Added 30 molecules from epoch 20096 for P31645

P31645_molecules.csv

@@ -50518,3 +50518,33 @@ rxn:1:47654:23508,Cc1nc2ccc(C(O)C(O)Cn3cc(-c4sc5nccc(-c6cccc([N+](=O)[O-])c6)c5c
 rxn:1:47994:22862,CCCc1nn(-c2cncc(-c3cn(CC(O)C(O)c4ccc(-c5c[nH]cn5)cc4)nn3)c2)c(I)c1I,QCDMWAZIWNMKIM-UHFFFAOYSA-N
 rxn:1:53100:22859,CCCc1cc(I)n(-c2cncc(-c3cn(CCC4CC4c4ccc5nc[nH]c(=O)c5c4)nn3)c2)n1,ZQWSOYLOBPVFJT-UHFFFAOYSA-N
 rxn:1:58011:22923,Brc1cnc2[nH]cc(CCCn3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5I)c4)nn3)c2c1,CWPOBGBBTUKTQI-UHFFFAOYSA-N
+rxn:1:40059:22741,Nc1ncc(C=CCn2cc(-c3cncc(-n4nc(C5CC5)c(I)c4I)c3)nn2)nc1N,VSOFBYBZXBPUBE-UHFFFAOYSA-N
+rxn:1:40119:22860,CCCc1nn(-c2cncc(-c3cn(CC=Cc4cnc(O)c(N)c4)nn3)c2)c(I)c1Br,UKOHLYFBFYERSM-UHFFFAOYSA-N
+rxn:1:40237:22911,Nc1nnc(Cl)cc1C=CCn1cc(-c2cncc(-n3nc(C4CNC4)c(I)c3N)c2)nn1,HFPVTLNWRKFMOX-UHFFFAOYSA-N
+rxn:1:40717:484,Nc1ncnc2[nH]nc(C=CCn3cc(-c4cccc(S(F)(F)(F)(F)F)c4)nn3)c12,IBWCWUDPXBSWSL-UHFFFAOYSA-N
+rxn:1:41622:22850,CCCc1nn(-c2cncc(-c3cn(CC=Cc4c[nH]c5nc(Cl)nc(Cl)c45)nn3)c2)c(N)c1I,MLKUARBSRVNYAN-UHFFFAOYSA-N
+rxn:1:41839:22923,Fc1ccc2[nH]cc(C=CCn3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5I)c4)nn3)c2c1,KNRYQZLLWXWLJD-UHFFFAOYSA-N
+rxn:1:41872:22861,CCCc1nn(-c2cncc(-c3cn(CC=Cc4c(N)ncnc4Cl)nn3)c2)c(I)c1Cl,CQVHGLHHDLTYLQ-UHFFFAOYSA-N
+rxn:1:41982:22921,Nc1cncc(C#CCn2cc(-c3cncc(-n4nc(C5CNC5)c(Br)c4I)c3)nn2)c1,ULYAUYVPPKAKOR-UHFFFAOYSA-N
+rxn:1:42231:22741,Nc1ccc(C#CCn2cc(-c3cncc(-n4nc(C5CC5)c(I)c4I)c3)nn2)cc1N,GYCYVUVWZHRSSB-UHFFFAOYSA-N
+rxn:1:42531:23508,Nc1c(-c2cn(CC#Cc3cc(F)c(F)cc3O)nn2)sc2nccc(-c3cccc([N+](=O)[O-])c3)c12,FHLSIEUAIDNYET-UHFFFAOYSA-N
+rxn:1:42796:22913,Clc1ncnc2[nH]nc(C#CCn3cc(-c4cncc(-n5nc(C6CNC6)c(Br)c5Cl)c4)nn3)c12,NQJAWCAZHHKFFD-UHFFFAOYSA-N
+rxn:1:42799:22922,Nc1nc2c(C#CCn3cc(-c4cncc(-n5nc(C6CNC6)c(Cl)c5I)c4)nn3)cccc2s1,XRWXUBXQEKMFIX-UHFFFAOYSA-N
+rxn:1:43390:22919,O=c1[nH]cnc2cc(C#CCn3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5Br)c4)nn3)ccc12,VMMCWJSZUFFAIZ-UHFFFAOYSA-N
