Added 32 molecules from epoch 20095 for P31645

P31645_molecules.csv

@@ -50486,3 +50486,35 @@ rxn:1:56964:22883,NCC1CC1c1ccccc1-n1cc(-c2cncc(-n3nc(C(F)F)c(I)c3I)c2)nn1,PWGRWF
 rxn:1:58006:22915,Nc1nc2c(CCCn3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5Cl)c4)nn3)cccc2s1,PYILDADSTHJWGL-UHFFFAOYSA-N
 rxn:1:58471:22919,Oc1nncc2cc(CCCn3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5Br)c4)nn3)ccc12,JBICZKWKZWCKSY-UHFFFAOYSA-N
 rxn:1:58718:22882,Nc1n[nH]cc1CCCCn1cc(-c2cncc(-n3nc(C(F)F)c(Cl)c3I)c2)nn1,ZXAMNTVQZPTVAQ-UHFFFAOYSA-N
+rxn:1:40235:22923,Nc1nc(Cl)ncc1C=CCn1cc(-c2cncc(-n3nc(C4CNC4)c(I)c3I)c2)nn1,XVCYRBNCBPQHCF-UHFFFAOYSA-N
+rxn:1:41301:35481,Cc1c(Cl)cc(F)cc1C(=O)Nc1ccc(-c2cn(CC=Cc3ccc4ncnc(N)c4c3)nn2)nc1,ANGHHYNKBWJQPV-UHFFFAOYSA-N
+rxn:1:41591:34846,Cc1c(F)cc(C(=O)Nc2cncc(-c3cn(CC=Cc4c[nH]c5ncnc(N)c45)nn3)c2)cc1Br,YTIVCAWJDHTKTM-UHFFFAOYSA-N
+rxn:1:41595:22915,Clc1c(I)c(C2CNC2)nn1-c1cncc(-c2cn(CC=Cc3c[nH]c4ncc(Br)cc34)nn2)c1,MJQRWDIHUBJOSM-UHFFFAOYSA-N
+rxn:1:41620:22919,Clc1ncnc2ccc(C=CCn3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5Br)c4)nn3)cc12,UITSHTLWGLXWKU-UHFFFAOYSA-N
+rxn:1:41620:22925,Oc1c(Br)c(C2CNC2)nn1-c1cncc(-c2cn(CC=Cc3ccc4ncnc(Cl)c4c3)nn2)c1,KVQMTBQDXIQMJZ-UHFFFAOYSA-N
+rxn:1:41622:22860,CCCc1nn(-c2cncc(-c3cn(CC=Cc4c[nH]c5nc(Cl)nc(Cl)c45)nn3)c2)c(I)c1Br,AKMDPNOYAOEWAZ-UHFFFAOYSA-N
+rxn:1:41998:22903,Oc1ncncc1C#CCn1cc(-c2cncc(-n3nc(C(F)(F)F)c(I)c3I)c2)nn1,GKPGQVPJJPKHQJ-UHFFFAOYSA-N
+rxn:1:42042:22883,O=Cc1cc(C#CCn2cc(-c3cncc(-n4nc(C(F)F)c(I)c4I)c3)nn2)c[nH]1,PTLVRJYPTAHEGM-UHFFFAOYSA-N
+rxn:1:42051:22856,CCCc1nn(-c2cncc(-c3cn(CC#Cc4c[nH]nc4C#N)nn3)c2)c(Br)c1Br,JCNAATXCNLXPLW-UHFFFAOYSA-N
+rxn:1:42206:22877,Cc1ncc(N)cc1C#CCn1cc(-c2cncc(-n3nc(C(F)F)c(Br)c3Br)c2)nn1,FNYWTJSKGADKFI-UHFFFAOYSA-N
+rxn:1:42360:22858,CCCc1nn(-c2cncc(-c3cn(CC#Cc4cnc(Cl)nc4N)nn3)c2)c(Br)c1I,TXQUWLFUQOQJHQ-UHFFFAOYSA-N
