Added 40 molecules from epoch 20236 for Q01959

Q01959_molecules.csv

@@ -17586,3 +17586,43 @@ rxn:1:59325:12827,Cc1cc(F)c(Br)cc1NC(=O)c1ccc(-c2cn(CCCCc3cnc4nc[nH]c4c3)nn2)cc1
 rxn:1:59366:22920,Nc1nc2cc(CCCCn3cc(-c4cncc(-n5nc(C6CNC6)cc5I)c4)nn3)ccc2o1,WCXQJUCMOQNNAI-UHFFFAOYSA-N
 rxn:1:61660:5194,Cc1cc2nc3sc(=Cc4cc(I)cc(I)c4OCc4cn([C@H](C)c5cccnc5)nn4)c(=O)n3c2cc1C,QONPJSUQAPHMLE-QGZVFWFLSA-N
 rxn:1:61985:22867,Nc1cc(C(F)F)nn1-c1cncc(-c2cn(-c3ccsc3C3SCCCS3)nn2)c1,IMWKAKORFYXDCP-UHFFFAOYSA-N
+rxn:1:40427:22923,Cc1cc(C=CCn2cc(-c3cncc(-n4nc(C5CNC5)c(I)c4I)c3)nn2)cnc1C#N,LRHWJQMJDQADDZ-UHFFFAOYSA-N
+rxn:1:42197:13358,Cc1ccc(I)cc1C(=O)Nc1ccc(-c2cn(CC#Cc3nc(Cl)ccc3N)nn2)cc1,AAZKUOHJIRUJSR-UHFFFAOYSA-N
+rxn:1:42205:22923,N#Cc1ncccc1C#CCn1cc(-c2cncc(-n3nc(C4CNC4)c(I)c3I)c2)nn1,TZPRMEVCRXFKMM-UHFFFAOYSA-N
+rxn:1:43266:23545,Nc1c(-c2cn(CC#Cc3c(O)ncnc3C(F)(F)F)nn2)oc2ncc(-c3ccc(Cl)cc3)cc12,NMBVBTYSKFFXBF-UHFFFAOYSA-N
+rxn:1:43388:22854,CCCc1nn(-c2cncc(-c3cn(CC#Cc4cnc5[nH]cc(C=O)c5c4)nn3)c2)c(Cl)c1I,SJXYCQZYCMVKJN-UHFFFAOYSA-N
+rxn:1:43758:22923,CNCC#Cc1cccc(-n2cc(-c3cncc(-n4nc(C5CNC5)c(I)c4I)c3)nn2)c1,JKXCJDOZLKDSPW-UHFFFAOYSA-N
+rxn:1:44608:7853,Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(-c3cn(CCC#Cc4cnc5cn[nH]c5c4)nn3)c1)cc(=O)n2C,WXRJZFVILIDZIS-LDLOPFEMSA-N
+rxn:1:44627:22870,Nc1c(I)c(C(F)F)nn1-c1cncc(-c2cn(CCC#Cc3n[nH]c4ncnc(Cl)c34)nn2)c1,PJAZVWJAFFLYMO-UHFFFAOYSA-N
+rxn:1:44679:13732,Cc1cc(NC(=O)c2ccc(-c3cn(CCC#Cc4cnc5ccc(Cl)nn45)nn3)cc2)ccc1I,NZWOZOSIGPXGQT-UHFFFAOYSA-N
+rxn:1:45035:22920,Clc1cnc2ccc(C#CCCn3cc(-c4cncc(-n5nc(C6CNC6)cc5I)c4)nn3)cc2n1,XZRYDAFNARHLSK-UHFFFAOYSA-N
+rxn:1:45407:10697,Cc1ncc(C=CCCn2cc(-c3cccc(NC(=O)c4c[nH]c5c(F)cccc5c4=O)c3)nn2)cn1,QDHRLDRZZKIORS-UHFFFAOYSA-N
+rxn:1:45982:22653,N#Cc1cnn(-c2cncc(-c3cn(CCC=Cc4cc(F)ccc4CN)nn3)c2)c1I,LMJPEGMYIUNGIH-UHFFFAOYSA-N
+rxn:1:46151:12666,O=C(Nc1ccc(Br)c(F)c1F)c1ccc(-c2cn(CCC=Cc3cnc4[nH]ccc4n3)nn2)cc1,WLDHRDNWFSBKQP-UHFFFAOYSA-N
+rxn:1:46345:23550,Nc1c(-c2cn(CCC=Cc3ccc(S(N)(=O)=O)cc3)nn2)oc2nccc(-c3cccc(Cl)c3)c12,CKPKEESCQIULOD-UHFFFAOYSA-N
+rxn:1:46570:9611,Nc1ncnc2ccc(C=CCCn3cc(-c4cccc(NC(=O)c5c[nH]c6cc(Br)ccc6c5=O)c4)nn3)cc12,FAAFZBOGNZFQBA-UHFFFAOYSA-N
+rxn:1:46762:5070,COc1cccc(-c2c(C)sc3nc(-c4ccncc4)n(Cc4cn(CCC=Cc5cnn(-c6ccc(Cl)nn6)c5)nn4)c(=O)c23)c1,BORRSOSRMYTXFQ-UHFFFAOYSA-N
+rxn:1:47558:10695,O=C(Nc1cccc(-c2cn(CC(O)C(O)c3ccc4occc4c3)nn2)c1)c1c[nH]c2c(Cl)cccc2c1=O,CIYJHWDUIPMRPP-UHFFFAOYSA-N
+rxn:1:47563:37301,CCOc1c(F)cccc1-c1cc(F)cc(-c2cn(CC(O)C(O)c3ccc4[nH]ncc4c3)nn2)c1,BCJSTOYEBHNADC-UHFFFAOYSA-N
