Added 23 molecules from epoch 20000 for P31645

P31645_molecules.csv

@@ -47830,3 +47830,26 @@ rxn:1:48563:22677,Cc1nn(-c2cncc(-c3cn(-c4nc5nnnn5c5sc6c(c45)CC(C)(C)N(C)C6)nn3)c
 rxn:1:48962:23513,Nc1c(-c2cn(CCC(O)C(O)c3ccc4[nH]cnc4c3)nn2)sc2ncc(-c3ccc([N+](=O)[O-])cc3)cc12,CANFGGQBWWSGTD-UHFFFAOYSA-N
 rxn:1:51335:9882,COc1ccc(-c2[nH]c3c(c2C2C(=O)N(Cc4cn(CC5C(c6ccc(N7CCOCC7)cc6)C5(F)F)nn4)c4ccccc42)c(=O)n(C)c(=O)n3C)cc1,LRIYFVXOFZHJBW-UHFFFAOYSA-N
 rxn:1:61924:30347,Cc1ccc(F)c(CN2CCCn3cc(cn3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4nc(N)c5ncn(C6OC(CO)C(O)C6O)c5n4)nn2)CC3)c1,MCTKIYWNVHWPAT-UHFFFAOYSA-N
+rxn:1:41070:23567,Nc1c(-c2cn(CC=Cc3cc(Cl)c(C(=O)O)cc3F)nn2)sc2c(I)cncc12,AQCNUTWDEPIGGZ-UHFFFAOYSA-N
+rxn:1:41076:23567,Nc1c(-c2cn(CC=Cc3cc(F)c(F)cc3C(=O)O)nn2)sc2c(I)cncc12,OCIDMLOSJYICNM-UHFFFAOYSA-N
+rxn:1:41831:22701,CCc1nn(-c2cncc(-c3cn(CC=Cc4c[nH]c5ccc([N+](=O)[O-])cc45)nn3)c2)c(I)c1I,KYJLXWROGJRDHE-UHFFFAOYSA-N
+rxn:1:41878:22677,CC(=O)NCC=Cc1cccc(-n2cc(-c3cncc(-n4nc(C)c(I)c4Br)c3)nn2)c1,ZICVMLVHXSNXQK-UHFFFAOYSA-N
+rxn:1:41881:22720,CNCC=Cc1cccc(-n2cc(-c3cncc(-n4nc(C(C)C)c(Cl)c4I)c3)nn2)c1,BUQKYJLZPPOVSH-UHFFFAOYSA-N
+rxn:1:42551:22701,CCc1nn(-c2cncc(-c3cn(CC#Cc4cc(N)c(N)cc4C)nn3)c2)c(I)c1I,ZZPFYSOBARFFOH-UHFFFAOYSA-N
+rxn:1:42551:22870,Cc1cc(N)c(N)cc1C#CCn1cc(-c2cncc(-n3nc(C(F)F)c(I)c3N)c2)nn1,IKNWTQAMVCWBEO-UHFFFAOYSA-N
+rxn:1:42734:22701,CCc1nn(-c2cncc(-c3cn(CC#Cc4cnc(N)c(N)c4C)nn3)c2)c(I)c1I,VWCZHFXRBOFREG-UHFFFAOYSA-N
+rxn:1:42734:22880,Cc1c(C#CCn2cc(-c3cncc(-n4nc(C(F)F)cc4I)c3)nn2)cnc(N)c1N,YWTKNQFGYYHODB-UHFFFAOYSA-N
+rxn:1:42827:22662,COc1cnn(-c2cncc(-c3cn(CC#Cc4ccc5c(c4)CNCC5)nn3)c2)c1I,ZAWHEWDFWPDMIA-UHFFFAOYSA-N
+rxn:1:42868:23567,Nc1c(-c2cn(CC#Cc3csc(C=CC(=O)O)c3)nn2)sc2c(I)cncc12,KUVXVOQTYNTOCF-UHFFFAOYSA-N
+rxn:1:42874:22681,Cc1nn(-c2cncc(-c3cn(CC#Cc4cc(C(=O)O)ccc4F)nn3)c2)c(I)c1I,FVWFLBCPZIBGKE-UHFFFAOYSA-N
+rxn:1:43033:22661,CSc1cnn(-c2cncc(-c3cn(CC#Cc4c(C)cc(C#N)cc4C)nn3)c2)c1I,DAUNXKUCYIADMB-UHFFFAOYSA-N
+rxn:1:43050:28997,O=c1c2nccnc2[se]n1-c1c(F)cc(-c2cn(CC#Cc3cc([N+](=O)[O-])ccc3Cl)nn2)cc1F,OZHSFECPMARWAO-UHFFFAOYSA-N
+rxn:1:43294:23569,Cc1cc([N+](=O)[O-])c(F)cc1C#CCn1cc(-c2sc3c(Br)cncc3c2N)nn1,HLFCYSWAGKZYFD-UHFFFAOYSA-N
+rxn:1:44561:22679,Cc1nn(-c2cncc(-c3cn(CCC#Cc4cnc(N)c(C#N)c4)nn3)c2)c(I)c1Br,FSVWWIVLFPYSDE-UHFFFAOYSA-N
+rxn:1:45127:22681,Cc1nn(-c2cncc(-c3cn(CCC#Cc4cnc5[nH]cc([N+](=O)[O-])c5c4)nn3)c2)c(I)c1I,AOPBKBOSVBXQCY-UHFFFAOYSA-N
+rxn:1:45313:22700,CCc1nn(-c2cncc(-c3cn(-c4cccc(C#CCCNC)c4)nn3)c2)c(I)c1Cl,HPXHKBDFQHVPSO-UHFFFAOYSA-N
+rxn:1:45313:22701,CCc1nn(-c2cncc(-c3cn(-c4cccc(C#CCCNC)c4)nn3)c2)c(I)c1I,JUPJXKUXBZOEIS-UHFFFAOYSA-N
+rxn:1:45969:22661,CSc1cnn(-c2cncc(-c3cn(CCC=Cc4cnc(N)c(CO)c4)nn3)c2)c1I,KLTJKYWWHFZEOQ-UHFFFAOYSA-N
+rxn:1:46102:22681,Cc1nn(-c2cncc(-c3cn(CCC=Cc4cnc(N)c(N)c4C)nn3)c2)c(I)c1I,HOXCZYLFXNPMQU-UHFFFAOYSA-N
+rxn:1:48563:22659,CSc1cnn(-c2cncc(-c3cn(-c4nc5nnnn5c5sc6c(c45)CC(C)(C)N(C)C6)nn3)c2)c1Br,ORWHIFOHWLTQTN-UHFFFAOYSA-N
+rxn:1:48563:22661,CSc1cnn(-c2cncc(-c3cn(-c4nc5nnnn5c5sc6c(c45)CC(C)(C)N(C)C6)nn3)c2)c1I,NBOKHVASLUVGLC-UHFFFAOYSA-N