Added 32 molecules from epoch 20091 for P31645

P31645_molecules.csv

@@ -50351,3 +50351,35 @@ rxn:1:58062:22919,Cc1nc2cc(CCCn3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5Br)c4)nn3)ccc2o1,L
 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
+rxn:1:40077:22883,Cc1cc(C=CCn2cc(-c3cncc(-n4nc(C(F)F)c(I)c4I)c3)nn2)cnc1N,WPNGGXPMNJOTFW-UHFFFAOYSA-N
+rxn:1:40670:22918,Clc1c(C2CNC2)nn(-c2cncc(-c3cn(CC=Cc4n[nH]c5ncnc(Cl)c45)nn3)c2)c1Br,LWOWWDIEQDJMHC-UHFFFAOYSA-N
+rxn:1:40717:22835,Nc1ncnc2[nH]nc(C=CCn3cc(-c4cncc(-n5nc(C6CCCC6)cc5Br)c4)nn3)c12,GPRPCRKRJFUWGX-UHFFFAOYSA-N
+rxn:1:41192:23569,Nc1c(-c2cn(CC=Cc3cc(F)c([N+](=O)[O-])cc3F)nn2)sc2c(Br)cncc12,JBXPNYGUYKUTJV-UHFFFAOYSA-N
+rxn:1:41873:22900,FC(F)(F)c1cc(I)n(-c2cncc(-c3cn(CC=Cc4c(Cl)ncnc4Cl)nn3)c2)n1,RNTWCKPAYJAJLW-UHFFFAOYSA-N
+rxn:1:41942:22923,Nc1n[nH]cc1C#CCn1cc(-c2cncc(-n3nc(C4CNC4)c(I)c3I)c2)nn1,UGJWLWFIMKZDAV-UHFFFAOYSA-N
+rxn:1:42205:22921,N#Cc1ncccc1C#CCn1cc(-c2cncc(-n3nc(C4CNC4)c(Br)c3I)c2)nn1,XSMIMACZYZFVJD-UHFFFAOYSA-N
+rxn:1:42362:22917,Nc1cnc(C#CCn2cc(-c3cncc(-n4nc(C5CNC5)c(Br)c4Br)c3)nn2)c(Cl)n1,UKGYUZVJWSDNHO-UHFFFAOYSA-N
+rxn:1:42372:22716,CC(C)c1nn(-c2cncc(-c3cn(CC#Cc4cnc(N)c(N)c4)nn3)c2)c(Br)c1Cl,KZJJQNDJAPFTAP-UHFFFAOYSA-N
+rxn:1:42797:22801,CC(C)Cc1nn(-c2cncc(-c3cn(CC#Cc4n[nH]c5nc[nH]c(=O)c45)nn3)c2)c(I)c1Cl,WCAGGTDJTFGZMB-UHFFFAOYSA-N
+rxn:1:42797:33386,Cc1cc(C(=O)Nc2ccc(-c3cn(CC#Cc4n[nH]c5nc[nH]c(=O)c45)nn3)nc2)c(Br)cc1F,POHITGVEKRCODS-UHFFFAOYSA-N
+rxn:1:43034:23502,COc1cccc(-c2ccnc3sc(-c4cn(CC#Cc5ccc(N=C=S)c(Cl)c5)nn4)c(N)c23)c1,YVJUUFJUADDWEL-UHFFFAOYSA-N
+rxn:1:44606:22901,FC(F)(F)c1nn(-c2cncc(-c3cn(CCC#Cc4cnc5nc[nH]c5c4)nn3)c2)c(I)c1Br,QCLNYEWIRSTBCF-UHFFFAOYSA-N
+rxn:1:44628:22920,O=c1[nH]cnc2[nH]nc(C#CCCn3cc(-c4cncc(-n5nc(C6CNC6)cc5I)c4)nn3)c12,GBLONONNENSVCQ-UHFFFAOYSA-N
+rxn:1:44676:24290,CCOc1c(F)cc(-c2cn(CCC#Cc3n[nH]c4ncnc(N)c34)nn2)cc1Br,NPFFTDTXUUMROJ-UHFFFAOYSA-N
