Added 44 molecules from epoch 22049 for P23975

P23975_molecules.csv

@@ -38638,3 +38638,47 @@ rxn:5:198084:223306:229317,Fc1ccc(-c2ncc(-c3ccc4c(c3)CNCC4)s2)s1,BVDQPHIRBXSSFH-
 rxn:5:198085:223312:229206,CCc1cc(-c2cnc(-c3ccc(C4CNC4)cc3)s2)cs1,HMHBDFJKZZDHKF-UHFFFAOYSA-N
 rxn:5:198230:223311:229338,Cc1cc(-c2ccns2)ncc1-c1cccc(C2CNC2)c1,MCPDXFOKBCATOX-UHFFFAOYSA-N
 rxn:5:198230:223398:229332,CNCc1ccc(-c2cnc(-c3ccoc3)cc2C)cc1,PKERQGITABNCOZ-UHFFFAOYSA-N
+rxn:5:176755:223421:229344,CCOCc1cc(-c2cocn2)ccc1-c1ccc(C(C)NC)s1,NSDAPMNXSJEZRC-UHFFFAOYSA-N
+rxn:5:177971:229308:228692,Cc1cc(-c2ccc(-c3ccc(CN(C)C)s3)c(OCC3CCCC3)c2)on1,KZJBWZXKSGIXFT-UHFFFAOYSA-N
+rxn:5:178711:229334:227893,C#CCc1cc(-c2cnoc2)ccc1-c1cccc(CN(C)C)c1,MCLZCDSHPZDMLN-UHFFFAOYSA-N
+rxn:5:178983:223199:229334,CCOc1cc(-c2cnoc2)ccc1-c1cccc(C2CCNC2)c1,WFUDXGKZIAKMED-UHFFFAOYSA-N
+rxn:5:178983:223400:229317,CCOc1cc(-c2ccc(F)s2)ccc1-c1cccc(CNC)c1,KYPMLTUMGXPNMS-UHFFFAOYSA-N
+rxn:5:181280:223307:229294,CCc1cc(-c2coc(C)c2)ccc1-c1ccc2c(c1)CCNC2,WNVWVPRWAMEKCX-UHFFFAOYSA-N
+rxn:5:181280:223400:229344,CCc1cc(-c2cocn2)ccc1-c1cccc(CNC)c1,DZIYZWOBTHXWSB-UHFFFAOYSA-N
+rxn:5:181497:223312:229344,c1nc(-c2ccc(-c3ccc(-c4ccc(C5CNC5)cc4)o3)cc2)co1,WDOFFMXAQXKAGJ-UHFFFAOYSA-N
+rxn:5:182442:223400:229132,CNCc1cccc(-c2ccc(-c3ccc(F)c(F)c3)cc2)c1,PZOGWABAOLRBQK-UHFFFAOYSA-N
+rxn:5:182499:229286:228980,C#Cc1cccc(-c2ccc(C)c(-c3ccn(C)c3)c2)c1,PVGLROQAUDZBDK-UHFFFAOYSA-N
+rxn:5:182500:223311:229090,CC(=O)c1cc(-c2ccc(-c3cccc(C4CNC4)c3)c(C)c2)cs1,FSXFXRCXJVEZAP-UHFFFAOYSA-N
+rxn:5:182500:229317:223146,Cc1cc(-c2cccc(C3CNCCO3)c2)ccc1-c1ccc(F)s1,XUXIJWALLVCLER-UHFFFAOYSA-N
+rxn:5:189244:229230:227545,CCOc1ccc(F)c(-c2ccc(-c3cc(C#N)cs3)cc2CCN(C)C)c1F,VPUOUEDYHKOJCN-UHFFFAOYSA-N
+rxn:5:189249:228535:229076,CCN(C)Cc1ccc(-c2sc(C#N)cc2C)cc1-c1coc2ccccc12,GLHUSEIOLODKPJ-UHFFFAOYSA-N
+rxn:5:191339:223199:229293,Cc1cc(-c2ccc(-c3cccc(C4CCNC4)c3)c(CC#N)c2)cs1,FYBSZCPEGBSKGE-UHFFFAOYSA-N
+rxn:5:191694:229230:228517,CC#Cc1ccccc1-c1cc(CON)ccc1-c1cc(C#N)cs1,DVWOLGDVGJEKHE-UHFFFAOYSA-N
+rxn:5:192488:227331:229230,CC(C)Oc1cccc(F)c1-c1cc(-c2cc(C#N)cs2)ccc1CN(C)C,JTEULBJDGAMRIW-UHFFFAOYSA-N
+rxn:5:192488:228552:228573,CCOc1cccc(-c2cc(-c3ccc(C#N)cc3C)ccc2CN(C)C)c1,BRNXZONSCXTCFM-UHFFFAOYSA-N
+rxn:5:192488:229287:229226,Cc1ccsc1-c1cc(-c2ccc(C#N)s2)ccc1CN(C)C,POBOYTRZBNSFCD-UHFFFAOYSA-N
+rxn:5:192490:229076:227939,COC(C)c1ccccc1-c1cc(-c2sc(C#N)cc2C)ccc1CN(C)C,WITPKWVETPMMLK-UHFFFAOYSA-N
