Added 32 molecules from epoch 20090 for P31645

P31645_molecules.csv

@@ -50319,3 +50319,35 @@ rxn:1:59333:22899,FC(F)(F)c1nn(-c2cncc(-c3cn(CCCCc4cnc5[nH]ccc5n4)nn3)c2)c(Br)c1
 rxn:1:59409:22857,CCCc1nn(-c2cncc(-c3cn(CCCCc4n[nH]c5ncnc(N)c45)nn3)c2)c(Br)c1Cl,RQLCROCEJADQSK-UHFFFAOYSA-N
 rxn:1:59438:22909,Nc1c(Br)c(C2CNC2)nn1-c1cncc(-c2cn(-c3ccc4c(S(=O)(=O)Cl)cccc4c3)nn2)c1,MXZDUZTWOYBLEP-UHFFFAOYSA-N
 rxn:1:60383:22920,N#CC(F)(F)c1cccc(-n2cc(-c3cncc(-n4nc(C5CNC5)cc4I)c3)nn2)c1,ZWPNNMVVIDEOPQ-UHFFFAOYSA-N
+rxn:1:40243:22862,CCCc1nn(-c2cncc(-c3cn(CC=Cc4cnc(N)nc4C)nn3)c2)c(I)c1I,ASZRFZLAWAMGHA-UHFFFAOYSA-N
+rxn:1:41620:22891,Nc1c(I)c(C(F)(F)F)nn1-c1cncc(-c2cn(CC=Cc3ccc4ncnc(Cl)c4c3)nn2)c1,BCVXIDWFAQQHRJ-UHFFFAOYSA-N
+rxn:1:41983:22921,Nc1ccc(C#CCn2cc(-c3cncc(-n4nc(C5CNC5)c(Br)c4I)c3)nn2)cn1,HDTFRDDRHXDAPH-UHFFFAOYSA-N
+rxn:1:42371:22720,CNc1ncc(C#CCn2cc(-c3cncc(-n4nc(C(C)C)c(Cl)c4I)c3)nn2)cn1,KOFHXXOAECCPJQ-UHFFFAOYSA-N
+rxn:1:42600:22697,CCc1nn(-c2cncc(-c3cn(CC#Cc4cc(F)c(N)cc4C)nn3)c2)c(Br)c1I,DVMFAWXFSPKKPO-UHFFFAOYSA-N
+rxn:1:42725:23516,COc1cc(N)ccc1C#CCn1cc(-c2sc3nc(-c4ccc([N+](=O)[O-])cc4)ccc3c2N)nn1,YDYPMXXIHQOJOR-UHFFFAOYSA-N
+rxn:1:42801:22914,Nc1nc2ccc(C#CCn3cc(-c4cncc(-n5nc(C6CNC6)c(Cl)c5Cl)c4)nn3)cc2s1,UDHJHWXVNDDJHV-UHFFFAOYSA-N
+rxn:1:42832:22891,Nc1c(I)c(C(F)(F)F)nn1-c1cncc(-c2cn(CC#Cc3ccc4nc(Cl)sc4c3)nn2)c1,JQHXHFHEPCAYAY-UHFFFAOYSA-N
+rxn:1:43388:22733,O=Cc1c[nH]c2ncc(C#CCn3cc(-c4cncc(-n5nc(C6CC6)c(I)c5Cl)c4)nn3)cc12,BLFFRQGMABJZQF-UHFFFAOYSA-N
+rxn:1:43449:22729,Nc1c(I)c(C2CC2)nn1-c1cncc(-c2cn(CC#Cc3ccc4[nH]c(=O)[nH]c(=O)c4c3)nn2)c1,BUGQDIXGZUFHEI-UHFFFAOYSA-N
+rxn:1:43671:22739,Nc1ccnc(Cl)c1C#CCn1cc(-c2cncc(-n3nc(C4CC4)c(Br)c3I)c2)nn1,YUKDVOWSXMGNBI-UHFFFAOYSA-N
+rxn:1:45279:22899,Nc1ncnc2[nH]cc(C#CCCn3cc(-c4cncc(-n5nc(C(F)(F)F)c(I)c5Br)c4)nn3)c12,GNXXYSXHOJLNOR-UHFFFAOYSA-N
+rxn:1:46144:22911,Nc1c(I)c(C2CNC2)nn1-c1cncc(-c2cn(CCC=Cc3cnc4nc[nH]c4c3)nn2)c1,LIDNQIXJBKPUEB-UHFFFAOYSA-N
+rxn:1:46167:22920,Nc1nc2cc(C=CCCn3cc(-c4cncc(-n5nc(C6CNC6)cc5I)c4)nn3)ccc2s1,WDLZLFGPABYXJK-UHFFFAOYSA-N
