Added 36 molecules from epoch 21212 for P31645

P31645_molecules.csv

@@ -59414,3 +59414,39 @@ rxn:2:86224:94314,COCCC1CC1CNC(C)c1csc2c(C)cccc12,OHYXHBYKELATQQ-UHFFFAOYSA-N
 rxn:2:93099:120822,Cc1ccc(-c2ccc(C(C)NC(C)c3ccn[nH]3)cc2)s1,ZGCZFZKENFSXMX-UHFFFAOYSA-N
 rxn:2:97063:90126,CC(NCCSc1cnn[nH]1)c1ccc(-c2ccsc2)cn1,HWTWVLDYCZASCV-UHFFFAOYSA-N
 rxn:2:97941:74901,Cc1csc2cc(NC(c3cccnc3)C3CC3)ccc12,FALWNHOPLSLAJS-UHFFFAOYSA-N
+rxn:2:102551:107408,CC(NC1CCN(c2ccncn2)C1)c1ccc(-c2ccsc2)s1,GDMUGLMLYMMJRX-UHFFFAOYSA-N
+rxn:2:105080:151170,CC(NCCc1cc[nH]c1)c1ccc2c(c1)[nH]c1ccccc12,SKUSWBQWWAXCRG-UHFFFAOYSA-N
+rxn:2:105459:96010,CCc1nc(CCNC(C)c2ccc(-c3ccsc3)cc2)c[nH]1,PELQZXCUFBYBQM-UHFFFAOYSA-N
+rxn:2:106146:107408,CCC1CCC(CNC(C)c2ccc(-c3ccsc3)s2)CC1,VGVCZKNUGXNBNP-UHFFFAOYSA-N
+rxn:2:109175:129654,CCSCC#CCNC(C)c1ccc(-c2ccsc2)nc1C,KQCOIQZJLLWUCI-UHFFFAOYSA-N
+rxn:2:109646:96010,Cc1nnc([C@H]2C[C@@H](NC(C)c3ccc(-c4ccsc4)cc3)C2)o1,IEWVDGUTGBKVNV-LBUFLUNBSA-N
+rxn:2:118218:110041,CC(NCCCc1cnc2cc[nH]c2c1)c1csc(-c2ccsc2)c1,VZJPELPDSXVFIF-UHFFFAOYSA-N
+rxn:2:119399:107408,CC(NCC1CC1C1CCCC1)c1ccc(-c2ccsc2)s1,MIJPXUACTOGISS-UHFFFAOYSA-N
+rxn:2:120387:115202,COc1cccc2c1CCC(N[C@@H](C)Cc1ccoc1)C2,AWMICFOWTCRCSP-KNVGNIICSA-N
+rxn:2:120661:122855,CCc1nocc1NC(C)c1ccc(-c2cccs2)s1,MIYAYSHDVBDMIS-UHFFFAOYSA-N
+rxn:2:122351:167642,Cc1ccc(C(CN2CCCC2)Nc2c[nH]nn2)c2ccccc12,SMFGHJBULYGTHB-UHFFFAOYSA-N
+rxn:2:123459:141988,Cc1cc(-c2ccc(C(C)NCCCc3ccc4[nH]cnc4c3)s2)cs1,YIJOCZCADYYSFS-UHFFFAOYSA-N
+rxn:2:125138:108959,CC(NCc1ccc2[nH]ncc2c1)c1ccc(-c2cccs2)cc1,ZTSKBBVJENAKLJ-UHFFFAOYSA-N
+rxn:2:125751:107408,CC(NCC#Cc1cscn1)c1ccc(-c2ccsc2)s1,SQPKWGVSMPOUQX-UHFFFAOYSA-N
+rxn:2:125968:92488,CC(NCCCCc1cnn(C)c1)c1cc(-c2ccsc2)cs1,KOLXLMTUDVUUEJ-UHFFFAOYSA-N
+rxn:2:126608:96010,CC(NC(c1ncon1)C1CC1)c1ccc(-c2ccsc2)cc1,ZVNOBPMERJHDES-UHFFFAOYSA-N
