(C(C)NC3CCC(CC4CCN(C)C4)CC3)s2)cs1,PPSQTVDHNOVAKJ-UHFFFAOYSA-N
rxn:2:101450:141195,CCC(Nc1cnsn1)c1ccc(-c2sccc2C)cc1,WNFBZELICPHPFH-UHFFFAOYSA-N
rxn:2:96712:108959,CC(NCCCc1ccsn1)c1ccc(-c2cccs2)cc1,MSMSSTAGTGLAAE-UHFFFAOYSA-N
rxn:2:142622:160916,O=c1[nH]c2ccc(C#CCCNC3CCN(c4ccc5sccc5c4)CC3)cc2s1,JPKKBOWRBNXOIY-UHFFFAOYSA-N
rxn:2:145188:94314,Cc1cccc2c(C(C)NCCC#Cc3ccc4c(=O)[nH]cnc4c3)csc12,NNWDGSWZMNWWRB-UHFFFAOYSA-N
rxn:2:150747:169851,CSc1ccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1,RWTHXALMMBWOBG-UHFFFAOYSA-N
rxn:2:105485:68807,Cc1ccsc1-c1ccc(C(C)NCc2ccc(N3CCC(N(C)C)CC3)cc2)s1,APOQRQDMLWBHMQ-UHFFFAOYSA-N
rxn:2:138592:155572,CC(NC1CCc2cc(-c3nccs3)ccc21)c1ccc(-c2ccsc2)cc1,SWVIGUMVHGVWRU-UHFFFAOYSA-N
rxn:2:68984:78538,Cc1ccsc1-c1ccc(C(C)NCCCn2cncn2)cc1,QUKPIPXDYZSCIH-UHFFFAOYSA-N
rxn:2:122923:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3ccc4[nH]c(=O)[nH]c4c3)cc2)c1,JJJLGWKWXMCFJB-UHFFFAOYSA-N
rxn:2:142622:109382,O=c1[nH]c2ccc(C#CCCNC3CCC(c4nccs4)CC3)cc2s1,FPNRITYGBLUVJR-UHFFFAOYSA-N
rxn:2:106136:110041,CCn1cc(C#CCCNC(C)c2csc(-c3ccsc3)c2)cn1,FUJDKIBCCMKFOZ-UHFFFAOYSA-N
rxn:2:67595:70192,Cc1ccc(OCCC(C)NCc2nocc2C)c(C)c1,RUOMKINYNYRXAO-UHFFFAOYSA-N
rxn:2:96741:169340,CC(NCc1cocn1)c1ccc(-c2cc3ccccc3s2)s1,BAZCQBCPOGWSQN-UHFFFAOYSA-N
rxn:2:160401:68807,Cc1ccsc1-c1ccc(C(C)NCCC#Cc2cnc3[nH]c(=O)oc3c2)s1,QHKVUNXHTBMJMG-UHFFFAOYSA-N
rxn:2:107766:169412,COc1ccc(C2CC2CNC(C)CCc2ccc(-c3cc(C)cs3)cc2)nn1,URYJWMXOYKQNLC-UHFFFAOYSA-N
rxn:2:116138:169400,CCC(NCCC1CC1c1ncc[nH]1)c1ccc(-c2ccc(C)s2)cc1C,OFMWDMAXXVNXDW-UHFFFAOYSA-N
rxn:2:106791:170060,Cc1cc(N2CCC(NC(C)CCc3ccc(-c4csc(C)c4)cc3)C2)[nH]n1,SQMDSLNQJZYUEE-UHFFFAOYSA-N
rxn:2:110342:170060,Cc1cc(-c2ccc(CCC(C)N[C@@H]3CCN(c4ccncn4)C3)cc2)cs1,LOOSNBWKDUGTIL-IVAFLUGOSA-N
rxn:2:124200:170411,CCSc1ccc(-c2ccc(C(C)NCCN(C)c3ccncn3)c(C)c2)cc1,LZAAPDNXMZYVQY-UHFFFAOYSA-N
rxn:2:109788:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3cn(C)cn3)c2)cc1C,VBDZBSOVGCIGRR-UHFFFAOYSA-N
rxn:2:109788:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCc3cn(C)cn3)ccc1-2,MATIUALCABOVPI-UHFFFAOYSA-N
rxn:2:138463:91563,Cc1cc(-c2ccco2)ccc1C(C)NCCCc1nc(=O)[nH][nH]1,WCMLDCBPYVOXCY-UHFFFAOYSA-N
rxn:2:133483:170060,Cc1cc(-c2ccc(CCC(C)NCCn3cc(-c4cnccn4)cn3)cc2)cs1,JQXVWPOPFUHDNL-UHFFFAOYSA-N
rxn:2:116949:83009,CC(CCNC(C)c1cc2ccccc2s1)c1nc[nH]n1,QFDMONFNGHZDFP-UHFFFAOYSA-N
rxn:2:118506:105101,CC(NCC#Cc1ccc(-n2cccn2)cc1)c1ccc(-c2ccc[nH]2)cc1,YLGLNTVBWBLKMF-UHFFFAOYSA-N
rxn:2:107777:169412,Cc1csc(-c2ccc(CCC(C)NCCC#Cc3nccn3C)cc2)c1,RMEOPZMSXQEDFW-UHFFFAOYSA-N
rxn:2:96388:159800,COc1ccc(-c2ccc(C(C)NCCC#Cc3nccs3)cc2)cc1,BEOYRGIYNRCIRR-UHFFFAOYSA-N
rxn:2:138457:66791,Cc1csc(-c2csc(C(C)NCC#Cc3ccc(-c4nn[nH]n4)cc3)c2)c1,YXICONYQRVWKLY-UHFFFAOYSA-N
rxn:2:76236:97563,CCOc1ccc(C(CC)NC2CCC(CS(=O)(=O)C(C)C)C2)cc1C,LVBWZYKEPAIXCI-UHFFFAOYSA-N
rxn:2:94862:173095,CC(NCc1cc(=O)[nH][nH]1)c1ccc2sc3ccccc3c2c1,ALSYQRZSDIYZME-UHFFFAOYSA-N
rxn:2:84123:109025,Cc1csc(-c2cc(C(C)NCCCCC3(C)N=N3)cs2)c1,YSPCSRIGDUCSQV-UHFFFAOYSA-N
rxn:2:117348:78077,CCC(NCCCc1n[nH]c(C)n1)c1ccc(-c2cscc2C)s1,QHPYPPSLLMXFHF-UHFFFAOYSA-N
rxn:2:102522:95801,COc1ccc(C#CCNC(C)c2ccc(-c3cc[nH]c3)c(C)c2)nn1,QKUSXHDUJPFBBU-UHFFFAOYSA-N
rxn:2:145188:141988,Cc1cc(-c2ccc(C(C)NCCC#Cc3ccc4c(=O)[nH]cnc4c3)s2)cs1,PVHVNDLJZAQBCG-UHFFFAOYSA-N
rxn:2:141544:92488,CC(NCCSc1ncn[nH]1)c1cc(-c2ccsc2)cs1,PGNDWFRKZWHADO-UHFFFAOYSA-N
rxn:2:66358:126659,Cc1ccc2sc(C(C)NCCCCc3ccn[nH]3)cc2c1,SKYJJMLBKZTHOB-UHFFFAOYSA-N
rxn:2:71469:170060,Cc1cc(-c2ccc(CCC(C)NCCC(C)Sc3nnnn3C)cc2)cs1,JXFBECRNBBGCKM-UHFFFAOYSA-N
rxn:2:92434:169412,Cc1csc(-c2ccc(CCC(C)NC(CC(C)C)c3nnn[nH]3)cc2)c1,QWFXSFCLQMTGNE-UHFFFAOYSA-N
rxn:2:118433:129654,Cc1nc(-c2ccsc2)ccc1C(C)NCCCc1ncc[nH]1,REIFSICIDVFGEL-UHFFFAOYSA-N
