Added 35 molecules from epoch 19974 for P31645

P31645_molecules.csv

@@ -47510,3 +47510,38 @@ rxn:1:43360:22666,Cc1nn(-c2cncc(-c3cn(CC#Cc4ccc5c(c4)OC(F)(F)O5)nn3)c2)c(N)c1Br,
 rxn:1:45134:22666,Cc1nn(-c2cncc(-c3cn(-c4ccc(OCC5CCCO5)cc4)nn3)c2)c(N)c1Br,YDRZVZZTPGBSDL-UHFFFAOYSA-N
 rxn:1:46070:22666,COc1ncc(Cl)cc1C=CCCn1cc(-c2cncc(-n3nc(C)c(Br)c3N)c2)nn1,NSJFGBNCDHLVFD-UHFFFAOYSA-N
 rxn:1:48953:9351,CC(C(=O)NCc1cn(CCC(O)C(O)c2cnc3[nH]ccc3c2)nn1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O,LRGFZVBQUYMNKY-UHFFFAOYSA-N
+rxn:1:40662:118,Nc1c(-c2cn(CC=Cc3csc(C4OCCO4)c3)nn2)sc2nccc(-c3cccc(F)c3)c12,VWGGRBWWKXUKHL-UHFFFAOYSA-N
+rxn:1:40662:23545,Nc1c(-c2cn(CC=Cc3csc(C4OCCO4)c3)nn2)oc2ncc(-c3ccc(Cl)cc3)cc12,KAGJIVXEIJFYJQ-UHFFFAOYSA-N
+rxn:1:40813:685,CC(=O)c1ccc(F)cc1C=CCn1cc(-c2c(C)n(-c3ccccc3)c3c(=O)n(Cc4ccccc4)cnc23)nn1,SVZBVRLGPSVFKX-UHFFFAOYSA-N
+rxn:1:40851:10428,N#CSc1ccc(N)c(C=CCn2cc(Cn3c(=O)[nH]c4scc(-c5ccc6ccccc6c5)c4c3=O)nn2)c1,RCJYFZXBLOVVNN-UHFFFAOYSA-N
+rxn:1:40851:29117,Cc1ccc(O)c(Cc2ccc(-c3ccc(-c4cn(CC=Cc5cc(SC#N)ccc5N)nn4)cc3)cc2)c1,XWYVOAUMMCBOAZ-UHFFFAOYSA-N
+rxn:1:40861:22820,Cc1nn(C)c(C(=O)O)c1C=CCn1cc(-c2cncc(-n3nc(-c4ccccc4)c(Br)c3I)c2)nn1,RGIZGRRJEASBMT-UHFFFAOYSA-N
+rxn:1:40879:10318,Cc1cc([N+](=O)[O-])cnc1C=CCn1cc(Cn2c(-c3ccncc3)nc3sc(C)c(-c4cccs4)c3c2=O)nn1,SZDCHKXSZPKGMN-UHFFFAOYSA-N
+rxn:1:40882:10318,Cc1sc2nc(-c3ccncc3)n(Cc3cn(CC=Cc4ccc(/C(N)=N/O)cc4)nn3)c(=O)c2c1-c1cccs1,NWCWWRCEFZOSBT-UHFFFAOYSA-N
+rxn:1:40882:5051,N/C(=N\O)c1ccc(C=CCn2cc(Cn3c(-c4ccc(Cl)cc4)nc4scc(-c5ccco5)c4c3=O)nn2)cc1,XTGOPTQLBJRWCI-UHFFFAOYSA-N
+rxn:1:40914:28596,N#Cc1cc(F)c(F)cc1C=CCn1cc(Cn2cc(C=c3sc4nc5ccccc5n4c3=O)c3ccccc32)nn1,ATSMZXIBBXBOGH-UHFFFAOYSA-N
+rxn:1:40981:22666,COc1ccc(C=CCn2cc(-c3cncc(-n4nc(C)c(Br)c4N)c3)nn2)cc1C#N,IWJCIURQPPWEEB-UHFFFAOYSA-N
+rxn:1:40985:22666,COc1ccc(C#N)cc1C=CCn1cc(-c2cncc(-n3nc(C)c(Br)c3N)c2)nn1,LHRPHRRALOWIHB-UHFFFAOYSA-N
+rxn:1:41151:22931,Nc1cc(C(F)(F)F)ccc1C=CCn1cc(-c2cncc(-n3nc(O)cc3I)c2)nn1,UEAIPZFXMRCDRZ-UHFFFAOYSA-N
+rxn:1:41394:22931,N#Cc1cc(C(F)(F)F)ccc1C=CCn1cc(-c2cncc(-n3nc(O)cc3I)c2)nn1,PEJVGRUYWXYGNW-UHFFFAOYSA-N
+rxn:1:41454:22666,COC(=O)c1cc2ccc(C=CCn3cc(-c4cncc(-n5nc(C)c(Br)c5N)c4)nn3)cc2[nH]1,XMCMZQDRGMOOEV-UHFFFAOYSA-N