+rxn:1:45033:22915,Clc1c(I)c(C2CNC2)nn1-c1cncc(-c2cn(CCC#Cc3cnc(-n4ccnc4)nc3)nn2)c1,FVKAHQTXFHOXOG-UHFFFAOYSA-N
+rxn:1:45373:22883,Nc1cc(C=CCCn2cc(-c3cncc(-n4nc(C(F)F)c(I)c4I)c3)nn2)n[nH]1,HWRDXPOXXZGKJH-UHFFFAOYSA-N
+rxn:1:46164:22877,FC(F)c1nn(-c2cncc(-c3cn(CCC=Cc4n[nH]c5ncnc(Cl)c45)nn3)c2)c(Br)c1Br,LEZGKKJOXYCAAX-UHFFFAOYSA-N
+rxn:1:46738:22923,Nc1ncnc2[nH]cc(C=CCCn3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5I)c4)nn3)c12,WPSRIPHPHBKLQG-UHFFFAOYSA-N
+rxn:1:47590:22858,CCCc1nn(-c2cncc(-c3cn(CC(O)C(O)c4cc5cn[nH]c5cn4)nn3)c2)c(Br)c1I,XGYFWMARRUXGJZ-UHFFFAOYSA-N
+rxn:1:47597:22713,CC(C)c1nn(-c2cncc(-c3cn(CC(O)C(O)c4ccc5[nH]nnc5c4)nn3)c2)c(Cl)c1I,OUHKFIUGKVEZHO-UHFFFAOYSA-N
+rxn:1:48254:22701,CCc1nn(-c2cncc(-c3cn(CC(O)C(O)c4ccc5ncnc(Cl)c5c4)nn3)c2)c(I)c1I,XPZLKFSUAFYVEV-UHFFFAOYSA-N
+rxn:1:48254:22734,OC(Cn1cc(-c2cncc(-n3nc(C4CC4)cc3Br)c2)nn1)C(O)c1ccc2ncnc(Cl)c2c1,XVWXNSLQRNROOY-UHFFFAOYSA-N
+rxn:1:48254:22880,OC(Cn1cc(-c2cncc(-n3nc(C(F)F)cc3I)c2)nn1)C(O)c1ccc2ncnc(Cl)c2c1,XWSFMHBIXRSFPJ-UHFFFAOYSA-N
+rxn:1:49286:22679,Cc1nn(-c2cncc(-c3cn(CCC(O)C(O)c4ccnc5cc(Cl)ccc45)nn3)c2)c(I)c1Br,URKSXNJHJIKOJV-UHFFFAOYSA-N
+rxn:1:53328:22681,Cc1nn(-c2cncc(-c3cn(CCC4C(c5ncc[nH]5)C4(F)F)nn3)c2)c(I)c1I,WOKRVYLBUQWMRZ-UHFFFAOYSA-N
+rxn:1:55960:22921,Brc1c(C2CNC2)nn(-c2cncc(-c3cn(CC4CC4c4cnc5cc[nH]c5c4)nn3)c2)c1I,CBPPQSUEVCLBCT-UHFFFAOYSA-N
+rxn:1:55985:22923,Ic1c(C2CNC2)nn(-c2cncc(-c3cn(CC4CC4c4cnc5cn[nH]c5c4)nn3)c2)c1I,IQBDMHQDSKFRAZ-UHFFFAOYSA-N
+rxn:1:57556:22862,CCCc1nn(-c2cncc(-c3cn(CCCc4cnc(N)nc4C)nn3)c2)c(I)c1I,DCBPGNKESGLOKD-UHFFFAOYSA-N
+rxn:1:59409:22741,Nc1ncnc2[nH]nc(CCCCn3cc(-c4cncc(-n5nc(C6CC6)c(I)c5I)c4)nn3)c12,VZZQNBUSNOTXNI-UHFFFAOYSA-N
+rxn:1:59481:22920,Clc1ccnc2ccc(CCCCn3cc(-c4cncc(-n5nc(C6CNC6)cc5I)c4)nn3)cc12,YJOOYFJOIVBOHS-UHFFFAOYSA-N
+rxn:1:60377:22921,FCCn1cc(Cn2cc(-c3cncc(-n4nc(C5CNC5)c(Br)c4I)c3)nn2)c(-c2cccs2)n1,YMMOZEJOPMNEGD-UHFFFAOYSA-N