rxn:2:112350:120822,Cc1ccc(-c2ccc(C(C)NCCC#Cc3cnn(C)c3)cc2)s1,OTZAFSJWGPMYNZ-UHFFFAOYSA-N
rxn:2:90648:170060,Cc1cc(-c2ccc(CCC(C)NCCc3ccc(=O)[nH]c3)cc2)cs1,HWVRGWWQVJUXDH-UHFFFAOYSA-N
rxn:2:117046:152911,CC#CCNC(C)c1ccc(-c2ccc3ncsc3c2)c2c1OCO2,SYVXMGKVWHPCAW-UHFFFAOYSA-N
rxn:2:87971:83009,CC(N[C@H]1CC[C@H](CCN(C)C)CC1)c1cc2ccccc2s1,JFQBMFMOESTSCV-CPONINCNSA-N
rxn:2:128825:139886,CC(NCCCc1cc[nH]c1)c1ccc(-c2ccco2)cc1,YAVOVSUVETYKFW-UHFFFAOYSA-N
rxn:2:86568:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCSc3ncc(C)cn3)ccc1-2,ZLDMFMNUXIPXEP-UHFFFAOYSA-N
rxn:2:109661:172618,CC(NOCc1cccnc1)c1cc(-c2cc3sccc3s2)cs1,GFTWUQAUSQFOLJ-UHFFFAOYSA-N
rxn:2:89554:141889,Cc1cccc(C2CCC(NCC#Cc3cnc4nc[nH]c4c3)CC2)c1,JCXPULNCEYSYFX-UHFFFAOYSA-N
rxn:2:116949:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCC(C)c1nc[nH]n1,BRFGSDSKQVBVEG-UHFFFAOYSA-N
rxn:2:68378:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NC1CN(c2ncco2)C1,GJCVOJHJLDFTPT-UHFFFAOYSA-N
rxn:2:72400:120822,Cc1cncc(C#CCNC(C)c2ccc(-c3ccc(C)s3)cc2)n1,ODTFDIMDPHDQNN-UHFFFAOYSA-N
rxn:2:76896:123403,Cc1ccc2cc(C(C)NCCC#Cc3cccnc3)sc2c1,MXAPLEVKWODOLX-UHFFFAOYSA-N
rxn:2:112154:114519,Cc1sccc1-c1ccc(C(C)NCC#Cc2ccc(S(C)(=O)=O)cc2)cc1,QGMOVIJNEHQNEX-UHFFFAOYSA-N
rxn:2:127261:68807,Cc1ccsc1-c1ccc(C(C)NCCSCc2[nH]cnc2C)s1,FMIDQBNIOCVFND-UHFFFAOYSA-N
rxn:1:60111:13888,CN(Cc1cn(I)nn1)C1CCc2ccccc2C1,KDNCBMVAGKNVNC-UHFFFAOYSA-N
rxn:2:82490:170060,Cc1cnc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)nc1,RFNSDWDOQFQJFH-UHFFFAOYSA-N
rxn:2:97063:173095,CC(NCCSc1cnn[nH]1)c1ccc2sc3ccccc3c2c1,AKDCEPLWMRMUKJ-UHFFFAOYSA-N
rxn:2:141397:74816,CNC(C)c1ccc2ccoc2c1,MWFQXEMKNVYIER-UHFFFAOYSA-N
rxn:2:112079:94314,CSc1ncc(CCCNC(C)c2csc3c(C)cccc23)cn1,YQMNARPBFFATRC-UHFFFAOYSA-N
rxn:2:139218:111147,CC(NCC#Cc1cnn(-c2cnccn2)c1)c1ccc(-c2nccs2)cc1,RZWRUOLCFFULDB-UHFFFAOYSA-N
rxn:2:94616:156984,CCc1cc(OC2CCC(NC(C)c3ccc(-c4cc(OC)cs4)cc3C)CC2)ncn1,HCFSONGRMDEYOJ-UHFFFAOYSA-N
rxn:2:70411:156984,COc1csc(-c2ccc(C(C)NCC3CC3c3cnc4cc[nH]c4c3)c(C)c2)c1,WSFAUCRLOMMRQD-UHFFFAOYSA-N
rxn:2:78535:169300,Cc1ccc(-c2ccc3oc(C(C)NCC#Cc4cnc5cn[nH]c5c4)cc3c2)s1,ORPKXWIPYYUWPV-UHFFFAOYSA-N
rxn:2:140908:123403,Cc1ccc2cc(C(C)NCCCc3cnoc3)sc2c1,UESCHDKJNRBWSY-UHFFFAOYSA-N
rxn:2:119851:127220,Cc1ccc(-c2cc(C(C)NC[C@@H]3CCO[C@H]3c3cn[nH]c3)cs2)s1,CPYUYUHTRLFKQR-XODGURCBSA-N
rxn:2:80075:169412,Cc1csc(-c2ccc(CCC(C)NCCS(=O)(=O)CC3CC3)cc2)c1,CKSFNVDJUUYXIZ-UHFFFAOYSA-N
rxn:2:104688:78538,Cc1ccsc1-c1ccc(C(C)NC2CC(CCS(C)(=N)=O)C2)cc1,NBRWPCDFRKESHU-UHFFFAOYSA-N
rxn:2:126542:96010,COCCc1cc(N2CCC(NC(C)c3ccc(-c4ccsc4)cc3)CC2)ncn1,YEXCCFUYUCYFRF-UHFFFAOYSA-N
rxn:2:83020:169305,CSc1ncnc(NC(C)c2ccc(-c3cc4ccccc4o3)cc2C)n1,IZVYCGIITJRGFL-UHFFFAOYSA-N
rxn:2:137534:169400,CCC(NCCc1nnco1)c1ccc(-c2ccc(C)s2)cc1C,ALNVMNSBBDYMEE-UHFFFAOYSA-N
rxn:2:81401:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3ccon3)c2)cc1C,ZZJIZHJIVBFXLO-UHFFFAOYSA-N
rxn:2:160401:169412,Cc1csc(-c2ccc(CCC(C)NCCC#Cc3cnc4[nH]c(=O)oc4c3)cc2)c1,GGNNHCFZFYENKV-UHFFFAOYSA-N
rxn:2:108667:107408,CC(NCCOc1ccc(-c2cccs2)nn1)c1ccc(-c2ccsc2)s1,MPDYUINSCKLUFS-UHFFFAOYSA-N
rxn:2:83170:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCCc1ccncn1,ZBJLHBOSGPTGDW-UHFFFAOYSA-N
rxn:2:79392:108959,CC(NCCCCc1cn[nH]c1)c1ccc(-c2cccs2)cc1,SQMIOIGKEDJTMQ-UHFFFAOYSA-N
rxn:2:123063:170411,CCSc1ccc(-c2ccc(C(C)NCCN(C)c3ncccn3)c(C)c2)cc1,MSCAHJIDEVFEHG-UHFFFAOYSA-N
rxn:2:108306:83817,CCSC1CCC(NC(C)CCOc2ccccc2C)C1,SDVKCWGYNDNSJE-UHFFFAOYSA-N
rxn:2:68805:84708,CCCc1[nH]ncc1NC(CN(C)CC)c1ccc(C)cc1C,ITAOSZQMQHHMAH-UHFFFAOYSA-N
rxn:2:86297:169340,CC(NCc1cnsn1)c1ccc(-c2cc3ccccc3s2)s1,UPNAUWCGVLCWDR-UHFFFAOYSA-N
rxn:2:112208:116842,CSc1ccc(-c2ccc(C(C)NCCSCc3cnccn3)s2)cc1,SKTCMFFPZRRKSC-UHFFFAOYSA-N
rxn:2:115452:170060,Cc1ccn2cc(CCNC(C)CCc3ccc(-c4csc(C)c4)cc3)nc2n1,HEHNTSGUCLOLOA-UHFFFAOYSA-N
