Added 37 molecules from epoch 21210 for P31645

P31645_molecules.csv

@@ -59341,3 +59341,40 @@ rxn:2:94771:167642,Cc1ccc(C(CN2CCCC2)Nn2cnnc2)c2ccccc12,BCBJGSYERMMENY-UHFFFAOYS
 rxn:2:94934:78538,COCCCONC(C)c1ccc(-c2sccc2C)cc1,QKPXNTUNKTYGQS-UHFFFAOYSA-N
 rxn:2:96741:169111,CC(NCc1cocn1)c1ccc2ccc3ccccc3c2c1,HPKNTSJTEGCMAO-UHFFFAOYSA-N
 rxn:2:98899:161103,CC(NCCCn1ccnn1)c1ccc2c(c1)Cc1ccccc1-2,OOYIXGRMNXKVNU-UHFFFAOYSA-N
+rxn:2:103296:153414,Cc1cc(-c2ccccc2)ccc1C(C)NCc1ncon1,JKPSRKCYCVAUSA-UHFFFAOYSA-N
+rxn:2:103818:108959,CC(NCCCc1cnc2[nH]ncc2c1)c1ccc(-c2cccs2)cc1,OFAGSENKCWRVIY-UHFFFAOYSA-N
+rxn:2:109788:120822,Cc1ccc(-c2ccc(C(C)NCCCc3cn(C)cn3)cc2)s1,BZUZAYHICHILTE-UHFFFAOYSA-N
+rxn:2:110352:112420,CCNC(CCOC)Cc1c(C)cc(C)cc1C,MNSNQYFKKCXJJV-UHFFFAOYSA-N
+rxn:2:111746:156709,Cc1ccc2sc(C(C)NCCCCc3cnccn3)c(C)c2c1,KXHHBUUAOWMOCH-UHFFFAOYSA-N
+rxn:2:113399:170892,CCC#CCCNC(C)c1ccc(-c2cc3sccc3s2)s1,FHEPWCJFGMIQHC-UHFFFAOYSA-N
+rxn:2:114191:161103,CC(NCCCCc1ccc[nH]1)c1ccc2c(c1)Cc1ccccc1-2,WXZHXLPZTNMKSB-UHFFFAOYSA-N
+rxn:2:116768:164477,Cc1cc(-c2cccc3c2OCC3)ccc1C(C)NCCC1CC1C,MXSNSCFKQALVOC-UHFFFAOYSA-N
+rxn:2:122334:142183,CCC(C)[C@H](NCC=N)c1ccc2ccccc2c1,AKWQBTBHTLDKFC-RUINGEJQSA-N
+rxn:2:125198:81152,CCC(Cc1ccc2ccccc2c1)NCCn1ncnn1,HPUJQYHFCZCVLQ-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:2:127163:66791,CO[C@H]1CC[C@H](NC(C)c2cc(-c3cc(C)cs3)cs2)CC1,LRVJJBHTDYHIRH-QBIRGWOPSA-N
+rxn:2:129549:120181,CC(NC[C@@H]1C[C@H]1C1CC1)c1ccc(-c2ccsn2)cc1,POTQOCNCBQAEEJ-XZNKJRRYSA-N
+rxn:2:130477:168545,CC(NCCCc1ccc[nH]1)c1ccc2c(c1)oc1ccccc12,RTFOCGZYYNWWTP-UHFFFAOYSA-N
+rxn:2:133978:148477,CC(NCCCc1nc[nH]n1)c1ccc2c(c1)CCc1ccccc1-2,MDIGSOBJJYHHIP-UHFFFAOYSA-N
+rxn:2:138447:173095,CC(Nc1nc2nonc2[nH]1)c1ccc2sc3ccccc3c2c1,TXXIAJPPSBFEGC-UHFFFAOYSA-N
+rxn:2:140546:171669,Cc1cc(-c2ccc(C(C)NCc3nc(=O)o[nH]3)cc2)c(C)s1,SBZXQBWWSQKSKF-UHFFFAOYSA-N
+rxn:2:141397:108755,CNC(CCc1ccc(C)c(C)c1)C1CCC1,QADCBWAVBVTUQD-UHFFFAOYSA-N
+rxn:2:141544:141195,CCC(NCCSc1ncn[nH]1)c1ccc(-c2sccc2C)cc1,GVMJPDMGWWDOML-UHFFFAOYSA-N
+rxn:2:68062:109025,Cc1csc(-c2cc(C(C)NCCC(C)(C)n3cncn3)cs2)c1,FWAUZDKZLDIEBW-UHFFFAOYSA-N
+rxn:2:69022:148477,CC(NCCCCc1ncc[nH]1)c1ccc2c(c1)CCc1ccccc1-2,NBIFKLOHHBGKAD-UHFFFAOYSA-N
+rxn:2:72890:76379,CC(NCCCCc1c[nH]cn1)c1ccc(-c2cscn2)cc1,CLSWIZHBVAPWSE-UHFFFAOYSA-N
+rxn:2:74168:122855,CC(NC1CC1c1c[nH]cn1)c1ccc(-c2cccs2)s1,DSHQZEOREURHOB-UHFFFAOYSA-N
+rxn:2:78560:156709,COc1cc(NC(C)c2sc3ccc(C)cc3c2C)cnn1,IPTJRLXBTJFGFO-UHFFFAOYSA-N
+rxn:2:85122:68807,Cc1ccsc1-c1ccc(C(C)NCCc2c[nH]nn2)s1,AIRJNFJZFMNSIC-UHFFFAOYSA-N
+rxn:2:86784:142183,N=CCNCC#Cc1cccc2ccsc12,IPCNQQUXDWJNNO-UHFFFAOYSA-N
+rxn:2:87202:122855,CC(NCCc1cn[nH]c1)c1ccc(-c2cccs2)s1,MODKQZHRLWCQNN-UHFFFAOYSA-N
+rxn:2:89006:96010,CC(NCCC#Cc1ccccn1)c1ccc(-c2ccsc2)cc1,DLMRKWRQBDWKHB-UHFFFAOYSA-N
+rxn:2:89869:96010,CC(NCCCC1CCOCC1)c1ccc(-c2ccsc2)cc1,CBJUYUXNIVZJOR-UHFFFAOYSA-N
+rxn:2:92434:170892,CC(C)CC(NC(C)c1ccc(-c2cc3sccc3s2)s1)c1nnn[nH]1,MOYBGUCWLFUHAB-UHFFFAOYSA-N
+rxn:2:92476:170892,CC(NC1CC1c1ccoc1)c1ccc(-c2cc3sccc3s2)s1,PLTJDKQRRJRFQG-UHFFFAOYSA-N
+rxn:2:94733:93947,Cc1cccc2c(CCC(C)NCCCc3ccco3)c[nH]c12,WEDYHMRNKXKMAD-UHFFFAOYSA-N
+rxn:2:94752:170892,CC(NCC(F)(F)c1cn[nH]c1)c1ccc(-c2cc3sccc3s2)s1,IFWTWBRMDOZXAV-UHFFFAOYSA-N
+rxn:2:95355:141988,Cc1cc(-c2ccc(C(C)NCCCc3c[nH]nc3C)s2)cs1,CMJYYFIMOZJXLC-UHFFFAOYSA-N
+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