+rxn:1:47567:10984,O=C(Nc1cccc(-c2cn(CC(O)C(O)c3cnc4cc[nH]c4c3)nn2)c1)c1c[nH]c2ccc(I)cc2c1=O,UPJWFFGEMLNAFG-UHFFFAOYSA-N
+rxn:1:48308:10348,Cc1ccc(-c2csc3nc(Cc4ccccc4)n(Cc4cn(CC(O)C(O)c5ccc(-n6cncn6)cc5)nn4)c(=O)c23)cc1C,ISMSJXWUUCQIKX-UHFFFAOYSA-N
+rxn:1:48751:22737,Brc1c(I)c(C2CC2)nn1-c1cncc(-c2cn(CC3COc4cscc4O3)nn2)c1,SZILAOSFLSQFGX-UHFFFAOYSA-N
+rxn:1:48953:13432,O=C(Nc1nc2cc(Br)ccc2o1)c1ccc(-c2cn(CCC(O)C(O)c3cnc4[nH]ccc4c3)nn2)cc1,ZJBDWMLHHXAXQC-UHFFFAOYSA-N
+rxn:1:48953:9039,O=C(Nc1cccc(-c2cn(CCC(O)C(O)c3cnc4[nH]ccc4c3)nn2)c1)c1cc2ccc(Cl)cc2s1,XGWBIOVPKGOTQZ-UHFFFAOYSA-N
+rxn:1:48975:12715,O=C(Nc1nc2cc(Cl)ccc2o1)c1ccc(-c2cn(CCC(O)C(O)c3cnc4[nH]ncc4c3)nn2)cc1,OEZCXQNNMWMUGL-UHFFFAOYSA-N
+rxn:1:49108:36065,Cc1c(-c2cccc(-c3cn(CCC(O)C(O)c4ccc(O)c5ccccc45)nn3)c2F)ccc2c1cnn2C,MHCGFLZWDYELAZ-UHFFFAOYSA-N
+rxn:1:49585:22923,CSCCn1cc(-c2cncc(-n3nc(C4CNC4)c(I)c3I)c2)nn1,WWZAZJGRFWZMEE-UHFFFAOYSA-N
+rxn:1:50504:22880,FC(F)c1cc(I)n(-c2cncc(-c3cn(CC4C(c5ccc6[nH]ncc6c5)C4(F)F)nn3)c2)n1,FYNINIIZQZCFSS-UHFFFAOYSA-N
+rxn:1:54296:22677,Cc1nn(-c2cncc(-c3cn(CCC4C(c5ccc6[nH]nnc6c5)C4(F)F)nn3)c2)c(Br)c1I,DBERBNYSUHGQQR-UHFFFAOYSA-N
+rxn:1:54313:23491,Nc1c(-c2cn(CCC3C(c4n[nH]c5nc[nH]c(=O)c45)C3(F)F)nn2)sc2nc(-c3ccc(Br)cc3)ccc12,HRCJQWZERXPTON-UHFFFAOYSA-N
+rxn:1:55967:23761,O=c1c(=Cc2cc(I)cc(I)c2OCc2cn(CC3CC3c3c[nH]c4ncccc34)nn2)sc2nc3ccccc3n12,CSKDQXSNKQHGBH-UHFFFAOYSA-N
+rxn:1:55982:33390,Cc1cc(Cl)c(C(=O)Nc2ccc(-c3cn(CC4CC4c4cnc5[nH]ncc5c4)nn3)nc2)cc1Cl,NGMRJRLUBBVAJR-UHFFFAOYSA-N
+rxn:1:56668:3320,Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(-c3cn(CC4CC4c4ccc(-n5cccn5)cc4)nn3)c1)cc(=O)n2C,MDVLNOWNBPUUDR-UHFFFAOYSA-N
+rxn:1:58483:3320,Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(-c3cn(CCCc4cccc5c(N)cccc45)nn3)c1)cc(=O)n2C,ANWICGPEMGQDDH-UHFFFAOYSA-N
+rxn:1:59349:9574,Nc1ncnc2[nH]cc(CCCCn3cc(-c4cccc(NC(=O)c5c[nH]c6c(I)cccc6c5=O)c4)nn3)c12,DIZQGGMUAKBOEG-UHFFFAOYSA-N
+rxn:1:59364:13380,O=C(Nc1ccc(-c2cn(CCCCc3cnc4[nH]c(=O)oc4c3)nn2)cc1)c1cc(I)ccc1F,PVARYUFJYJXUMZ-UHFFFAOYSA-N
+rxn:1:59854:22923,C[C@@H]1[C@@H](Cn2cc(-c3cncc(-n4nc(C5CNC5)c(I)c4I)c3)nn2)C1(F)F,NBSCKENGIXAXMW-NOZJJQNGSA-N
+rxn:1:60382:22915,N#CCn1cc(Cn2cc(-c3cncc(-n4nc(C5CNC5)c(I)c4Cl)c3)nn2)c(-c2cccs2)n1,CVJLMDLHLGEMFS-UHFFFAOYSA-N
+rxn:1:61751:22923,CSc1ncc(Br)c(Cn2cc(-c3cncc(-n4nc(C5CNC5)c(I)c4I)c3)nn2)n1,ABPTVPJPDNHTMH-UHFFFAOYSA-N
+rxn:1:61985:22884,Oc1cc(C(F)F)nn1-c1cncc(-c2cn(-c3ccsc3C3SCCCS3)nn2)c1,BKJXFSUFGTZAKB-UHFFFAOYSA-N
+rxn:1:62034:22923,Ic1c(C2CNC2)nn(-c2cncc(-c3cn(C4CCSC4)nn3)c2)c1I,JNUXPGCYUWLLIV-UHFFFAOYSA-N