rxn:2:70104:78538,Cc1ccsc1-c1ccc(C(C)NCCC(C)(C)CC2CCCN(C)C2)cc1,QJOJFUDUCTTZCJ-UHFFFAOYSA-N
rxn:2:123785:169412,Cc1csc(-c2ccc(CCC(C)NCCCCc3ccc4[nH]cnc4c3)cc2)c1,XBSGJHHZEAQTKO-UHFFFAOYSA-N
rxn:2:130225:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCCc1cnco1,KITDMCKTEWBNLR-UHFFFAOYSA-N
rxn:2:139659:122855,CC(NCCC1CC1c1c[nH]cn1)c1ccc(-c2cccs2)s1,ITNXAFPXTMYKSQ-UHFFFAOYSA-N
rxn:2:109607:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCCC3N=N3)c2)cc1C,AXBNYIYNHKRQCX-UHFFFAOYSA-N
rxn:2:138592:78392,COCCN(C)C1CCC(NC(C)c2ccc(-c3ccsc3)cc2)CC1,AIZDFHWPTBDLBM-UHFFFAOYSA-N
rxn:2:69444:85686,CC(NCCc1ccc(N2CCN(C)CC2)cc1)c1csc(-c2cccs2)c1,MRVUSCOKVRJUSN-UHFFFAOYSA-N
rxn:2:134607:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCSc3ncccn3)c2)cc1C,GPQYERADUNJWRA-UHFFFAOYSA-N
rxn:2:95462:68807,Cc1ccsc1-c1ccc(C(C)Nc2cnnc3[nH]nnc23)s1,HRPJMAPUMSISRO-UHFFFAOYSA-N
rxn:2:81518:170411,CCSc1ccc(-c2ccc(C(C)NCCCc3cc(C)no3)c(C)c2)cc1,VPLHLMOPSVDVGQ-UHFFFAOYSA-N
rxn:2:145750:88106,Cc1ccc([C@@H]2CCC(NCCC#Cc3ccc4[nH]c(=O)oc(=O)c4c3)C2)cc1,QRPJEGDWTTWGJH-FIWHBWSRSA-N
rxn:2:70378:78538,Cc1ccsc1-c1ccc(C(C)NCCCCc2cc[nH]c2)cc1,MIXVERGIEIQOOO-UHFFFAOYSA-N
rxn:2:109607:172189,Cc1cc(-c2ccc(C3CCC(NCCCCC4N=N4)CC3)cc2)cs1,ADIHUZBXYCNRBH-UHFFFAOYSA-N
rxn:2:136231:170892,COCc1cc(N2CCC(NC(C)c3ccc(-c4cc5sccc5s4)s3)C2)ncn1,HZFIOIAKJBMUIZ-UHFFFAOYSA-N
rxn:2:141397:172927,CNC(C)c1cc(-c2ccc3c(c2)Cc2ccccc2-3)cs1,SPACIRXBNPYVIE-UHFFFAOYSA-N
rxn:2:84123:169666,CC(NCCCCC1(C)N=N1)c1cc(-c2ccc(-c3cccnc3)cc2)cs1,WMIASQDYEMVLLD-UHFFFAOYSA-N
rxn:2:117348:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3n[nH]c(C)n3)c2)cc1C,YLPLRWQVLQYQEY-UHFFFAOYSA-N
rxn:2:141497:171246,Cc1cc(-c2ccc(-c3ccco3)cc2)ccc1C(C)NCc1cnon1,HEGSXDMULMOAQV-UHFFFAOYSA-N
rxn:2:102636:78538,COCCOC1CCC(NC(C)c2ccc(-c3sccc3C)cc2)CC1,PQQCHOAGGSPUKD-UHFFFAOYSA-N
rxn:2:139105:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NCCC#Cc1ncc[nH]1,XBQYYPUCJPMTCD-UHFFFAOYSA-N
rxn:2:141397:172210,CCc1ccc(C(NC)C2CC2c2ccccc2C)cc1,MCGREQSGJFWLNI-UHFFFAOYSA-N
rxn:2:73713:126659,Cc1ccc2sc(C(C)NCCCCc3cnc4cc[nH]c4c3)cc2c1,ZOPIIDRXLJIKQA-UHFFFAOYSA-N
rxn:2:132946:169810,COc1ccc2oc(-c3ccc(C(C)NCCCS(C)(=N)=O)c(C)c3)cc2c1,KGHWTUBIWXJLAB-UHFFFAOYSA-N
rxn:2:79392:172032,Cc1ccc(-c2ccc(C(C)NCCCCc3cn[nH]c3)cc2)c(C)c1,VCROOVFZRNSQDF-UHFFFAOYSA-N
rxn:2:162493:81125,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2ccco2)s1,XVZITTFRHJPTCU-UHFFFAOYSA-N
rxn:2:117046:146533,CC#CCNC(C)c1ccc(-c2ccc3cnoc3c2)s1,SBIVOWYIDGGMHR-UHFFFAOYSA-N
rxn:2:78560:122855,COc1cc(NC(C)c2ccc(-c3cccs3)s2)cnn1,XIDAAKTUOSBUQG-UHFFFAOYSA-N
rxn:2:122815:107408,Cc1nc2c(s1)CC(CNC(C)c1ccc(-c3ccsc3)s1)CC2,XWZZDPKPUNNNOB-UHFFFAOYSA-N
rxn:2:93698:67686,CC[C@H](NC(CN1CC1)c1cccc(OC)c1)c1ccc[nH]1,RSVBOOSOTSALMV-ATNAJCNCSA-N
rxn:2:67380:139570,COc1cccc2c(C(C)NC3CCC4(CC3)CCN(C)CC4)c[nH]c12,KRZOUKINRAJVLI-UHFFFAOYSA-N
rxn:2:129458:68807,Cc1ccsc1-c1ccc(C(C)NCC#Cc2cnc3[nH]ccc3n2)s1,GTKBZKVFDZDXSZ-UHFFFAOYSA-N
rxn:2:167169:131730,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccccn2)nc1,FERODABSPATJLZ-UHFFFAOYSA-N
rxn:2:110352:172778,CCNC(c1ccc(-c2cc3ccccc3o2)cc1)c1ccccn1,FTCAAMQSAAPBMA-UHFFFAOYSA-N
rxn:2:89509:169594,CC(Nc1cncc(=O)[nH]1)c1ccc2c(ccc3ccccc32)c1,AGXZZYWJBVBWIV-UHFFFAOYSA-N
rxn:2:167592:111147,CC(NCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccc(-c2nccs2)cc1,MVNUWBDXZUUJTO-UHFFFAOYSA-N
rxn:2:116296:96010,Cc1nnc(CCCNC(C)c2ccc(-c3ccsc3)cc2)o1,VJFLGIQERXDYRM-UHFFFAOYSA-N
rxn:2:101355:161103,CC(NCC#Cc1cnc2cc[nH]c2c1)c1ccc2c(c1)Cc1ccccc1-2,FYHFDGWLGZPVPE-UHFFFAOYSA-N
rxn:2:134867:98873,CCC[C@@H](NC1CC1)c1ccc2ccccc2c1,FBNVYTNAFLGUJZ-QGZVFWFLSA-N
rxn:2:113672:122855,CC(NCCC1CC1c1cc[nH]c1)c1ccc(-c2cccs2)s1,LJHNUCMTOUINTM-UHFFFAOYSA-N