+rxn:5:192492:227130:229294,Cc1cc(-c2cc(CN(C)C)ccc2-c2ccc(-c3ccoc3)cc2)co1,IPLXRLBROUTWFQ-UHFFFAOYSA-N
+rxn:5:192492:228518:228664,CC#Cc1ccc(-c2ccc(CN(C)C)cc2-c2ccc3scnc3c2)cc1,NYPJLCRSLTUIGI-UHFFFAOYSA-N
+rxn:5:192492:229086:228826,CC(=O)c1ccc(-c2ccc(CN(C)C)cc2-c2cc(C)c(F)cc2F)s1,HUOUCWOEKPFQTF-UHFFFAOYSA-N
+rxn:5:192492:229086:228988,CC(=O)c1ccc(-c2ccc(CN(C)C)cc2-c2ccc(C)c(C)c2)s1,GKBPIYFCTVRLRH-UHFFFAOYSA-N
+rxn:5:192492:229226:228990,CCCc1ccc(-c2cc(CN(C)C)ccc2-c2ccc(C#N)s2)s1,WFUDMDYQXHHHEW-UHFFFAOYSA-N
+rxn:5:192713:227056:229076,COc1cccc(C2CC2)c1-c1cc(-c2sc(C#N)cc2C)ccc1CN1CCC1,FODAOJOLFMAOKC-UHFFFAOYSA-N
+rxn:5:192714:228698:228982,C#Cc1ccc(-c2cc(CN3CCC3)ccc2-c2ccc(C(=O)CC)s2)cc1,YORJSQKRTKTPFT-UHFFFAOYSA-N
+rxn:5:193681:228744:229331,CN1CCC(Oc2cc(-c3ccc(F)c(C#N)c3)ccc2-c2cccs2)CC1,GVNWIVFXMUQMAQ-UHFFFAOYSA-N
+rxn:5:193681:229271:223464,COc1cc(-c2ccc(-c3cc[nH]c3)c(OC3CCN(C)CC3)c2)sn1,GORDRIKNIABWMZ-UHFFFAOYSA-N
+rxn:5:193681:229320:229294,Cc1cc(-c2ccc(-c3cc(F)cs3)cc2OC2CCN(C)CC2)co1,SFXZGLDPZITINI-UHFFFAOYSA-N
+rxn:5:193681:229341:229216,CN1CCC(Oc2cc(-c3ccon3)ccc2-c2ccccc2F)CC1,UPVRESGPZCBKFX-UHFFFAOYSA-N
+rxn:5:193681:229343:229235,COc1ccsc1-c1ccc(-c2ccsn2)cc1OC1CCN(C)CC1,UURZTBIFOFRULT-UHFFFAOYSA-N
+rxn:5:193681:229346:228407,COc1ccc(F)c(F)c1-c1ccc(-c2cnon2)cc1OC1CCN(C)CC1,ONIFEKHUXHJMAN-UHFFFAOYSA-N
+rxn:5:193681:229346:229317,CN1CCC(Oc2cc(-c3cnon3)ccc2-c2ccc(F)s2)CC1,LUINMNYOPKXQCO-UHFFFAOYSA-N
+rxn:5:194934:223199:229317,C#Cc1nc(-c2ccc(F)s2)ccc1-c1cccc(C2CCNC2)c1,NWHHTROCZFXYNX-UHFFFAOYSA-N
+rxn:5:194942:223421:229008,CNC(C)c1ccc(-c2cc(C#N)ccc2-c2ccc(CF)cc2)s1,HPBVZXGDJCTIPX-UHFFFAOYSA-N
+rxn:5:195308:229330:223360,CNCc1cccc(-c2ccc(-c3ccsc3)nc2OC)c1F,SAOJRQNFCTVJTN-UHFFFAOYSA-N
+rxn:5:195316:223311:229291,COc1nc(-c2cc(C)cs2)ccc1-c1cccc(C2CNC2)c1,RLZFWDWRMOWJDB-UHFFFAOYSA-N
+rxn:5:195525:223199:229330,CCc1cc(-c2ccsc2)ncc1-c1cccc(C2CCNC2)c1,XSUZYIVXLWNZEX-UHFFFAOYSA-N
+rxn:5:195525:223398:229330,CCc1cc(-c2ccsc2)ncc1-c1ccc(CNC)cc1,BJFCOWHOSUSQMQ-UHFFFAOYSA-N
+rxn:5:198084:223312:229054,COCc1cc(-c2ncc(-c3ccc(C4CNC4)cc3)s2)cs1,DGRPKGAUIZXZAK-UHFFFAOYSA-N
+rxn:5:198087:223199:228980,C#Cc1cccc(-c2nc(-c3cccc(C4CCNC4)c3)cs2)c1,PULXYCFGOWMZAB-UHFFFAOYSA-N
+rxn:5:198120:223421:229217,CNC(C)c1ccc(-c2ccc(-c3ccc(F)cc3)nc2)s1,OVVHWMHCVQFAJJ-UHFFFAOYSA-N
+rxn:5:198230:228695:229320,Cc1cc(-c2cc(F)cs2)ncc1-c1csc(CN(C)C)c1,QFMNKSFWWOIIES-UHFFFAOYSA-N