+rxn:1:41744:22666,COc1cc(Br)cc(C=CCn2cc(-c3cncc(-n4nc(C)c(Br)c4N)c3)nn2)c1O,PFYDJXPAOBISOR-UHFFFAOYSA-N
+rxn:1:41750:22668,COc1ccc(C=CCn2cc(-c3cncc(-n4nc(C)c(I)c4N)c3)nn2)c(Br)c1O,FQDJFIHUURLTIZ-UHFFFAOYSA-N
+rxn:1:41750:22679,COc1ccc(C=CCn2cc(-c3cncc(-n4nc(C)c(Br)c4I)c3)nn2)c(Br)c1O,PJIKYZRMQUPDQD-UHFFFAOYSA-N
+rxn:1:41819:22677,COC(=O)c1ccc2c(C=CCn3cc(-c4cncc(-n5nc(C)c(I)c5Br)c4)nn3)c[nH]c2c1,OSDMWZYSJJUYOY-UHFFFAOYSA-N
+rxn:1:41819:22699,CCc1nn(-c2cncc(-c3cn(CC=Cc4c[nH]c5cc(C(=O)OC)ccc45)nn3)c2)c(I)c1Br,CAYKBUFGUXGVNH-UHFFFAOYSA-N
+rxn:1:42852:22668,Cc1nn(-c2cncc(-c3cn(CC#Cc4ccccc4C(F)(F)F)nn3)c2)c(N)c1I,RUGPELDEHJUASY-UHFFFAOYSA-N
+rxn:1:42930:22666,Cc1ccc(F)c(C=O)c1C#CCn1cc(-c2cncc(-n3nc(C)c(Br)c3N)c2)nn1,NGVOOFNXRDETOZ-UHFFFAOYSA-N
+rxn:1:42975:22675,Cc1nn(-c2cncc(-c3cn(CC#Cc4cc(SC#N)ccc4N)nn3)c2)c(Br)c1Br,PWFXSTNDOAFXDR-UHFFFAOYSA-N
+rxn:1:43020:22666,Cc1nn(-c2cncc(-c3cn(CC#Cc4ccc(C(F)(F)F)cn4)nn3)c2)c(N)c1Br,CKKGRYGLQXMVRS-UHFFFAOYSA-N
+rxn:1:43024:22666,Cc1nn(-c2cncc(-c3cn(CC#Cc4cnccc4C(F)(F)F)nn3)c2)c(N)c1Br,OPAWEGPKJHAFBS-UHFFFAOYSA-N
+rxn:1:43202:28596,O=c1c(=Cc2cn(Cc3cn(CC#Cc4ccc(F)cc4OC(F)F)nn3)c3ccccc23)sc2nc3ccccc3n12,IQRMNBQMQSTPDB-UHFFFAOYSA-N
+rxn:1:43279:22666,Cc1nn(-c2cncc(-c3cn(CC#Cc4cc(N)ccc4C(F)(F)F)nn3)c2)c(N)c1Br,RHABYBGLIJUICT-UHFFFAOYSA-N
+rxn:1:43734:22666,Cc1nn(-c2cncc(-c3cn(CC#Cc4cc(Cl)ncc4C(F)(F)F)nn3)c2)c(N)c1Br,VFHRUOPQYOCGJY-UHFFFAOYSA-N
+rxn:1:44000:22666,Cc1nn(-c2cncc(-c3cn(-c4ccc(C[C@H](N)C(=O)O)cc4I)nn3)c2)c(N)c1Br,DFQJUVLACKHGTJ-HNNXBMFYSA-N
+rxn:1:44248:28596,O=c1c(=Cc2cn(Cc3cn(CCC#Cc4cc(F)c(F)cc4F)nn3)c3ccccc23)sc2nc3ccccc3n12,KRRAJLSNMLIXCO-UHFFFAOYSA-N
+rxn:1:44860:29038,Cc1cc(C#CCCn2cc(-c3nc(Br)cnc3-n3[se]c4ncccc4c3=O)nn2)ccc1[N+](=O)[O-],HRSCYWHHTHVOPX-UHFFFAOYSA-N
+rxn:1:46040:22666,Cc1nn(-c2cncc(-c3cn(CCC=Cc4c(N)ccc(F)c4F)nn3)c2)c(N)c1Br,SUDYZFOGVHPFAB-UHFFFAOYSA-N
+rxn:1:60009:30707,CCCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,FAGBKMIMMFSWQU-ALKIKZFASA-N
+rxn:1:60224:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,GXRSTFGOIURIMU-UHFFFAOYSA-N
+rxn:1:63135:30723,COC(=O)c1ccc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)C6CCCC6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(I)c1,QGPLTHFNCLTKTC-UHFFFAOYSA-N