rxn:2:167169:169594,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc2c(ccc3ccccc32)c1,JIZWPTSBERXIKF-UHFFFAOYSA-N
rxn:2:105485:82536,CC(CCCc1cccs1)NCc1ccc(N2CCC(N(C)C)CC2)cc1,SPIYEUOXCPKWLE-UHFFFAOYSA-N
rxn:2:72841:107408,CC(NCCCc1ccc(-c2c[nH]cn2)cc1)c1ccc(-c2ccsc2)s1,IUSXGXXPMLKSPT-UHFFFAOYSA-N
rxn:2:119366:126659,Cc1ccc2sc(C(C)NC3CCC(CN4CCCC4)CC3)cc2c1,HYUIYRMMBAQBFD-UHFFFAOYSA-N
rxn:2:70238:108959,CC(NCCC#Cc1ccncc1)c1ccc(-c2cccs2)cc1,QFQOZBNZRUSEKP-UHFFFAOYSA-N
rxn:2:145188:129654,Cc1nc(-c2ccsc2)ccc1C(C)NCCC#Cc1ccc2c(=O)[nH]cnc2c1,KPNGQNULRXJKLX-UHFFFAOYSA-N
rxn:2:113771:142183,CC(C)C(NCC=N)c1ccc2ccccc2c1,GPOYGFFPDNCASR-UHFFFAOYSA-N
rxn:2:130225:85327,Cc1ccc(-c2cc(C(C)NCCc3cnco3)cs2)cc1,DYASQOXMVNTLKB-UHFFFAOYSA-N
rxn:2:141397:163212,CNC1COc2c1ccc1ccccc21,GTEZPLKVUXUXHJ-UHFFFAOYSA-N
rxn:2:125202:126659,CCC(NC(C)c1cc2cc(C)ccc2s1)c1cnn[nH]1,RGGRRJLSJULSLX-UHFFFAOYSA-N
rxn:2:77202:172032,Cc1ccc(-c2ccc(C(C)NCCCc3cn[nH]c3)cc2)c(C)c1,NBTXNCPSUIDCOH-UHFFFAOYSA-N
rxn:2:76998:141195,CCC(NCCCn1cnnn1)c1ccc(-c2sccc2C)cc1,PAVHAUHREIIWIB-UHFFFAOYSA-N
rxn:2:92382:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)Nc1cn[nH]c1,OPHQNDZQBVENDX-UHFFFAOYSA-N
rxn:2:96388:160916,C(#Cc1nccs1)CCNC1CCN(c2ccc3sccc3c2)CC1,AUVCKMRMMWRIPB-UHFFFAOYSA-N
rxn:2:121431:70192,Cc1ccc(OCCC(C)NCC(C)c2ncc[nH]2)c(C)c1,MJDDSGGXSLRABM-UHFFFAOYSA-N
rxn:1:41918:11753,NCC(O)c1cn(-c2ccc(Cl)cc2I)nn1,YMXAAEBYUWPGPC-UHFFFAOYSA-N
rxn:2:136171:129363,CSc1nc2cc(C(C)NCC#Cc3ccc4[nH]cnc4c3)ccc2s1,GKVXIMAABLTRGJ-UHFFFAOYSA-N
rxn:2:97410:107408,CCCCO[C@H]1CC[C@H](NC(C)c2ccc(-c3ccsc3)s2)CC1,WJDBFMMYIYSTEZ-DNLFPKPLSA-N
rxn:2:141238:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCC(C)Sc3nnc[nH]3)ccc1-2,IHHBJAOWDYKXKL-UHFFFAOYSA-N
rxn:2:127524:104330,Cc1nc(C#CCNC(C)c2ccc(-c3cc[nH]c3)cc2C)c[nH]1,ZKCJLUYGVFSYMG-UHFFFAOYSA-N
rxn:2:77387:156549,CCC(NCCc1ncco1)c1ccc2cc(C)ccc2c1,RBJXYPHAPUOTDQ-UHFFFAOYSA-N
rxn:2:167169:152324,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccc3[nH]ncc3c2)cc1,NRORFZJMYYXJPJ-UHFFFAOYSA-N
rxn:2:108667:76379,CC(NCCOc1ccc(-c2cccs2)nn1)c1ccc(-c2cscn2)cc1,GFDBNRFELMFTTA-UHFFFAOYSA-N
rxn:2:139123:126659,Cc1ccc2sc(C(C)NCC#Cc3ccc4ocnc4c3)cc2c1,RJQKTIDPHPXEOO-UHFFFAOYSA-N
rxn:2:108320:142192,Cc1ncc(C#CCCNC(C)c2ccc(-c3cccs3)cn2)cn1,WBJKSIIOQPEGJM-UHFFFAOYSA-N
rxn:2:132002:139570,COc1cccc2c(C(C)NC3CC(C4CCN(C)CC4)C3)c[nH]c12,CLSCADCUFBUALY-UHFFFAOYSA-N
rxn:2:68805:70192,CCCc1[nH]ncc1NC(C)CCOc1ccc(C)cc1C,LPMRZDKNOYYEJX-UHFFFAOYSA-N
rxn:2:109670:70812,Cc1sccc1C#CCNC1CCC(c2ccccc2)CC1,BQXCOYQLXUBNCB-UHFFFAOYSA-N
rxn:2:112020:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3ccc4[nH]nnc4c3)cc2)c1,WZFYFSZYTPUSLW-UHFFFAOYSA-N
rxn:2:133991:161103,CC(NCCCOc1cccnc1)c1ccc2c(c1)Cc1ccccc1-2,QOYCDMLERWCOMB-UHFFFAOYSA-N
rxn:2:132350:171231,CCOc1cc(C)c(-c2csc(C(C)NCC3CC3COC)c2)cc1C,SFRRVMPEJWTDHZ-UHFFFAOYSA-N
rxn:2:142757:107408,CC(NCC1CC1c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(-c2ccsc2)s1,OJRYVILZNNUSDU-UHFFFAOYSA-N
rxn:2:120365:153414,Cc1cc(-c2ccccc2)ccc1C(C)NCCC#Cc1ccoc1,ZDSMRCKEFYAQOU-UHFFFAOYSA-N
rxn:2:104755:154103,CSc1cnoc1NC(c1cc[nH]c1)c1ccc2ccccc2c1,FAVWZFLMWALQQL-UHFFFAOYSA-N
rxn:2:105485:90126,CC(NCc1ccc(N2CCC(N(C)C)CC2)cc1)c1ccc(-c2ccsc2)cn1,SKUUNKVIQADUHZ-UHFFFAOYSA-N
rxn:2:76681:88330,CCc1cc(C)ccc1NC(CCN(C)C)c1cccc(C)c1,TUTUMQQGQVHVDM-UHFFFAOYSA-N
rxn:2:74177:170060,Cc1cc(-c2ccc(CCC(C)NCCCSc3nnc(C)s3)cc2)cs1,GFMFQOPPDXLIBL-UHFFFAOYSA-N
rxn:2:97517:122855,CC(NCCCc1ccc(N2CCN(C)CC2)cc1)c1ccc(-c2cccs2)s1,NVBOXQMKUKHWHB-UHFFFAOYSA-N
rxn:2:81212:170858,Cc1csc(-c2ccc(C(C)Nc3nnn[n-]3)cc2C)c1,KWXUATGEIUHDRL-UHFFFAOYSA-N
rxn:2:141397:171550,CNC1CCC(c2ccc(-c3cccc4c3OCO4)cc2)CC1,UIZVVVDTLKEDQJ-UHFFFAOYSA-N
rxn:2:112208:127220,Cc1ccc(-c2cc(C(C)NCCSCc3cnccn3)cs2)s1,TULCRFOUGNFEDN-UHFFFAOYSA-N