+rxn:1:42374:22923,NNc1cccc(C#CCn2cc(-c3cncc(-n4nc(C5CNC5)c(I)c4I)c3)nn2)n1,NLMLLZKDYHIAQZ-UHFFFAOYSA-N
+rxn:1:42734:22734,Cc1c(C#CCn2cc(-c3cncc(-n4nc(C5CC5)cc4Br)c3)nn2)cnc(N)c1N,UDEHJUMJLIXLRI-UHFFFAOYSA-N
+rxn:1:42801:22913,Nc1nc2ccc(C#CCn3cc(-c4cncc(-n5nc(C6CNC6)c(Br)c5Cl)c4)nn3)cc2s1,IWIAXNRMGJWUDF-UHFFFAOYSA-N
+rxn:1:43276:23569,Nc1cc(C(F)(F)F)ccc1C#CCn1cc(-c2sc3c(Br)cncc3c2N)nn1,GGQCRDGWDWIPRE-UHFFFAOYSA-N
+rxn:1:43338:23536,Nc1c(-c2cn(CC#Cc3ccc([N+](=O)[O-])cc3C=O)nn2)oc2c(Br)cncc12,MMVXQPOUNOWUFT-UHFFFAOYSA-N
+rxn:1:43390:22759,O=c1[nH]cnc2cc(C#CCn3cc(-c4cncc(-n5nc(C6CCC6)c(Br)c5I)c4)nn3)ccc12,YHERCVDMQSHEIT-UHFFFAOYSA-N
+rxn:1:43451:22917,Cc1nc(O)c2cc(C#CCn3cc(-c4cncc(-n5nc(C6CNC6)c(Br)c5Br)c4)nn3)ccc2n1,LPXVPBUJAFZKKN-UHFFFAOYSA-N
+rxn:1:43471:22870,Nc1c(I)c(C(F)F)nn1-c1cncc(-c2cn(CC#Cc3ccc4[nH]c(=O)oc(=O)c4c3)nn2)c1,JECAENJYFJRRLB-UHFFFAOYSA-N
+rxn:1:43713:22911,Nc1c(I)c(C2CNC2)nn1-c1cncc(-c2cn(CC#Cc3c[nH]c4ncc(Br)cc34)nn2)c1,YGCSWCJYWHXEBO-UHFFFAOYSA-N
+rxn:1:43741:22922,Clc1nc(Cl)c2c(C#CCn3cc(-c4cncc(-n5nc(C6CNC6)c(Cl)c5I)c4)nn3)c[nH]c2n1,VNKMFPIIRBVVQM-UHFFFAOYSA-N
+rxn:1:43785:22919,Brc1c(I)c(C2CNC2)nn1-c1cncc(-c2cn(CCC#Cc3cn[nH]c3)nn2)c1,ZUBGNGNFBTZMRW-UHFFFAOYSA-N
+rxn:1:43925:23513,Cn1ncc(C#CCCn2cc(-c3sc4ncc(-c5ccc([N+](=O)[O-])cc5)cc4c3N)nn2)c1N,LUUHCABSWJKYTG-UHFFFAOYSA-N
+rxn:1:46165:22861,CCCc1nn(-c2cncc(-c3cn(CCC=Cc4n[nH]c5nc[nH]c(=O)c45)nn3)c2)c(I)c1Cl,GWPRILORSSHKJW-UHFFFAOYSA-N
+rxn:1:47585:22858,CCCc1nn(-c2cncc(-c3cn(CC(O)C(O)c4ccc5ocnc5c4)nn3)c2)c(Br)c1I,QJANFVNOYDLTAH-UHFFFAOYSA-N
+rxn:1:47588:22862,CCCc1nn(-c2cncc(-c3cn(CC(O)C(O)c4cnc5nc[nH]c5c4)nn3)c2)c(I)c1I,XGXXPUJGZXFMCF-UHFFFAOYSA-N
+rxn:1:47597:22711,CC(C)c1nn(-c2cncc(-c3cn(CC(O)C(O)c4ccc5[nH]nnc5c4)nn3)c2)c(Cl)c1Br,DYCJCWUDOUHMAI-UHFFFAOYSA-N
+rxn:1:47654:23508,Cc1nc2ccc(C(O)C(O)Cn3cc(-c4sc5nccc(-c6cccc([N+](=O)[O-])c6)c5c4N)nn3)cc2o1,REKHBGNWWBAPBV-UHFFFAOYSA-N
+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