Added 201 molecules from epoch 17572 for Q92769
Browse files- Q92769_molecules.csv +201 -0
Q92769_molecules.csv
CHANGED
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@@ -30327,3 +30327,204 @@ FD4C45E0905D5498_606E50F8EFA550D2_6029_UN,OC1=CC(=CC=C1)CN(C2CC2)[S](C3=C(C=CC(=
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| 30327 |
FF0F8BA83BB691BE_05F443D9C0D2B115_6031_UN,CC1=C(C=C(S1)C(=O)OCCCNC(=C2N=CC=CC2=O)O)[S](=O)(=O)Cl,XTBSTFRMXRKHCI-UHFFFAOYSA-N
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| 30328 |
FF8633FCBEDB55A0_A1258EABC9D208CE_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)N4CCN(C3CCC(C)CC3)CC4,BCFSGZGBPIBXFJ-UHFFFAOYSA-N
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| 30329 |
FFF3F80E84C6D569_862F42808A7AE6B3_6029_UN,N(CC1=C(C=CC=C1)O)[S](C2=CC(=C(O)C=C2)O)(=O)=O,MWRRONLDQUGCAC-UHFFFAOYSA-N
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| 30327 |
FF0F8BA83BB691BE_05F443D9C0D2B115_6031_UN,CC1=C(C=C(S1)C(=O)OCCCNC(=C2N=CC=CC2=O)O)[S](=O)(=O)Cl,XTBSTFRMXRKHCI-UHFFFAOYSA-N
|
| 30328 |
FF8633FCBEDB55A0_A1258EABC9D208CE_6026_UN,CC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)N4CCN(C3CCC(C)CC3)CC4,BCFSGZGBPIBXFJ-UHFFFAOYSA-N
|
| 30329 |
FFF3F80E84C6D569_862F42808A7AE6B3_6029_UN,N(CC1=C(C=CC=C1)O)[S](C2=CC(=C(O)C=C2)O)(=O)=O,MWRRONLDQUGCAC-UHFFFAOYSA-N
|
| 30330 |
+
rxn:3:11519:49499:86559,C=C(C)C[N+](C)(C)Cc1cn(C[C@H]2C[C@H](C(=O)NC3C(F)(F)C34CC4)C2)nn1,BHSSOTIRRQVSBE-OSPTYYIOSA-O
|
| 30331 |
+
rxn:3:11519:59897:95986,C=C(C)C[N+](C)(C)Cc1cn(Cc2cccc(C(=O)NC3CC(F)(C#CC)C3)n2)nn1,HLPCDPSJGUTTOJ-UHFFFAOYSA-O
|
| 30332 |
+
rxn:3:11519:64509:100705,C=C(C)C[N+](C)(C)Cc1cn(-c2cncc(C(=O)NC3(C)CC4(CC(F)(F)C4)C3)c2)nn1,ZLTKHSUDUMKSOD-UHFFFAOYSA-O
|
| 30333 |
+
rxn:3:1156:40919:106691,CCn1ccnc1-c1cn(CC=Cc2cc(C(=O)N[C@@H](c3cc(OC)c4c(c3)OCO4)C3CCCC3)c(F)cn2)nn1,SWZRCJWVZYQAIQ-HHHXNRCGSA-N
|
| 30334 |
+
rxn:3:1174:47746:106248,Cc1ccc2nc(-c3cn(-c4c(F)cc5c(=O)c(C(=O)N[C@@H]6CCCC[C@@H]6OC(C)C)cn(C6CC6)c5c4F)nn3)cn2c1,FVKZTIIREBFEGO-BVAGGSTKSA-N
|
| 30335 |
+
rxn:3:12214:40554:100773,CCN1C[C@@H](F)[C@H](c2cn(CC=Cc3cncc(C(=O)NCC4C(OC)C4c4ccco4)c3)nn2)C1,ZEYLCHGYCBCVRJ-AOEUTPNTSA-N
|
| 30336 |
+
