Added 32 molecules from epoch 20092 for P31645

P31645_molecules.csv

@@ -50383,3 +50383,35 @@ rxn:1:57556:22862,CCCc1nn(-c2cncc(-c3cn(CCCc4cnc(N)nc4C)nn3)c2)c(I)c1I,DCBPGNKES
 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
+rxn:1:40705:22921,Clc1nc2ccc(C=CCn3cc(-c4cncc(-n5nc(C6CNC6)c(Br)c5I)c4)nn3)cc2s1,HTTCKIDJQVPLNA-UHFFFAOYSA-N
+rxn:1:41270:22909,Nc1c(Br)c(C2CNC2)nn1-c1cncc(-c2cn(CC=Cc3ccc4c(Cl)ccnc4c3)nn2)c1,OIWUVJZXAWELRH-UHFFFAOYSA-N
+rxn:1:41344:22920,Cc1cc(O)c2cc(C=CCn3cc(-c4cncc(-n5nc(C6CNC6)cc5I)c4)nn3)ccc2n1,QUKASKJRWILTJA-UHFFFAOYSA-N
+rxn:1:42112:22920,Fc1cc(Cl)ccc1C#CCn1cc(-c2cncc(-n3nc(C4CNC4)cc3I)c2)nn1,ZQWVXHCJYUETPZ-UHFFFAOYSA-N
+rxn:1:42232:22881,Cc1cc(N)ncc1C#CCn1cc(-c2cncc(-n3nc(C(F)F)c(Br)c3I)c2)nn1,FTZVGAIEXZMRJM-UHFFFAOYSA-N
+rxn:1:42365:22919,Nc1ncc(Cl)nc1C#CCn1cc(-c2cncc(-n3nc(C4CNC4)c(I)c3Br)c2)nn1,WRKVRRJGALKNQB-UHFFFAOYSA-N
+rxn:1:42734:22900,Cc1c(C#CCn2cc(-c3cncc(-n4nc(C(F)(F)F)cc4I)c3)nn2)cnc(N)c1N,QVGJHSOUFHGTRS-UHFFFAOYSA-N
+rxn:1:44586:22922,Clc1c(C2CNC2)nn(-c2cncc(-c3cn(CCC#Cc4cnc5cc[nH]c5c4)nn3)c2)c1I,LBLDKJABQRXGSY-UHFFFAOYSA-N
+rxn:1:44606:23761,O=c1c(=Cc2cc(I)cc(I)c2OCc2cn(CCC#Cc3cnc4nc[nH]c4c3)nn2)sc2nc3ccccc3n12,CBYTYAOVAIJGJK-UHFFFAOYSA-N
+rxn:1:46738:22721,CC(C)c1nn(-c2cncc(-c3cn(CCC=Cc4c[nH]c5ncnc(N)c45)nn3)c2)c(I)c1I,YKIACAPPDBBJGT-UHFFFAOYSA-N
+rxn:1:47586:22713,CC(C)c1nn(-c2cncc(-c3cn(CC(O)C(O)c4cnc5[nH]ncc5c4)nn3)c2)c(Cl)c1I,DCKBXYSJLUZFDI-UHFFFAOYSA-N
+rxn:1:47590:22741,OC(Cn1cc(-c2cncc(-n3nc(C4CC4)c(I)c3I)c2)nn1)C(O)c1cc2cn[nH]c2cn1,RZHMFGFZQZASPR-UHFFFAOYSA-N
+rxn:1:47596:22719,CC(C)c1nn(-c2cncc(-c3cn(CC(O)C(O)c4cnc5[nH]ccc5n4)nn3)c2)c(I)c1Br,UFFIUCDUVNUTHS-UHFFFAOYSA-N
+rxn:1:48254:22696,CCc1nn(-c2cncc(-c3cn(CC(O)C(O)c4ccc5ncnc(Cl)c5c4)nn3)c2)c(Br)c1Cl,OYKPEDMWXHKDBN-UHFFFAOYSA-N
+rxn:1:48254:22738,OC(Cn1cc(-c2cncc(-n3nc(C4CC4)cc3I)c2)nn1)C(O)c1ccc2ncnc(Cl)c2c1,KVPZSEJXFYBTFH-UHFFFAOYSA-N
