Added 32 molecules from epoch 19982 for P31645

P31645_molecules.csv

@@ -47772,3 +47772,35 @@ rxn:1:45612:22680,Cc1nn(-c2cncc(-c3cn(CCC=Cc4n[nH]c(N)c4C#N)nn3)c2)c(I)c1Cl,JLXO
 rxn:1:46193:22681,Cc1nn(-c2cncc(-c3cn(CCC=Cc4ccc5c(c4)CNCC5)nn3)c2)c(I)c1I,LLAUMYPRIMVGGS-UHFFFAOYSA-N
 rxn:1:48410:22679,Cc1nn(-c2cncc(-c3cn(CC(O)C(O)c4c[nH]c5ccc(C#N)cc45)nn3)c2)c(I)c1Br,RCGLRLJZDZMUMA-UHFFFAOYSA-N
 rxn:1:63818:30620,Cc1cccc([N+](=O)[O-])c1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,XLWHAEHPVXWQFT-UHFFFAOYSA-N
+rxn:1:40528:22681,Cc1nn(-c2cncc(-c3cn(CC=Cc4nc(C(F)(F)F)cs4)nn3)c2)c(I)c1I,AIPRVMMEWBNWSG-UHFFFAOYSA-N
+rxn:1:40806:685,Cc1ccc(F)c(C=O)c1C=CCn1cc(-c2c(C)n(-c3ccccc3)c3c(=O)n(Cc4ccccc4)cnc23)nn1,FAGVEWDEXBZPAR-UHFFFAOYSA-N
+rxn:1:40827:22677,CC(=O)c1ccc(C=CCn2cc(-c3cncc(-n4nc(C)c(I)c4Br)c3)nn2)c(C)c1,OXSHJQVYSHWRLM-UHFFFAOYSA-N
+rxn:1:40827:22681,CC(=O)c1ccc(C=CCn2cc(-c3cncc(-n4nc(C)c(I)c4I)c3)nn2)c(C)c1,PVUOYZJAYJDVEV-UHFFFAOYSA-N
+rxn:1:40849:22820,Cc1[nH]nc(C(F)(F)F)c1C=CCn1cc(-c2cncc(-n3nc(-c4ccccc4)c(Br)c3I)c2)nn1,FNEHGBKPAOURBD-UHFFFAOYSA-N
+rxn:1:40851:22700,CCc1nn(-c2cncc(-c3cn(CC=Cc4cc(SC#N)ccc4N)nn3)c2)c(I)c1Cl,XMBBEBQRURLLLQ-UHFFFAOYSA-N
+rxn:1:40851:23508,N#CSc1ccc(N)c(C=CCn2cc(-c3sc4nccc(-c5cccc([N+](=O)[O-])c5)c4c3N)nn2)c1,WWSBMAYQMXVMOJ-UHFFFAOYSA-N
+rxn:1:40899:22681,Cc1nn(-c2cncc(-c3cn(CC=Cc4cnccc4C(F)(F)F)nn3)c2)c(I)c1I,LSQIMNBPVBDSBI-UHFFFAOYSA-N
+rxn:1:41016:22681,COCc1cc(C)nc2sc(-c3ccc([N+](=O)[O-])o3)c(-n3cc(-c4cncc(-n5nc(C)c(I)c5I)c4)nn3)c12,NQWYPJNOMFSSBI-UHFFFAOYSA-N
+rxn:1:42975:20555,N#CSc1ccc(N)c(C#CCn2cc(-c3cnc(Cl)c(I)c3N)nn2)c1,HMHPHLRYROPJEH-UHFFFAOYSA-N
+rxn:1:42983:22685,Cc1nn(-c2cncc(-c3cn(CC#Cc4cc([N+](=O)[O-])cnc4Cl)nn3)c2)c(O)c1I,IJCMNUZCHZNAPB-UHFFFAOYSA-N
+rxn:1:43003:28997,Cc1cc([N+](=O)[O-])cnc1C#CCn1cc(-c2cc(F)c(-n3[se]c4nccnc4c3=O)c(F)c2)nn1,OXVXQJUBHMEZPA-UHFFFAOYSA-N
+rxn:1:43008:22681,Cc1nn(-c2cncc(-c3cn(CC#Cc4ccc(C(=O)NN)cc4)nn3)c2)c(I)c1I,UWQMLBBDBLKZQV-UHFFFAOYSA-N
+rxn:1:43034:22672,Cc1nn(-c2cncc(-c3cn(CC#Cc4ccc(N=C=S)c(Cl)c4)nn3)c2)c(Cl)c1Cl,RKKSNHWWNFBJPR-UHFFFAOYSA-N
