Added 34 molecules from epoch 20094 for P31645

P31645_molecules.csv

@@ -50452,3 +50452,37 @@ rxn:1:58525:22919,Clc1ccc(-n2cc(CCCn3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5Br)c4)nn3)cn2
 rxn:1:59299:7853,Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(-c3cn(CCCCc4ncnc5[nH]cnc45)nn3)c1)cc(=O)n2C,AAAQHNOXBORYQS-KXQOOQHDSA-N
 rxn:1:59356:22916,Nc1nc2ccc(CCCCn3cc(-c4cncc(-n5nc(C6CNC6)cc5Br)c4)nn3)cc2s1,WQVDCASCGOCRDM-UHFFFAOYSA-N
 rxn:1:60382:22909,N#CCn1cc(Cn2cc(-c3cncc(-n4nc(C5CNC5)c(Br)c4N)c3)nn2)c(-c2cccs2)n1,QDXIWZYTTFDJMJ-UHFFFAOYSA-N
+rxn:1:41301:22903,Nc1ncnc2ccc(C=CCn3cc(-c4cncc(-n5nc(C(F)(F)F)c(I)c5I)c4)nn3)cc12,GYNWEMQARHGYRB-UHFFFAOYSA-N
+rxn:1:41446:23513,Nc1c(-c2cn(CC=Cc3ccc([N+](=O)[O-])c4cnccc34)nn2)sc2ncc(-c3ccc([N+](=O)[O-])cc3)cc12,CHTKDLNSLOOUKT-UHFFFAOYSA-N
+rxn:1:41591:22917,Nc1ncnc2[nH]cc(C=CCn3cc(-c4cncc(-n5nc(C6CNC6)c(Br)c5Br)c4)nn3)c12,DOMSFXXLJYBWRG-UHFFFAOYSA-N
+rxn:1:41622:22870,Nc1c(I)c(C(F)F)nn1-c1cncc(-c2cn(CC=Cc3c[nH]c4nc(Cl)nc(Cl)c34)nn2)c1,ZFWPJGWFLBZUBM-UHFFFAOYSA-N
+rxn:1:42012:22923,Clc1ncccc1C#CCn1cc(-c2cncc(-n3nc(C4CNC4)c(I)c3I)c2)nn1,HJUGHKQNELLLQD-UHFFFAOYSA-N
+rxn:1:42205:22917,N#Cc1ncccc1C#CCn1cc(-c2cncc(-n3nc(C4CNC4)c(Br)c3Br)c2)nn1,QJNMDICWPKNQSF-UHFFFAOYSA-N
+rxn:1:42216:22923,Cc1cc(C#CCn2cc(-c3cncc(-n4nc(C5CNC5)c(I)c4I)c3)nn2)ncc1N,JOHVFWJVBIWVLT-UHFFFAOYSA-N
+rxn:1:42240:22879,Oc1ncnc(O)c1C#CCn1cc(-c2cncc(-n3nc(C(F)F)c(I)c3Br)c2)nn1,RSQONNRSMYLEHN-UHFFFAOYSA-N
+rxn:1:42247:22848,CCCc1nn(-c2cncc(-c3cn(CC#Cc4cc(N)ccc4F)nn3)c2)c(N)c1Br,XSJCBAQJFSUROA-UHFFFAOYSA-N
+rxn:1:42801:22921,Nc1nc2ccc(C#CCn3cc(-c4cncc(-n5nc(C6CNC6)c(Br)c5I)c4)nn3)cc2s1,QGUONYOULXQJLD-UHFFFAOYSA-N
+rxn:1:43660:22920,Clc1cc(C#CCn2cc(-c3cncc(-n4nc(C5CNC5)cc4I)c3)nn2)ccc1Br,UEIIQJCJBHPMPI-UHFFFAOYSA-N
+rxn:1:43711:22919,Brc1ccc2c(C#CCn3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5Br)c4)nn3)n[nH]c2c1,SEDAQAZUQXYSIX-UHFFFAOYSA-N
+rxn:1:43738:23761,O=c1c(=Cc2cc(I)cc(I)c2OCc2cn(CC#Cc3ccc4ncnc(Cl)c4c3)nn2)sc2nc3ccccc3n12,ONNLPVDETVZTDF-UHFFFAOYSA-N