+rxn:1:48254:23931,COc1ccccc1-c1ccc(OC)c(-c2cn(CC(O)C(O)c3ccc4ncnc(Cl)c4c3)nn2)c1,MWNOLLNWDPAQTQ-UHFFFAOYSA-N
+rxn:1:49046:36033,Cc1cc(OCc2ccccc2)ccc1-c1cccc(-c2cn(CCC(O)C(O)c3c[nH]c4c(Cl)ncnc34)nn2)c1,QAJWTUBJCWEZPW-UHFFFAOYSA-N
+rxn:1:49087:22920,FS(F)(F)(F)(F)c1ccc(-n2cc(-c3cncc(-n4nc(C5CNC5)cc4I)c3)nn2)cc1,XABIUPCNTVIAOT-UHFFFAOYSA-N
+rxn:1:55965:22923,Ic1c(C2CNC2)nn(-c2cncc(-c3cn(CC4CC4c4ccc5cn[nH]c5c4)nn3)c2)c1I,NWPCYGYFJLWQLZ-UHFFFAOYSA-N
+rxn:1:55971:22923,Ic1c(C2CNC2)nn(-c2cncc(-c3cn(CC4CC4c4ccc5scnc5c4)nn3)c2)c1I,AIKZCWVRXHIFCD-UHFFFAOYSA-N
+rxn:1:56073:22759,Nc1ncnc2[nH]nc(C3CC3Cn3cc(-c4cncc(-n5nc(C6CCC6)c(Br)c5I)c4)nn3)c12,DADYMFWEJVGHME-UHFFFAOYSA-N
+rxn:1:57120:22923,Fc1ccc(CCCn2cc(-c3cncc(-n4nc(C5CNC5)c(I)c4I)c3)nn2)cn1,LNXZWFHUXAQGCI-UHFFFAOYSA-N
+rxn:1:58006:22921,Nc1nc2c(CCCn3cc(-c4cncc(-n5nc(C6CNC6)c(Br)c5I)c4)nn3)cccc2s1,UJOCIWOBIMSQRQ-UHFFFAOYSA-N
+rxn:1:58008:22923,Nc1nc2cc(CCCn3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5I)c4)nn3)ccc2s1,JBBCEVSNIFBVRX-UHFFFAOYSA-N
+rxn:1:58643:22921,NCCCc1ccccc1-n1cc(-c2cncc(-n3nc(C4CNC4)c(Br)c3I)c2)nn1,NLHAIXKQIHGNQN-UHFFFAOYSA-N
+rxn:1:58718:22881,Nc1n[nH]cc1CCCCn1cc(-c2cncc(-n3nc(C(F)F)c(Br)c3I)c2)nn1,SEZZSFRRHYGDDG-UHFFFAOYSA-N
+rxn:1:58718:22903,Nc1n[nH]cc1CCCCn1cc(-c2cncc(-n3nc(C(F)(F)F)c(I)c3I)c2)nn1,KIRRRIWJLRLJKP-UHFFFAOYSA-N
+rxn:1:59348:22877,FC(F)c1nn(-c2cncc(-c3cn(CCCCc4n[nH]c5ncnc(Cl)c45)nn3)c2)c(Br)c1Br,HCHUFGLWAXPTRY-UHFFFAOYSA-N
+rxn:1:59438:22915,O=S(=O)(Cl)c1cccc2cc(-n3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5Cl)c4)nn3)ccc12,DMAZLZOSALXJSA-UHFFFAOYSA-N
+rxn:1:60076:22923,Cc1cc(C#N)cc(C)c1-n1cc(-c2cncc(-n3nc(C4CNC4)c(I)c3I)c2)nn1,FKOVYCBUDFEYPU-UHFFFAOYSA-N
+rxn:1:60382:22923,N#CCn1cc(Cn2cc(-c3cncc(-n4nc(C5CNC5)c(I)c4I)c3)nn2)c(-c2cccs2)n1,STDJECUIXSLTGJ-UHFFFAOYSA-N
+rxn:1:60731:22911,Cc1csc2cc([C@@H](C)n3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5N)c4)nn3)c(Br)c(=O)n12,MTURIQKKEREZPF-GFCCVEGCSA-N