Added 41 molecules from epoch 22112 to Q63380_molecules.csv

Q63380_molecules.csv

@@ -10737,3 +10737,44 @@ rxn:2:107115:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3ccccn3)cc2)cs1,PJWZWNQKGZXHFS-UHFF
 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