+rxn:2:128445:166167,CC(Cc1cc[nH]n1)NC1CCc2c(ccc3ccccc23)C1,PWZRVGCEDNDUNH-UHFFFAOYSA-N
+rxn:2:129242:96010,CC(N[C@H]1C[C@@H](c2ncc[nH]2)C1)c1ccc(-c2ccsc2)cc1,RYHNVDFVSDUOBG-CNUNBNKRSA-N
+rxn:2:130477:82538,CC(NCCCc1ccc[nH]1)c1cc(-c2ccccc2)cs1,BGGXWPNDBXQCQC-UHFFFAOYSA-N
+rxn:2:133307:149508,Cc1ccccc1-c1ccc(C(C)NCCc2cn[nH]n2)cc1,JSDDSVHKFWIBIL-UHFFFAOYSA-N
+rxn:2:133906:173095,CC(NCc1ccc(=O)[nH]n1)c1ccc2sc3ccccc3c2c1,TYGZXOTXLSQUJI-UHFFFAOYSA-N
+rxn:2:137922:92488,CCOc1ncc(C#CCNC(C)c2cc(-c3ccsc3)cs2)cn1,QLPXCVQUQVFPHA-UHFFFAOYSA-N
+rxn:2:140105:169594,CC[C@@H]1C[C@H]1CNC(C)c1ccc2c(ccc3ccccc32)c1,QQSRGPLBFIKUMC-ZHXBYJNYSA-N
+rxn:2:140546:97346,O=c1nc(CNC2CCC(c3ccsc3)CC2)[nH]o1,SKMGSKBYINFBHY-UHFFFAOYSA-N
+rxn:2:141497:173135,c1ccc2c(-c3ccc4c(c3)OCC4NCc3cnon3)csc2c1,ILZLYUUNULCYRQ-UHFFFAOYSA-N
+rxn:2:156072:85686,CC(NCC#Cc1ccc2[nH]c(=O)oc2c1)c1csc(-c2cccs2)c1,HIOHTEGAWHVVBH-UHFFFAOYSA-N
+rxn:2:66894:172671,CC(NCc1cc(=O)[nH]o1)c1cc(-c2coc3ccccc23)cs1,GIJHTUHEIYBSEA-UHFFFAOYSA-N
+rxn:2:67298:96010,CC(NC1CN(c2cccnn2)C1)c1ccc(-c2ccsc2)cc1,KOEQCMONPUWRRT-UHFFFAOYSA-N
+rxn:2:71646:161575,CC(N[C@H]1C[C@H](F)C1)c1ccc2cccc3c2c1CC3,KEGQBDBCTCMMJQ-APRSNBHNSA-N
+rxn:2:77173:171392,C[C@@H](Cc1nnn[nH]1)NC1CCC(c2csc3ccccc23)CC1,WUSMHPHDBPYTGC-HSBZDZAISA-N
+rxn:2:77407:142183,COc1ccc(C(NCC=N)C(C)C)c(C)c1,SOHVOFQXJWZKFS-UHFFFAOYSA-N
+rxn:2:92736:94314,Cc1cccc2c(C(C)N[C@@H](C)c3nc[nH]n3)csc12,FEFQKPVWURBJEH-DTIOYNMSSA-N
+rxn:2:94256:123403,Cc1ccc2cc(C(C)NC[C@@H]3C[C@@H]3C(C)C)sc2c1,ZKTWKZHWNADCMZ-PXWJKWRZSA-N
+rxn:2:95804:144172,Cc1ccc2cc(C(C)NC3CCc4c[nH]cc4C3)ccc2n1,DDEAGXPDKZHTLL-UHFFFAOYSA-N
+rxn:2:98212:94314,Cc1cccc2c(C(C)N[C@@H](C)Cn3cnnn3)csc12,LYABPISAIQWGKN-PXYINDEMSA-N
+rxn:2:98899:170892,CC(NCCCn1ccnn1)c1ccc(-c2cc3sccc3s2)s1,PDPCMNNAHNLFII-UHFFFAOYSA-N