+rxn:1:43034:22676,Cc1nn(-c2cncc(-c3cn(CC#Cc4ccc(N=C=S)c(Cl)c4)nn3)c2)c(Br)c1Cl,GJFKXFGILOTGEM-UHFFFAOYSA-N
+rxn:1:43103:22681,COc1cc(C#CCn2cc(-c3cncc(-n4nc(C)c(I)c4I)c3)nn2)c(Cl)cc1N,VHJVHJASBOSWRS-UHFFFAOYSA-N
+rxn:1:43109:22680,CC(=O)c1ccc(C#CCn2cc(-c3cncc(-n4nc(C)c(Cl)c4I)c3)nn2)c(N)c1,VKCIXVRLHNVAKO-UHFFFAOYSA-N
+rxn:1:43280:23538,Nc1ccc(C#CCn2cc(-c3oc4c(I)cncc4c3N)nn2)c(C(F)(F)F)c1,NLLJWZXCZZFBJC-UHFFFAOYSA-N
+rxn:1:43343:23567,Nc1nc(Cl)c(C#CCn2cc(-c3sc4c(I)cncc4c3N)nn2)cc1[N+](=O)[O-],RSLOLJXZYUJZGB-UHFFFAOYSA-N
+rxn:1:43343:23568,Nc1nc(Cl)c(C#CCn2cc(-c3sc4c(Cl)cncc4c3N)nn2)cc1[N+](=O)[O-],QZXZEGSFFUQJTG-UHFFFAOYSA-N
+rxn:1:43599:22679,Cc1nn(-c2cncc(-c3cn(CC#Cc4ccc5c(O)c(C(=O)O)cnc5c4)nn3)c2)c(I)c1Br,CBPWNDYSALVYBQ-UHFFFAOYSA-N
+rxn:1:44561:22681,Cc1nn(-c2cncc(-c3cn(CCC#Cc4cnc(N)c(C#N)c4)nn3)c2)c(I)c1I,PLIKFQCNFUIBMX-UHFFFAOYSA-N
+rxn:1:45612:22681,Cc1nn(-c2cncc(-c3cn(CCC=Cc4n[nH]c(N)c4C#N)nn3)c2)c(I)c1I,XSKXNFRRMFLUPM-UHFFFAOYSA-N
+rxn:1:45960:22679,CSc1ncc(C=CCCn2cc(-c3cncc(-n4nc(C)c(Br)c4I)c3)nn2)c(Cl)n1,YRGSJRFFSMJBQV-UHFFFAOYSA-N
+rxn:1:46257:22679,Cc1nn(-c2cncc(-c3cn(CCC=Cc4cccc(C(=O)O)c4C)nn3)c2)c(I)c1Br,MWLIPVLMINLPQV-UHFFFAOYSA-N
+rxn:1:46346:22679,Cc1nn(-c2cncc(-c3cn(CCC=Cc4cnc(Cl)cc4C(=O)O)nn3)c2)c(I)c1Br,QNPMSDCCYWYRDS-UHFFFAOYSA-N
+rxn:1:46628:22679,Cc1nn(-c2cncc(-c3cn(CCC=Cc4ccc([N+](=O)[O-])c5cnccc45)nn3)c2)c(I)c1Br,CDTGSVLPVNYJJI-UHFFFAOYSA-N
+rxn:1:48563:10289,Cc1cccc(-c2nc3scc(-c4cccs4)c3c(=O)n2Cc2cn(-c3nc4nnnn4c4sc5c(c34)CC(C)(C)N(C)C5)nn2)c1,NRNHPSOGDCYYCE-UHFFFAOYSA-N
+rxn:1:48563:685,Cc1c(-c2cn(-c3nc4nnnn4c4sc5c(c34)CC(C)(C)N(C)C5)nn2)c2ncn(Cc3ccccc3)c(=O)c2n1-c1ccccc1,AWEQPJVKBTXXDD-UHFFFAOYSA-N
+rxn:1:49122:22679,Cc1nn(-c2cncc(-c3cn(CCC(O)C(O)c4ccc5nccc(Cl)c5c4)nn3)c2)c(I)c1Br,GIYXWRNNJQOLQF-UHFFFAOYSA-N
+rxn:1:49129:22679,Cc1nn(-c2cncc(-c3cn(CCC(O)C(O)c4ccc(N)c5ccccc45)nn3)c2)c(I)c1Br,FJLXSMDOIRXEMS-UHFFFAOYSA-N
+rxn:1:50554:22679,Cc1nn(-c2cncc(-c3cn(CC4C(c5n[nH]c6ncnc(Cl)c56)C4(F)F)nn3)c2)c(I)c1Br,AJHUYUKEUJSTNR-UHFFFAOYSA-N