+rxn:1:43427:22897,Nc1ncnc2ccc(C#CCn3cc(-c4cncc(-n5nc(C(F)(F)F)c(Br)c5Br)c4)nn3)cc12,LGWFHPISXREHOL-UHFFFAOYSA-N
+rxn:1:43671:22741,Nc1ccnc(Cl)c1C#CCn1cc(-c2cncc(-n3nc(C4CC4)c(I)c3I)c2)nn1,YYGWSWZSDSPOAH-UHFFFAOYSA-N
+rxn:1:44586:22915,Clc1c(I)c(C2CNC2)nn1-c1cncc(-c2cn(CCC#Cc3cnc4cc[nH]c4c3)nn2)c1,JQTNEGAXDWQUHY-UHFFFAOYSA-N
+rxn:1:44587:22913,Clc1c(Br)c(C2CNC2)nn1-c1cncc(-c2cn(CCC#Cc3cccc4cn[nH]c34)nn2)c1,LTZIVTUUIFDDIP-UHFFFAOYSA-N
+rxn:1:44663:22918,COc1cc2oc(=O)c(-n3cc(-c4cncc(-n5nc(C6CNC6)c(Cl)c5Br)c4)nn3)cc2cc1Cl,ZHTNUMVJWUTEKR-UHFFFAOYSA-N
+rxn:1:45279:23894,CC(F)(F)c1cc(Br)cc(-c2cn(CCC#Cc3c[nH]c4ncnc(N)c34)nn2)c1,DXOAQODRRMIHOI-UHFFFAOYSA-N
+rxn:1:45279:33667,Nc1ncnc2[nH]cc(C#CCCn3cc(COc4ccc(C=c5sc6nc7ccccc7n6c5=O)cc4I)nn3)c12,VYNXOPJXOGERMC-UHFFFAOYSA-N
+rxn:1:45372:33588,Cc1ccc(C(=O)Nc2ccc(-c3cn(CCC=Cc4c[nH]nc4N)nn3)nc2)cc1I,QFIAFSLKVKIILX-UHFFFAOYSA-N
+rxn:1:45613:23513,Nc1ncc(C=CCCn2cc(-c3sc4ncc(-c5ccc([N+](=O)[O-])cc5)cc4c3N)nn2)nc1N,JJJUNSRDUFWTDD-UHFFFAOYSA-N
+rxn:1:46131:22923,Ic1c(C2CNC2)nn(-c2cncc(-c3cn(CCC=Cc4cccc5[nH]ncc45)nn3)c2)c1I,MBJYWTCUZYIGST-UHFFFAOYSA-N
+rxn:1:46165:33588,Cc1ccc(C(=O)Nc2ccc(-c3cn(CCC=Cc4n[nH]c5nc[nH]c(=O)c45)nn3)nc2)cc1I,HUDXHRGPOJAWQT-UHFFFAOYSA-N
+rxn:1:47563:22720,CC(C)c1nn(-c2cncc(-c3cn(CC(O)C(O)c4ccc5[nH]ncc5c4)nn3)c2)c(I)c1Cl,GHEUDPRJXULACG-UHFFFAOYSA-N
+rxn:1:48007:22862,CCCc1nn(-c2cncc(-c3cn(CC(O)C(O)c4ccc5c(O)nncc5c4)nn3)c2)c(I)c1I,PUTPHKQZPUMBDE-UHFFFAOYSA-N
+rxn:1:49233:23508,Nc1c(-c2cn(C(=O)c3cc(C(=O)c4ccc(Cl)cc4Cl)c[nH]3)nn2)sc2nccc(-c3cccc([N+](=O)[O-])c3)c12,WVVQRBINZUVOPM-UHFFFAOYSA-N
+rxn:1:49285:23515,Nc1c(-c2cn(CCC(O)C(O)c3ccc4ncnc(Cl)c4c3)nn2)sc2ncc(-c3cccc([N+](=O)[O-])c3)cc12,XFRWIIFKBCFIHA-UHFFFAOYSA-N
+rxn:1:58471:22922,Oc1nncc2cc(CCCn3cc(-c4cncc(-n5nc(C6CNC6)c(Cl)c5I)c4)nn3)ccc12,IILJWCVVUYXTLA-UHFFFAOYSA-N
+rxn:1:58718:22879,Nc1n[nH]cc1CCCCn1cc(-c2cncc(-n3nc(C(F)F)c(I)c3Br)c2)nn1,KSIQAVBKEKIEKU-UHFFFAOYSA-N