Added 36 molecules from epoch 21211 for P31645

P31645_molecules.csv

@@ -59378,3 +59378,39 @@ rxn:2:95355:141988,Cc1cc(-c2ccc(C(C)NCCCc3c[nH]nc3C)s2)cs1,CMJYYFIMOZJXLC-UHFFFA
 rxn:2:95387:108959,CC1CC2(C1)CC(CNC(C)c1ccc(-c3cccs3)cc1)C2,YLARAPWUEQQNMW-UHFFFAOYSA-N
 rxn:2:97650:78538,Cc1nnn(CCNC(C)c2ccc(-c3sccc3C)cc2)n1,CSLIARARWWOAGG-UHFFFAOYSA-N
 rxn:2:97858:153414,Cc1cc(-c2ccccc2)ccc1C(C)NCCc1cnc[nH]1,AJVNOSACOYZGNQ-UHFFFAOYSA-N
+rxn:2:104151:96010,CCc1noc(CCNC(C)c2ccc(-c3ccsc3)cc2)n1,NXINXHWZRUYYPP-UHFFFAOYSA-N
+rxn:2:105280:108959,CC(N[C@H]1[C@@H]2CCCCC[C@@H]21)c1ccc(-c2cccs2)cc1,BMMUAOSJEUSPJW-WUCCMUQHSA-N
+rxn:2:105835:83505,CSC1CCCC(NC(C)c2ccc(-c3csc(C)n3)cc2)C1,RWPYYPSSTWXPEX-UHFFFAOYSA-N
+rxn:2:106236:96010,Cc1nnsc1CNC(C)c1ccc(-c2ccsc2)cc1,UILRVRHBOOOKRV-UHFFFAOYSA-N
+rxn:2:107031:142183,CC(C)C(CNCC=N)c1ccc2c(c1)CCC2,LOAVAMFSUWSDQC-UHFFFAOYSA-N
+rxn:2:108581:141988,CCCCCCNC(C)c1ccc(-c2csc(C)c2)s1,YUOLDXCCCLDJFE-UHFFFAOYSA-N
+rxn:2:115554:107408,CSC1CCC(CNC(C)c2ccc(-c3ccsc3)s2)CC1,QIFAQESWWWLJHV-UHFFFAOYSA-N
+rxn:2:116055:142192,CC(NC[C@@H]1C[C@H]1C1CCC1)c1ccc(-c2cccs2)cn1,NLBFWAJPEHRULT-LMARGRMVSA-N
+rxn:2:116340:108959,COC[C@@H]1C[C@H]1CNC(C)c1ccc(-c2cccs2)cc1,YJEJVEKPTKXURD-LMARGRMVSA-N
+rxn:2:117254:169405,CCc1cc(-c2ccccc2)ccc1C(C)NCc1ncc[nH]1,FZXXCYHAVYDXCQ-UHFFFAOYSA-N
+rxn:2:120097:110041,Cc1cnc(N2CC(NC(C)c3csc(-c4ccsc4)c3)C2)nc1,LOINNGQVXSHWFO-UHFFFAOYSA-N
+rxn:2:120564:107408,CC(NCCCc1nnco1)c1ccc(-c2ccsc2)s1,KGIBVIFXYPFOCW-UHFFFAOYSA-N
+rxn:2:122468:173095,CC(NCCCCc1cscn1)c1ccc2sc3ccccc3c2c1,VHWQNQMQDXMHOX-UHFFFAOYSA-N
+rxn:2:122815:107408,Cc1nc2c(s1)CC(CNC(C)c1ccc(-c3ccsc3)s1)CC2,XWZZDPKPUNNNOB-UHFFFAOYSA-N
+rxn:2:124198:126848,C(#Cc1ccsc1)CCNC1CCCC(c2ccccc2)CC1,GZNPUCWXLGRKKF-UHFFFAOYSA-N
+rxn:2:130128:169197,CC(Nc1cnsc1)c1cccc2c1ccc1ccccc12,VGVZPIWDBHOLLN-UHFFFAOYSA-N
+rxn:2:130477:129654,Cc1nc(-c2ccsc2)ccc1C(C)NCCCc1ccc[nH]1,MMGYFDBLQIMWHI-UHFFFAOYSA-N
+rxn:2:132002:68923,CC(NC1CC(C2CCN(C)CC2)C1)c1cc2c(s1)CCC2,HRTQWOVQKJLGFI-UHFFFAOYSA-N
+rxn:2:136139:109025,Cc1csc(-c2cc(C(C)NCC#Cc3ccnc(C)n3)cs2)c1,JKCULDADDXJVFJ-UHFFFAOYSA-N
+rxn:2:138076:172618,CC(NCCc1ccon1)c1cc(-c2cc3sccc3s2)cs1,QJDZLXNBMHAWAH-UHFFFAOYSA-N
+rxn:2:138107:173095,Cc1nsc(C#CCNC(C)c2ccc3sc4ccccc4c3c2)n1,UIKRPGNRIPNXEJ-UHFFFAOYSA-N
+rxn:2:138447:159692,c1csc(-c2ccc3c(c2)CCC3Nc2nc3nonc3[nH]2)c1,SQCLSXZMFIXTRV-UHFFFAOYSA-N
+rxn:2:141819:171669,Cc1cc(-c2ccc(C(C)NCCc3n[nH]c(=O)o3)cc2)c(C)s1,PNARCWGYIYRBII-UHFFFAOYSA-N
+rxn:2:66894:164477,Cc1cc(-c2cccc3c2OCC3)ccc1C(C)NCc1cc(=O)[nH]o1,OWAIZOBLBMNBPM-UHFFFAOYSA-N
+rxn:2:67624:96010,CC(NC1CN(c2cnccn2)C1)c1ccc(-c2ccsc2)cc1,PUVOWORZBSIBCP-UHFFFAOYSA-N
+rxn:2:70973:123403,Cc1ccc2cc(C(C)NCC3CC3c3cnoc3)sc2c1,VVYWGUFTBHQOOT-UHFFFAOYSA-N
+rxn:2:74972:147033,CCc1nc(-c2ccccc2C)sc1C(C)NCc1nnn[nH]1,JHGAJTLNAYVSGK-UHFFFAOYSA-N
+rxn:2:80519:82123,CCC(NCCCc1c[nH]c(=S)[nH]1)C(C)Cc1ccc(C)cc1C,FRXLUQZZDLOBEP-UHFFFAOYSA-N
+rxn:2:81194:170892,CC(NCCCCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cc3sccc3s2)s1,LKEUHOLGKHGNLW-UHFFFAOYSA-N
+rxn:2:83604:83991,CCC(C)CC(Cc1cccc(C)c1)NCC1N=N1,YLJVOFUBERQUFS-UHFFFAOYSA-N
+rxn:2:84778:96010,CC(NCC1CC1C1CC1)c1ccc(-c2ccsc2)cc1,ZRWKOWJQXNCBGT-UHFFFAOYSA-N
+rxn:2:85064:172752,Cc1cc(-c2cccs2)cc(C)c1C(C)NCCc1n[nH]c(=S)[nH]1,ZERYEOKXVQJWQK-UHFFFAOYSA-N
+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