rxn:2:82584:110041,CC(NCC#Cc1ccc2[nH]ccc2c1)c1csc(-c2ccsc2)c1,GHBXLEDMJSRUGQ-UHFFFAOYSA-N
rxn:2:83925:107408,CC(NCc1ccc(N2CCC(N(C)C)CC2)nc1)c1ccc(-c2ccsc2)s1,HEQFXQLXIWLYJU-UHFFFAOYSA-N
rxn:2:99518:146828,CSCC(Nc1cnnn1C1CC1)c1ccc2cc(C)ccc2c1,KXFRVQDGBQOVGX-UHFFFAOYSA-N
rxn:2:100097:109025,Cc1csc(-c2cc(C(C)NC3CCC(CCN(C)C)CC3)cs2)c1,OMHHKCLMYSTOBV-UHFFFAOYSA-N
rxn:2:167169:168581,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cccc3ncoc23)cc1,VBWCKEJGIQPSMG-UHFFFAOYSA-N
rxn:2:81877:169412,Cc1csc(-c2ccc(CCC(C)NCC3CC3c3cn(C)cn3)cc2)c1,MTFUMAAVCVBTPB-UHFFFAOYSA-N
rxn:2:108564:156984,CCOCCn1cc(C#CCNC(C)c2ccc(-c3cc(OC)cs3)cc2C)cn1,JIXKDRDIPLTCRN-UHFFFAOYSA-N
rxn:2:137368:67686,COc1cccc(C(CN2CC2)NC2CC(F)C2)c1,ALNRZODFOTVDQP-UHFFFAOYSA-N
rxn:1:45225:31214,Clc1ccc(Br)c(C#CCCn2cc(CBr)nn2)c1,GWNISRGHKKMRSM-UHFFFAOYSA-N
rxn:2:106136:112875,CCn1cc(C#CCCNC2CC(C#Cc3cccs3)C2)cn1,QYMIEGQFFOGRNP-UHFFFAOYSA-N
rxn:2:97900:161575,CC(Nc1n[nH]c2[nH]ncc12)c1ccc2cccc3c2c1CC3,IWDVFVPGXWYQLP-UHFFFAOYSA-N
rxn:2:81212:130267,CC(Nc1nnn[n-]1)c1ccc2ccsc2c1,PURNJLVSFODOPX-UHFFFAOYSA-N
rxn:2:112208:96010,CC(NCCSCc1cnccn1)c1ccc(-c2ccsc2)cc1,AWDIMNQQOHNCBG-UHFFFAOYSA-N
rxn:2:73576:172618,CC(NCCCc1c[nH][nH]c1=O)c1cc(-c2cc3sccc3s2)cs1,DIYROKRAKUNZRG-UHFFFAOYSA-N
rxn:2:79495:169851,CSc1ccc(-c2ccc(C(C)NCCC3CC3c3cn(C)cn3)cc2)cc1,OLXZGVJQWYNYOT-UHFFFAOYSA-N
rxn:2:106136:90126,CCn1cc(C#CCCNC(C)c2ccc(-c3ccsc3)cn2)cn1,DXGJKWQKRCBGQH-UHFFFAOYSA-N
rxn:2:132998:108959,CC(NCc1ccc(-c2ccc(=O)[nH]c2)cc1)c1ccc(-c2cccs2)cc1,OCVMYJHSJPBSMR-UHFFFAOYSA-N
rxn:2:123413:139886,CC(NCCC#Cc1ccc(S(=O)(=O)F)cc1)c1ccc(-c2ccco2)cc1,DZXVPNGIDSLOAP-UHFFFAOYSA-N
rxn:2:127751:140099,CCC(Nc1cccnc1)c1ccc(-c2cccs2)s1,MQDMXASOKITBRD-UHFFFAOYSA-N
rxn:2:79809:173095,CC(NCC#Cc1csc(N2CCOCC2)n1)c1ccc2sc3ccccc3c2c1,ZWDLAECHKDZVRX-UHFFFAOYSA-N
rxn:2:136231:108959,COCc1cc(N2CCC(NC(C)c3ccc(-c4cccs4)cc3)C2)ncn1,SKSOZRCOMIRGQC-UHFFFAOYSA-N
rxn:2:141397:137452,CNC(CCc1ccc(C)cc1C)C1CCCCC1,PMCZYJQHJQHQEL-UHFFFAOYSA-N
rxn:2:78571:122855,CC(Nc1cc[nH]c(=S)c1)c1ccc(-c2cccs2)s1,ZZKXIMHZVNRHJN-UHFFFAOYSA-N
rxn:2:113575:122855,CC(NCCOc1ccc(-c2ncncn2)cc1)c1ccc(-c2cccs2)s1,MWBZRYMEEVDICT-UHFFFAOYSA-N
rxn:2:103277:169412,Cc1csc(-c2ccc(CCC(C)NC[C@H]3C[C@@H](CS(C)(=O)=O)C3)cc2)c1,AMPMNAAWMBTYJN-CTXDPNEZSA-N
rxn:2:135668:172618,CC(NCCOc1cc[nH]n1)c1cc(-c2cc3sccc3s2)cs1,RAKYZGMOVJNOAN-UHFFFAOYSA-N
rxn:2:117485:70192,Cc1ccc(OCCC(C)NC2(c3nn[nH]n3)CCCC2)c(C)c1,RKEYOYAUSLFKAS-UHFFFAOYSA-N
rxn:2:85140:173095,CC(CNC(C)c1ccc2sc3ccccc3c2c1)COC1CCN(C)CC1,UFULHSCMXVTQEE-UHFFFAOYSA-N
rxn:2:167169:77187,O=c1[nH]c2ccc(C#CCNC3CC(c4ccc5c(c4)CCO5)C3)cc2s1,UBRWDKUHHDPLSK-UHFFFAOYSA-N
rxn:2:139357:70192,Cc1ccc(OCCC(C)Nc2nnco2)c(C)c1,BXGMYSWQVICVJJ-UHFFFAOYSA-N
rxn:2:114168:148477,CC(NCCCOc1cc[nH]n1)c1ccc2c(c1)CCc1ccccc1-2,HNTJUNOFWLIVAS-UHFFFAOYSA-N
rxn:2:158858:96010,CC(NCC1CC1c1ccc2[nH]c(=O)oc2c1)c1ccc(-c2ccsc2)cc1,ISXYEGXCLVEOHL-UHFFFAOYSA-N
rxn:2:114592:169412,Cc1csc(-c2ccc(CCC(C)NCCCSc3nccn3C)cc2)c1,YGQQVLAJUSLNFT-UHFFFAOYSA-N
rxn:2:112728:120822,Cc1ccc(-c2ccc(C(C)NCCc3cc[nH]n3)cc2)s1,PSCNINVWRFJMPN-UHFFFAOYSA-N
rxn:2:135134:139570,COc1cccc2c(C(C)NC3CCCC(C4CCCC4)C3)c[nH]c12,AARAJSJSGSQJEE-UHFFFAOYSA-N
rxn:2:109788:102419,CCCC(Cc1ccc2ccccc2c1)NCCCc1cn(C)cn1,ISROAHNGKONIIW-UHFFFAOYSA-N
rxn:2:141397:173009,CNC1CCC(c2ccc(-c3coc4ccccc34)cc2)CC1,PFYOJRDLDALFIT-UHFFFAOYSA-N
rxn:2:130209:148477,CC(NCCC#Cc1cnccn1)c1ccc2c(c1)CCc1ccccc1-2,JPVGJLYRLRXGJN-UHFFFAOYSA-N
rxn:2:72789:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3cnc4cn[nH]c4c3)cc2)cs1,OTZBCBRRYOMABP-UHFFFAOYSA-N
rxn:2:78656:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3nnc(-c4c[nH]cn4)o3)cc2)cs1,ALHFIXJPXRXKFP-UHFFFAOYSA-N
rxn:2:127261:108959,Cc1nc[nH]c1CSCCNC(C)c1ccc(-c2cccs2)cc1,YUXYPQPWESWYHH-UHFFFAOYSA-N