+rxn:1:43817:22881,Nc1n[nH]cc1C#CCCn1cc(-c2cncc(-n3nc(C(F)F)c(Br)c3I)c2)nn1,NUEFPFSIUCFOIE-UHFFFAOYSA-N
+rxn:1:44581:22923,Ic1c(C2CNC2)nn(-c2cncc(-c3cn(CCC#Cc4ccc5[nH]ncc5c4)nn3)c2)c1I,SOTWASNWEBAQTK-UHFFFAOYSA-N
+rxn:1:44604:33386,Cc1cc(C(=O)Nc2ccc(-c3cn(CCC#Cc4cnc5[nH]ncc5c4)nn3)nc2)c(Br)cc1F,ODEQBZLVMQMWCE-UHFFFAOYSA-N
+rxn:1:44614:22919,Brc1c(I)c(C2CNC2)nn1-c1cncc(-c2cn(CCC#Cc3cnc4[nH]ccc4n3)nn2)c1,CNWQBYFVDLMVCD-UHFFFAOYSA-N
+rxn:1:44694:22914,COc1cc2oc(=O)c(-n3cc(-c4cncc(-n5nc(C6CNC6)c(Cl)c5Cl)c4)nn3)cc2cc1Br,QLZUPBUHIJJPIA-UHFFFAOYSA-N
+rxn:1:46123:22915,Clc1c(I)c(C2CNC2)nn1-c1cncc(-c2cn(CCC=Cc3cnc4cc[nH]c4c3)nn2)c1,HDNHWCUVTKCALD-UHFFFAOYSA-N
+rxn:1:46197:22909,Nc1c(Br)c(C2CNC2)nn1-c1cncc(-c2cn(CCC=Cc3ccc4nc(Cl)sc4c3)nn2)c1,AVXRTJVSQZNOCL-UHFFFAOYSA-N
+rxn:1:47563:22919,OC(Cn1cc(-c2cncc(-n3nc(C4CNC4)c(I)c3Br)c2)nn1)C(O)c1ccc2[nH]ncc2c1,GNZNFUHUGLOFRC-UHFFFAOYSA-N
+rxn:1:47589:22862,CCCc1nn(-c2cncc(-c3cn(CC(O)C(O)c4cnc5cn[nH]c5c4)nn3)c2)c(I)c1I,OAVKPRPZEZEPFN-UHFFFAOYSA-N
+rxn:1:47616:22701,CCc1nn(-c2cncc(-c3cn(CC(O)C(O)c4ccc5cnn(C)c5c4)nn3)c2)c(I)c1I,GMNJIWVQUHEHLE-UHFFFAOYSA-N
+rxn:1:48078:36033,Cc1cc(O)c2cc(C(O)C(O)Cn3cc(-c4cccc(-c5ccc(OCc6ccccc6)cc5C)c4)nn3)ccc2n1,YBMNIHXKJSYSSC-UHFFFAOYSA-N
+rxn:1:48232:22862,CCCc1nn(-c2cncc(-c3cn(CC(O)C(O)c4ccnc5[nH]ccc45)nn3)c2)c(I)c1I,OQWAZJABKYLTID-UHFFFAOYSA-N
+rxn:1:48254:23507,Nc1c(-c2cn(CC(O)C(O)c3ccc4ncnc(Cl)c4c3)nn2)sc2nccc(-c3ccc([N+](=O)[O-])cc3)c12,IGFJYUBNLICHTQ-UHFFFAOYSA-N
+rxn:1:55135:22699,CCc1nn(-c2cncc(-c3cn(CC4CC4c4c[nH]nc4C#N)nn3)c2)c(I)c1Br,MHVAMGANCOZAIO-UHFFFAOYSA-N
+rxn:1:56008:22881,FC(F)c1nn(-c2cncc(-c3cn(CC4CC4c4n[nH]c5ncnc(Cl)c45)nn3)c2)c(I)c1Br,VWODHSNHHGUEON-UHFFFAOYSA-N
+rxn:1:56073:23570,Nc1c(-c2cn(CC3CC3c3n[nH]c4ncnc(N)c34)nn2)oc2nc(C(F)(F)F)ccc12,VKCQGGSWMGZBSW-UHFFFAOYSA-N
+rxn:1:56232:22923,Cc1nc2c(c(-n3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5I)c4)nn3)nn2C)c(C)c1Cl,SSCPPHWVCFRAIC-UHFFFAOYSA-N
+rxn:1:56964:22883,NCC1CC1c1ccccc1-n1cc(-c2cncc(-n3nc(C(F)F)c(I)c3I)c2)nn1,PWGRWFGPBSZRAX-UHFFFAOYSA-N
+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