+rxn:1:46738:109,Nc1c(-c2cn(CCC=Cc3c[nH]c4ncnc(N)c34)nn2)sc2nc(C(F)(F)F)ccc12,RWXISPJUGRIGFX-UHFFFAOYSA-N
+rxn:1:47563:22922,OC(Cn1cc(-c2cncc(-n3nc(C4CNC4)c(Cl)c3I)c2)nn1)C(O)c1ccc2[nH]ncc2c1,MANAOBKZMLXIFT-UHFFFAOYSA-N
+rxn:1:47576:22719,CC(C)c1nn(-c2cncc(-c3cn(CC(O)C(O)c4cccc5[nH]ncc45)nn3)c2)c(I)c1Br,GMUKXUYWCLKREA-UHFFFAOYSA-N
+rxn:1:47596:22923,OC(Cn1cc(-c2cncc(-n3nc(C4CNC4)c(I)c3I)c2)nn1)C(O)c1cnc2[nH]ccc2n1,CYQYKZKTLRRYIN-UHFFFAOYSA-N
+rxn:1:47597:22741,OC(Cn1cc(-c2cncc(-n3nc(C4CC4)c(I)c3I)c2)nn1)C(O)c1ccc2[nH]nnc2c1,QYIASPBYLUXFQG-UHFFFAOYSA-N
+rxn:1:47597:22881,OC(Cn1cc(-c2cncc(-n3nc(C(F)F)c(Br)c3I)c2)nn1)C(O)c1ccc2[nH]nnc2c1,CHVXXUXMYOLXFM-UHFFFAOYSA-N
+rxn:1:47613:22700,CCc1nn(-c2cncc(-c3cn(CC(O)C(O)c4ccc5nc(N)sc5c4)nn3)c2)c(I)c1Cl,DTCQRJUQCAPLBG-UHFFFAOYSA-N
+rxn:1:47613:22701,CCc1nn(-c2cncc(-c3cn(CC(O)C(O)c4ccc5nc(N)sc5c4)nn3)c2)c(I)c1I,ACMDBOGKGXAADO-UHFFFAOYSA-N
+rxn:1:47650:23508,Cc1nc2cc(C(O)C(O)Cn3cc(-c4sc5nccc(-c6cccc([N+](=O)[O-])c6)c5c4N)nn3)ccc2o1,GYZVYRRUWPJRTE-UHFFFAOYSA-N
+rxn:1:48041:22861,CCCc1nn(-c2cncc(-c3cn(CC(O)C(O)c4c(N)ccc5nccnc45)nn3)c2)c(I)c1Cl,VTJUNKQXCIROCK-UHFFFAOYSA-N
+rxn:1:50618:22681,Cc1nn(-c2cncc(-c3cn(CC4C(c5c[nH]c6c(Cl)ncnc56)C4(F)F)nn3)c2)c(I)c1I,SWPLPYNUTIGUME-UHFFFAOYSA-N
+rxn:1:52677:22700,CCc1nn(-c2cncc(-c3cn(CCC4CC4c4n[nH]c5ncnc(N)c45)nn3)c2)c(I)c1Cl,GYMFPKCKNGUJPT-UHFFFAOYSA-N
+rxn:1:56010:22883,O=c1[nH]cnc2[nH]nc(C3CC3Cn3cc(-c4cncc(-n5nc(C(F)F)c(I)c5I)c4)nn3)c12,WDWHKDJXAIOOJY-UHFFFAOYSA-N
+rxn:1:57555:22881,Nc1ncnc(Cl)c1CCCn1cc(-c2cncc(-n3nc(C(F)F)c(Br)c3I)c2)nn1,ZGXODUNUUXTOPT-UHFFFAOYSA-N
+rxn:1:58062:22919,Cc1nc2cc(CCCn3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5Br)c4)nn3)ccc2o1,LWIJGHWDYZWVOB-UHFFFAOYSA-N
+rxn:1:59351:22920,Nc1nc2c(CCCCn3cc(-c4cncc(-n5nc(C6CNC6)cc5I)c4)nn3)cccc2s1,GZKVIJYRLZWFLD-UHFFFAOYSA-N
+rxn:1:59409:23589,CC(C)(C)c1ccc2c(N)c(-c3cn(CCCCc4n[nH]c5ncnc(N)c45)nn3)oc2n1,QCMWXZYHUVIOEP-UHFFFAOYSA-N
+rxn:1:59906:22862,CCCc1nn(-c2cncc(-c3cn(Cc4c(C5CCC5)nn5cc[nH]c45)nn3)c2)c(I)c1I,HDMNEODEHHZWPM-UHFFFAOYSA-N