rxn:2:101515:126659,CCOc1cc(NC(C)c2cc3cc(C)ccc3s2)cnn1,HXLZMERISZNUPV-UHFFFAOYSA-N
rxn:2:135134:79735,COc1ccc(C(C)NC2CCCC(C3CCCC3)C2)c(C)c1C,UJYOEMKMZFRORS-UHFFFAOYSA-N
rxn:2:125198:171669,Cc1cc(-c2ccc(C(C)NCCn3ncnn3)cc2)c(C)s1,WUVKCJDBWFFHFA-UHFFFAOYSA-N
rxn:2:92937:130974,C(#Cc1ccc2ccsc2c1)CCNC1CC(COc2cnccn2)C1,QCNSBSJUWMXIOR-UHFFFAOYSA-N
rxn:2:73576:165512,Cc1ccsc1-c1ccc2c(c1)CCC2NCCCc1c[nH][nH]c1=O,AMDNQYARXGIASS-UHFFFAOYSA-N
rxn:2:128000:127220,Cc1ccc(-c2cc(C(C)NCCCC3N=N3)cs2)s1,CEQZPIOCELTIQI-UHFFFAOYSA-N
rxn:2:67187:143660,CC(Nc1cncnc1)c1cc2c(ccc3ccccc32)o1,YBKVGAZXEKRHNI-UHFFFAOYSA-N
rxn:2:70238:96010,CC(NCCC#Cc1ccncc1)c1ccc(-c2ccsc2)cc1,MFMFYQKAAWMMIK-UHFFFAOYSA-N
rxn:2:91798:94410,CC(NCC#Cc1ccc(OCCN(C)C)cc1)c1cnc(-c2ccsc2)s1,PMYACFPKRBGBIB-UHFFFAOYSA-N
rxn:2:167169:160916,O=c1[nH]c2ccc(C#CCNC3CCN(c4ccc5sccc5c4)CC3)cc2s1,PVHQBOJBJIWHRK-UHFFFAOYSA-N
rxn:2:167169:164106,Cc1cccc(-c2cnc(C(C)NCC#Cc3ccc4[nH]c(=O)sc4c3)s2)c1,YSBOFUYXCTYJGZ-UHFFFAOYSA-N
rxn:2:86811:127220,Cc1ccc(-c2cc(C(C)NC3CCC(CC4CCN(C)C4)CC3)cs2)s1,BSFBAPKZWNAOHZ-UHFFFAOYSA-N
rxn:2:116427:70192,Cc1ccc(OCCC(C)NC2CCc3ocnc32)c(C)c1,ZIBYIYOMMOJZLS-UHFFFAOYSA-N
rxn:2:112442:108959,CC(N[C@H]1CC[C@H](COc2cnn(C)c2)CC1)c1ccc(-c2cccs2)cc1,GZFCVSYTIFEPIK-KKUOWXDVSA-N
rxn:2:73235:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3nnc(-c4ncc[nH]4)o3)cc2)cs1,PIQQCGWOEDXEFB-UHFFFAOYSA-N
rxn:2:141397:169117,CNC1CCSc2ccc(-c3coc4ccccc34)cc21,UWEOUFFWDFXBKY-UHFFFAOYSA-N
rxn:2:131953:171492,CC(NCCCCc1nnn[nH]1)c1ccc(-c2cc3ccccc3s2)cc1,WXUYSHPHINGLLE-UHFFFAOYSA-N
rxn:2:141397:169305,CNC(C)c1ccc(-c2cc3ccccc3o2)cc1C,UXWCBMJOQVIJJZ-UHFFFAOYSA-N
rxn:2:91764:173089,COc1ccc(C#CCNC(C)c2ccc(-c3cc4sccc4s3)cc2C)nc1,KRARRMFELMZKDO-UHFFFAOYSA-N
rxn:2:127356:173095,Cc1nn[nH]c1NC(C)c1ccc2sc3ccccc3c2c1,SFZMLXPPWUSGGD-UHFFFAOYSA-N
rxn:2:79242:169851,CSc1ccc(-c2ccc(C(C)N[C@H]3CC[C@H](Oc4cnccn4)CC3)cc2)cc1,HPDMHXHQLOBPFY-LUVPUJNKSA-N
rxn:2:81194:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3ccc4[nH]c(=O)[nH]c4c3)cc2)cs1,BHPYUVRJVHLMMI-UHFFFAOYSA-N
rxn:2:120097:107408,Cc1cnc(N2CC(NC(C)c3ccc(-c4ccsc4)s3)C2)nc1,JSIOOGPLIJBQBC-UHFFFAOYSA-N
rxn:2:110768:169300,Cc1ccc(-c2ccc3oc(C(C)NCC#Cc4cnc5[nH]ncc5c4)cc3c2)s1,KECKBGNWKDOPBF-UHFFFAOYSA-N
rxn:2:90771:169851,CSc1ccc(-c2ccc(C(C)NC3CCN(c4ncc[nH]c4=O)CC3)cc2)cc1,ODNPJTSEWKVIGB-UHFFFAOYSA-N
rxn:2:76009:110041,COc1cc(C#CCNC(C)c2csc(-c3ccsc3)c2)ncn1,UTTLLWKFSBMWDG-UHFFFAOYSA-N
rxn:2:75341:108959,CC(NCCOc1ccncc1)c1ccc(-c2cccs2)cc1,KGAKWBXBLVFOFQ-UHFFFAOYSA-N
rxn:2:68618:87151,Cc1cccc(C2CC(NCC#Cc3ccc(-c4c[nH]cn4)cc3)C2)c1C,LCWJUTTUXBOYHX-UHFFFAOYSA-N
rxn:2:81953:170892,CC(NCCCCc1ccc2[nH]nnc2c1)c1ccc(-c2cc3sccc3s2)s1,DQMJHYVKOOWQJL-UHFFFAOYSA-N
rxn:2:88621:96010,CC(NCCc1noc(-c2ccccn2)n1)c1ccc(-c2ccsc2)cc1,VMDBGUJLNPHRFW-UHFFFAOYSA-N
rxn:2:130209:170411,CCSc1ccc(-c2ccc(C(C)NCCC#Cc3cnccn3)c(C)c2)cc1,RHVXHKADKXLMFC-UHFFFAOYSA-N
rxn:2:133978:170892,CC(NCCCc1nc[nH]n1)c1ccc(-c2cc3sccc3s2)s1,FGENHPOBLPLXEB-UHFFFAOYSA-N
rxn:2:77472:116515,CC(NCCc1ccc2nc[nH]c2c1)c1ccc(-c2cccs2)nc1,MOEMKVKZISQGNC-UHFFFAOYSA-N
rxn:2:87637:96010,CC(NCC1CC1c1cnc2nc[nH]c2c1)c1ccc(-c2ccsc2)cc1,WSVDFNZYDTVMON-UHFFFAOYSA-N
rxn:2:148180:85686,CC(NCC1CC1c1ccc2[nH]c(=O)sc2c1)c1csc(-c2cccs2)c1,QQXRMCLUTYENBP-UHFFFAOYSA-N
rxn:2:149481:85686,CC(NCC1CC1c1cnc2[nH]c(=O)oc2c1)c1csc(-c2cccs2)c1,NKUOIBDDCISTGG-UHFFFAOYSA-N
rxn:2:117046:78538,CC#CCNC(C)c1ccc(-c2sccc2C)cc1,ZLAXPUMKMWCQNY-UHFFFAOYSA-N
rxn:2:134698:138958,CC(NC1CC(C#Cc2cn[nH]c2)C1)c1ccc(-c2cccs2)cc1,QPQBHGBTJUULIM-UHFFFAOYSA-N
rxn:2:127204:169412,Cc1csc(-c2ccc(CCC(C)NCCCOS(C)(=O)=O)cc2)c1,ITTJCECBPPWPBW-UHFFFAOYSA-N
rxn:2:156072:152446,CC(NCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(C#Cc2ccccc2)cc1,AACOKHWLDXXLCI-UHFFFAOYSA-N
