Added 33 molecules from epoch 21676 for P23977

P23977_molecules.csv

@@ -43044,3 +43044,36 @@ rxn:2:77560:169810,COc1ccc2oc(-c3ccc(C(C)Nc4cnoc4)c(C)c3)cc2c1,QIRDAWUFEZLMLF-UH
 rxn:2:87625:170813,CCC(NCCN=S(C)(C)=O)c1ccc(-c2cc3cc(OC)ccc3o2)cc1,QMFMQHDBGGPFNU-UHFFFAOYSA-N
 rxn:2:89509:170060,Cc1cc(-c2ccc(CCC(C)Nc3cncc(=O)[nH]3)cc2)cs1,ZLUUKJAZEYYNQW-UHFFFAOYSA-N
 rxn:2:95370:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3ccc(S(=O)(=O)F)cc3)cc2)c1,PEDZWPXNRQCYEY-UHFFFAOYSA-N
+rxn:1:41805:3819,C[C@@H](N)c1cn(-c2ccc(Cl)cc2Br)nn1,FWGRHHWKJGKESH-ZCFIWIBFSA-N
+rxn:1:43756:28813,NCCC1CC1c1ccc(-c2cn(-c3ccc(I)cc3F)nn2)cc1,RTYSTYYLKCRYBW-UHFFFAOYSA-N
+rxn:2:102094:142183,CC(Cc1cc2ccccc2s1)NCC=N,FGRPVLSZTBSBHQ-UHFFFAOYSA-N
+rxn:2:102230:171231,CCOc1cc(C)c(-c2csc(C(C)NC(COC)c3cnn[nH]3)c2)cc1C,NSPGIZSTMFFGQW-UHFFFAOYSA-N
+rxn:2:110352:170999,CCNC(C)c1ccc(-c2cc3ccccc3s2)cc1OC,GCKXMZNSXALWGF-UHFFFAOYSA-N
+rxn:2:116191:109382,Cc1cc(C#CCCNC2CCC(c3nccs3)CC2)cs1,USFYXSCVUHYXLJ-UHFFFAOYSA-N
+rxn:2:116427:170235,Cc1cccc(-c2ccc3oc(C(C)NC4CCc5ocnc54)cc3c2)c1,IUEDGCUTLYLJBM-UHFFFAOYSA-N
+rxn:2:120985:169412,Cc1csc(-c2ccc(CCC(C)NC3CCN(c4cc(=O)[nH]cn4)CC3)cc2)c1,ISVWRGZWYHZYTM-UHFFFAOYSA-N
+rxn:2:122723:113826,CCCOc1ccc(C(C)NC2CCCC(S(=O)(=O)C(C)C)C2)cc1C,FPVTZWJUMAQNRO-UHFFFAOYSA-N
+rxn:2:124198:88532,Cn1cc(C#CC2CC(NCCC#Cc3ccsc3)C2)cn1,LLJNHNKRSOTPFL-UHFFFAOYSA-N
+rxn:2:131506:170892,CC(NCCc1ccno1)c1ccc(-c2cc3sccc3s2)s1,IFLLILIATYGGSS-UHFFFAOYSA-N
+rxn:2:137960:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3ccc4[nH]ncc4c3)cc2)cs1,HUGHACBQVAJDDX-UHFFFAOYSA-N
+rxn:2:141397:150431,CNC(Cc1ccncc1)c1ccc2ccccc2c1,XAZTYRZLGLRQQK-UHFFFAOYSA-N
+rxn:2:141397:97264,CNC1CC(C#Cc2ccccc2)C1,PDWVWJIRAWJOOM-UHFFFAOYSA-N
+rxn:2:150747:170060,Cc1cc(-c2ccc(CCC(C)NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)cc2)cs1,IZSIGVCQNAFWPD-UHFFFAOYSA-N
+rxn:2:150990:142183,Cc1n[nH]nc1C(Cc1ccc2[nH]ccc2c1)NCC=N,PLDPYIVNYNEMCR-UHFFFAOYSA-N
+rxn:2:167169:139886,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccco2)cc1,QGKOQPFQKZDQLH-UHFFFAOYSA-N
+rxn:2:171916:142183,N=CCN[C@@H](c1ccc2cc3ccccc3cc2c1)C1CC1,YEZQVMLEESAHKY-HXUWFJFHSA-N
+rxn:2:69022:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCCc3ncc[nH]3)c2)cc1C,KXNRLMSJSYYQSP-UHFFFAOYSA-N
+rxn:2:69232:112875,C(#CC1CC(NCCCc2ccoc2)C1)c1cccs1,IETSJTSOWOJIDE-UHFFFAOYSA-N
+rxn:2:70962:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC3c3cn[nH]c3C)cc2)cs1,KXGILEIPCLUBQG-UHFFFAOYSA-N
+rxn:2:76089:169412,Cc1csc(-c2ccc(CCC(C)NCCCCc3nccc(C)n3)cc2)c1,YOJRVDHYCFOILE-UHFFFAOYSA-N
+rxn:2:78560:170060,COc1cc(NC(C)CCc2ccc(-c3csc(C)c3)cc2)cnn1,LBPFSQVCGYPHIF-UHFFFAOYSA-N
+rxn:2:85823:170060,Cc1cc(-c2ccc(CCC(C)NCCCCn3cccn3)cc2)cs1,LCLXWKXZBXBAEK-UHFFFAOYSA-N
+rxn:2:88299:91582,Cc1ccc(C2CC(NCCC#Cc3ncc(C)s3)C2)cc1,XZKIUUXEXWKBDG-UHFFFAOYSA-N
+rxn:2:90327:169739,CCOc1ccc(-c2ccc(C(C)NCCCc3cnc[nH]3)c(C)c2)cc1C,MPVJPAXWKMZFLX-UHFFFAOYSA-N
+rxn:2:91447:170060,Cc1cc(-c2ccc(CCC(C)NCCCCN3CCC3)cc2)cs1,XVYWRTRTFYPARX-UHFFFAOYSA-N
+rxn:2:96388:170060,Cc1cc(-c2ccc(CCC(C)NCCC#Cc3nccs3)cc2)cs1,KRDMCFIIKIPQSR-UHFFFAOYSA-N
+rxn:2:97024:97346,C(#Cc1cscn1)CCNC1CCC(c2ccsc2)CC1,AXCJZCVESVXJEN-UHFFFAOYSA-N
+rxn:2:97063:107408,CC(NCCSc1cnn[nH]1)c1ccc(-c2ccsc2)s1,XPOGRXQCVRURBT-UHFFFAOYSA-N
+rxn:2:97145:142183,N=CCNCCCc1ccc2ccsc2c1,LMQVGOXFSJKQGZ-UHFFFAOYSA-N
+rxn:2:97543:88359,CCC(NCCc1nnn[nH]1)c1ccc(-c2cscc2C)cc1,HMOFGEKPCRWZBA-UHFFFAOYSA-N
+rxn:2:98544:142183,CC(C)(NCC=N)c1ccc2ccccc2c1,JUWNNPYYYQHFKF-UHFFFAOYSA-N