rxn:2:141544:173095,CC(NCCSc1ncn[nH]1)c1ccc2sc3ccccc3c2c1,BROZAGRGQMJEDK-UHFFFAOYSA-N
rxn:2:73951:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)Nc1cn[nH]c(=O)c1,DMMDAQRGGUZLER-UHFFFAOYSA-N
rxn:2:105568:172618,CC(NCC#Cc1cn(C)cn1)c1cc(-c2cc3sccc3s2)cs1,WVNSVGGJJGOFSQ-UHFFFAOYSA-N
rxn:2:141819:169856,CC(NCCc1n[nH]c(=O)o1)c1cccc2c1sc1ccccc12,RZSKJCPJUPKNOS-UHFFFAOYSA-N
rxn:2:112154:129487,CC(NCC#Cc1ccc(S(C)(=O)=O)cc1)c1ccc2scnc2c1,DZKIUGDRBLYJDB-UHFFFAOYSA-N
rxn:2:108320:129880,Cc1ncc(C#CCCNC(C)c2ccc(-c3cccs3)nc2C)cn1,OPXJKLFLRABOOC-UHFFFAOYSA-N
rxn:2:90691:170235,COCCOc1cc(NC(C)c2cc3cc(-c4cccc(C)c4)ccc3o2)ccn1,AEKGCWCCRPKHON-UHFFFAOYSA-N
rxn:2:91097:120822,Cc1ccc(-c2ccc(C(C)NCCCc3cncnc3)cc2)s1,FIUHZSQYJDXGEJ-UHFFFAOYSA-N
rxn:2:115581:142183,CSCC(Cc1ccc(C)c(C)c1)NCC=N,YPBIMGGQABBZOS-UHFFFAOYSA-N
rxn:2:134839:170892,CC(NCCc1cccnn1)c1ccc(-c2cc3sccc3s2)s1,WUYMMIGFGFIBEX-UHFFFAOYSA-N
rxn:2:95342:108959,CC(NCCCC1CCN(C)C1)c1ccc(-c2cccs2)cc1,KMFDUBHTRAJQFW-UHFFFAOYSA-N
rxn:2:73576:173016,CC(NCCCc1c[nH][nH]c1=O)c1cc(-c2ccc(-c3ccco3)cc2)cs1,HLXHLKDYTIRRFD-UHFFFAOYSA-N
rxn:2:139218:139886,CC(NCC#Cc1cnn(-c2cnccn2)c1)c1ccc(-c2ccco2)cc1,IYRGEKBLBGVWEN-UHFFFAOYSA-N
rxn:2:72789:170858,Cc1csc(-c2ccc(C(C)NCCCCc3cnc4cn[nH]c4c3)cc2C)c1,VYWOCNPTOXLROF-UHFFFAOYSA-N
rxn:2:167169:70812,O=c1[nH]c2ccc(C#CCNC3CCC(c4ccccc4)CC3)cc2s1,JBLCCVYLQLGKIW-UHFFFAOYSA-N
rxn:2:113426:172265,CC(NCc1ccc(-c2ccc(=O)[nH]n2)cc1)c1ccc(-c2ccc(-c3cccs3)s2)s1,QYZWFXLLEYKKJO-UHFFFAOYSA-N
rxn:2:97024:120822,Cc1ccc(-c2ccc(C(C)NCCC#Cc3cscn3)cc2)s1,GWSXQJJBYXXDEX-UHFFFAOYSA-N
rxn:2:73100:170060,COCCOc1cc(NC(C)CCc2ccc(-c3csc(C)c3)cc2)n[nH]1,MIPKJHAWLKCRQT-UHFFFAOYSA-N
rxn:2:67391:169412,Cc1csc(-c2ccc(CCC(C)NC3CC(CS(C)(=N)=O)C3)cc2)c1,CLFJWGHYANEQDF-UHFFFAOYSA-N
rxn:2:108320:173016,Cc1ncc(C#CCCNC(C)c2cc(-c3ccc(-c4ccco4)cc3)cs2)cn1,WCNQMDYKTJPVLH-UHFFFAOYSA-N
rxn:2:115801:96010,CC(NCCOc1ccc(-c2ccco2)nn1)c1ccc(-c2ccsc2)cc1,TWXXRQPHPUHVCQ-UHFFFAOYSA-N
rxn:2:139678:169305,COCC(F)CNC(C)c1ccc(-c2cc3ccccc3o2)cc1C,WDDZVQFUFOGHDY-UHFFFAOYSA-N
rxn:2:113171:92488,CC(NCCCc1cnn[nH]1)c1cc(-c2ccsc2)cs1,VSIQSTTUFCVNBP-UHFFFAOYSA-N
rxn:2:120709:68807,Cc1ccsc1-c1ccc(C(C)NCc2ccc(OCC3CCCCN3C)cc2)s1,QDDJRHGNQDMQJM-UHFFFAOYSA-N
rxn:2:75557:171152,CC(NCCCc1nnn[nH]1)c1ccc(-c2ccc3c(c2)oc2ccccc23)s1,VZPMIENMBDUBST-UHFFFAOYSA-N
rxn:2:66304:124273,CSc1ncc(C#CCCNC(C)c2ccc(-c3cnsc3)s2)cn1,PCIALWSXMFNQPI-UHFFFAOYSA-N
rxn:2:73576:146533,CC(NCCCc1c[nH][nH]c1=O)c1ccc(-c2ccc3cnoc3c2)s1,BCYVBPKMBJNWRU-UHFFFAOYSA-N
rxn:2:66158:120181,CCOc1cccc(C#CCNC(C)c2ccc(-c3ccsn3)cc2)c1,IXCGTUOTAVYUOR-UHFFFAOYSA-N
rxn:2:125962:159239,CC(N[C@H](C)c1ccc(-c2cccs2)cc1)c1ccc2[nH]c(=O)sc2c1,FRIOXRBJQLMDTM-KWCCSABGSA-N
rxn:2:73951:78077,CCC(Nc1cn[nH]c(=O)c1)c1ccc(-c2cscc2C)s1,YBAFLIHAFFGHSB-UHFFFAOYSA-N
rxn:2:121028:108959,CC(NCCSc1cnccn1)c1ccc(-c2cccs2)cc1,SETFUTJONBXJQG-UHFFFAOYSA-N
rxn:2:78656:141988,Cc1cc(-c2ccc(C(C)NCCCc3nnc(-c4c[nH]cn4)o3)s2)cs1,HBXMCYVAHBOIMC-UHFFFAOYSA-N
rxn:2:117485:91315,CCC(CCc1ccc(C)c(C)c1)NC1(c2nn[nH]n2)CCCC1,LIZQASDEMSZOSR-UHFFFAOYSA-N
rxn:2:124198:69998,CC(NCCC#Cc1ccsc1)c1ccc(-c2ccoc2)cc1,DGUHIBOVFFQFIX-UHFFFAOYSA-N
rxn:2:97941:81342,COCC(Nc1ccc2c(C)csc2c1)c1cnn[nH]1,YWASWPXOOYDBKE-UHFFFAOYSA-N
rxn:2:100353:108959,Cc1nn(C)cc1C#CCNC(C)c1ccc(-c2cccs2)cc1,AYCDRBTTZQWQSH-UHFFFAOYSA-N
rxn:2:119266:92488,CC(NCCCCc1cnc2[nH]ccc2c1)c1cc(-c2ccsc2)cs1,AUXSWHWNMQCQIQ-UHFFFAOYSA-N
rxn:2:131603:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCC1CC1c1cc[nH]c1,XFJZQPJTDTWNNM-UHFFFAOYSA-N
rxn:2:67009:96010,COc1ccnc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)n1,ZMNLPCAPXVAVDI-UHFFFAOYSA-N
rxn:2:102636:159800,COCCOC1CCC(NC(C)c2ccc(-c3ccc(OC)cc3)cc2)CC1,MHYABUDYXXJHQE-UHFFFAOYSA-N
rxn:2:142622:138605,CC(CCc1cnc2ccccc2c1)NCCC#Cc1ccc2[nH]c(=O)sc2c1,QRSOYFCNCUCYJG-UHFFFAOYSA-N
rxn:2:118048:169412,COCC1CCC(NC(C)CCc2ccc(-c3cc(C)cs3)cc2)CO1,XIUXKINRHSICTP-UHFFFAOYSA-N
rxn:2:98729:148477,CC(NCCCCc1nccs1)c1ccc2c(c1)CCc1ccccc1-2,HDJJGWSCWSLBNB-UHFFFAOYSA-N
rxn:1:60111:28813,NCCC1CC1c1ccc(-c2cn(I)nn2)cc1,UKWBMHOUNVAVOJ-UHFFFAOYSA-N
rxn:2:82049:107408,CC(NC[C@H]1CC[C@H](CN(C)C)CC1)c1ccc(-c2ccsc2)s1,IDLSUWPOGNAQPL-ATBAIXNZSA-N
rxn:2:134961:170060,Cc1cc(-c2ccc(CCC(C)NCC(C)Oc3nccnc3C)cc2)cs1,YFFFXHLDBOPSDY-UHFFFAOYSA-N
rxn:2:167169:143047,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cccc3ccoc23)cn1,NFWCUSXGUXCTQG-UHFFFAOYSA-N
rxn:1:41805:25795,CC(N)c1cn(-c2ccc(Cl)cc2Br)nn1,FWGRHHWKJGKESH-UHFFFAOYSA-N
rxn:2:167260:170060,Cc1cc(-c2ccc(CCC(C)NCCC3CC3c3ccc4[nH]c(=O)[nH]c4c3)cc2)cs1,JIPXOVBWCACTRX-UHFFFAOYSA-N
rxn:2:160401:172076,O=c1[nH]c2ncc(C#CCCNC3CCC(c4nc(-c5cccs5)cs4)CC3)cc2o1,HLIIDRXNAKRRIG-UHFFFAOYSA-N
rxn:2:79587:96010,CC(NCCc1nc(-c2ccncc2)no1)c1ccc(-c2ccsc2)cc1,LXJPNLWNTXSTAD-UHFFFAOYSA-N
rxn:2:114945:68807,Cc1ccsc1-c1ccc(C(C)NC2CCN(c3nccs3)CC2)s1,IHGKTPDWKHYEDH-UHFFFAOYSA-N
rxn:2:116231:169412,Cc1csc(-c2ccc(CCC(C)NCCC#Cc3[nH]cnc3C)cc2)c1,FMNKEIRLPVKUFO-UHFFFAOYSA-N
rxn:2:124693:68807,Cc1ccsc1-c1ccc(C(C)NCC(C)c2nnn[nH]2)s1,QGKQYMKOPSVTPH-UHFFFAOYSA-N
rxn:2:96712:159800,COc1ccc(-c2ccc(C(C)NCCCc3ccsn3)cc2)cc1,ODLRSEFFJSARRQ-UHFFFAOYSA-N
rxn:2:138933:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCOc3cn[nH]c3)c2)cc1C,GHIGWETWHFSURH-UHFFFAOYSA-N
rxn:2:108320:114519,Cc1ncc(C#CCCNC(C)c2ccc(-c3ccsc3C)cc2)cn1,RXFMLPGUJYCMEK-UHFFFAOYSA-N
rxn:2:97900:88359,CCC(Nc1n[nH]c2[nH]ncc12)c1ccc(-c2cscc2C)cc1,LQDKXWLHTDSMOH-UHFFFAOYSA-N
rxn:2:112802:169851,CSc1ccc(-c2ccc(C(C)NC3CCC(Oc4ccnc(C)n4)CC3)cc2)cc1,AFXCIUYJSIUNCR-UHFFFAOYSA-N
rxn:2:87637:169340,CC(NCC1CC1c1cnc2nc[nH]c2c1)c1ccc(-c2cc3ccccc3s2)s1,WJADXRYONXCGCG-UHFFFAOYSA-N
rxn:2:109745:173016,CC(NCCOc1ccncn1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,VRSPMRGDUSSFRB-UHFFFAOYSA-N
rxn:2:114934:122855,CC(NCCC#Cc1cnc2nc[nH]c2c1)c1ccc(-c2cccs2)s1,BVLZKAFBYLBWOX-UHFFFAOYSA-N
rxn:2:102870:142183,CCc1cc2cc(NCC=N)ccc2s1,FISWLFXQLVSDDC-UHFFFAOYSA-N
rxn:2:110097:83338,COc1ccc(CCC(C)Nc2ncn[nH]2)c(C)c1,FEFWSGGBOGPNIK-UHFFFAOYSA-N
rxn:2:68496:108959,CC(NCc1cc(-c2ccsc2)n[nH]1)c1ccc(-c2cccs2)cc1,DBIMVFIQZFRUAW-UHFFFAOYSA-N
rxn:2:113063:101264,Cc1ccc(OCC(C)NC2CCCC(CC(C)C)C2)c(C)c1,MTAKTYPOGWQHLQ-UHFFFAOYSA-N
rxn:2:76625:172076,C(#Cc1cnc[nH]1)CCNC1CCC(c2nc(-c3cccs3)cs2)CC1,NKRNSSJGZWKPSE-UHFFFAOYSA-N
rxn:2:135961:169666,CCCc1n[nH]c(CCNC(C)c2cc(-c3ccc(-c4cccnc4)cc3)cs2)n1,IWKXKBATZLTBOX-UHFFFAOYSA-N
rxn:2:73713:92488,CC(NCCCCc1cnc2cc[nH]c2c1)c1cc(-c2ccsc2)cs1,NLHXGFFIOXEWCF-UHFFFAOYSA-N
rxn:2:75313:173095,Cc1ncc(CCCCNC(C)c2ccc3sc4ccccc4c3c2)cn1,UJYOLHPRHMJOGM-UHFFFAOYSA-N
rxn:2:96519:126659,Cc1ccc2sc(C(C)NCC#Cc3cccc4[nH]cnc34)cc2c1,BEWQZXILNFNWOY-UHFFFAOYSA-N
rxn:2:117743:96010,Cc1ccnc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)n1,ABIYXZOVEFBWJF-UHFFFAOYSA-N
rxn:2:166241:91511,Cc1ccc(-c2cc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c(=O)c4c3)cs2)o1,ZXHCTSVAQRWPCU-UHFFFAOYSA-N
rxn:2:100083:127220,Cc1ncc(CCCNC(C)c2csc(-c3ccc(C)s3)c2)cn1,MKRLSTKMDDGVKZ-UHFFFAOYSA-N
rxn:2:136171:141889,Cc1cccc(C2CCC(NCC#Cc3ccc4[nH]cnc4c3)CC2)c1,CJXINMWOZFZXAC-UHFFFAOYSA-N
rxn:2:116191:84855,Cc1cc(C#CCCNC2CC3c4ccccc4CCC23)cs1,UUMMUFYVANQQNH-UHFFFAOYSA-N
rxn:2:99080:141988,CCn1cc(C#CCNC(C)c2ccc(-c3csc(C)c3)s2)cn1,ZAZQZQRRKBFBQN-UHFFFAOYSA-N
rxn:2:123785:171392,c1ccc2c(C3CCC(NCCCCc4ccc5[nH]cnc5c4)CC3)csc2c1,RGMSHUSECVGFRV-UHFFFAOYSA-N
rxn:1:41711:38410,NC1(c2cn(-c3ccc(I)cc3Br)nn2)CC1,KCGQITFMVQAQIA-UHFFFAOYSA-N
rxn:2:136946:170892,CCc1cc(C#CCNC(C)c2ccc(-c3cc4sccc4s3)s2)ncn1,JZPDMHRVHKOEEA-UHFFFAOYSA-N
rxn:2:102889:68807,CCCN1CCC(CCNC(C)c2ccc(-c3sccc3C)s2)CC1,NHSBQQRTTXIYER-UHFFFAOYSA-N