rxn:3:12214:40554:77407,CCN1C[C@@H](F)[C@H](c2cn(CC=Cc3cncc(C(=O)NC(c4ccc(OC)cc4C)C(C)C)c3)nn2)C1,LFDKQZQJJPRRML-AQTMLSCTSA-N
|
| 30337 |
+
rxn:3:1251:59446:67951,CN(C)c1ccc(-c2cn([C@H]3C[C@@H](C(=O)NC4(c5ccc6c(c5)OC(F)(F)O6)CCCC4)C3)nn2)cn1,GFWHNGQQWXHFNE-IZAXUBKRSA-N
|
| 30338 |
+
rxn:3:14351:60054:129999,N#CC12CC(c3cn(CC45CC(C(=O)Nc6ccccc6OS(=O)(=O)F)(C4)C5)nn3)(C1)C2,XYKFJVXXOUMFOS-UHFFFAOYSA-N
|
| 30339 |
+
rxn:3:16806:43162:69859,CCc1c(-c2cn(CC#Cc3ccc(F)c(CC(=O)N[C@H]4CC[Se]C4)c3)nn2)cnn1CCN(C)C,NDBVIEKJQSZOKU-NRFANRHFSA-N
|
| 30340 |
+
rxn:3:16806:45142:142216,CCc1c(-c2cn(-c3ccc(OCC(=O)N[C@@H]4CCCCC4(F)F)cc3)nn2)cnn1CCN(C)C,WBZPQHMPFJTDPG-HSZRJFAPSA-N
|
| 30341 |
+
rxn:3:16806:45142:75970,CCc1c(-c2cn(-c3ccc(OCC(=O)N[C@H]4CCOCC4(F)F)cc3)nn2)cnn1CCN(C)C,TXDMZCDVIBJORY-QFIPXVFZSA-N
|
| 30342 |
+
rxn:3:17722:42567:83860,CC(C)n1nc(-c2cn(CC#Cc3cnc(C(=O)Nc4cccc(OS(=O)(=O)F)c4)nc3)nn2)cc1C1CCCCC1,WSDIUYWVRMCCKP-UHFFFAOYSA-N
|
| 30343 |
+
rxn:3:17885:47746:104152,Cc1cc(-n2nccc2-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5C[C@H](C6CCCC6)C5)cn(C5CC5)c4c3F)nn2)ncc1F,QPJABGBOLWROOV-MXVIHJGJSA-N
|
| 30344 |
+
rxn:3:17887:49937:156104,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4cn[nH]c4C(=O)Nc4ccc5c(c4)C4(CCCO4)CS5(=O)=O)C3(F)F)nn2)c1,NWPQCSMGSQJQDN-UHFFFAOYSA-N
|
| 30345 |
+
rxn:3:17901:49937:66355,Cc1ccnc(-n2cc(-c3cn(CC4C(c5cn[nH]c5C(=O)NC5CCC6(CC5)CS(=O)(=O)C6)C4(F)F)nn3)cn2)c1,KQJDPFWDOPSRBY-UHFFFAOYSA-N
|
| 30346 |
+
rxn:3:18811:46240:127163,CCC(C)n1nccc1-c1cn(CCC=Cc2cc(F)cc(C(=O)N[C@H]3CC[C@H](OC)CC3)c2)nn1,KSHBYWZQTAOZKV-FJOXCSBYSA-N
|
| 30347 |
+
rxn:3:18811:46240:96499,CCC(C)n1nccc1-c1cn(CCC=Cc2cc(F)cc(C(=O)N[C@H]3CC[C@@H](OC)CC3)c2)nn1,KSHBYWZQTAOZKV-LLTGHQJGSA-N
|
| 30348 |
+
rxn:3:1911:40561:95986,C=CCN(C)Cc1cn(CC=Cc2ncccc2C(=O)NC2CC(F)(C#CC)C2)nn1,SZNWXRWKIDSYJE-UHFFFAOYSA-N
|
| 30349 |
+
rxn:3:1911:42129:95986,C=CCN(C)Cc1cn(CC#Cc2ccc(C(=O)NC3CC(F)(C#CC)C3)s2)nn1,WFARXZBABIWYOQ-UHFFFAOYSA-N
|
| 30350 |
+
rxn:3:1911:42180:95904,C=CCN(C)Cc1cn(CC#Cc2ccc(C(=O)NC3CC4(C3)CC4(F)F)o2)nn1,RFSKWXQOIYTPFH-UHFFFAOYSA-N
|
| 30351 |
+
rxn:3:1911:42180:96700,C=CCN(C)Cc1cn(CC#Cc2ccc(C(=O)NC3CC4(C3)CC(F)(F)C4)o2)nn1,DCQVYBPEDMBOAC-UHFFFAOYSA-N
|
| 30352 |
+
rxn:3:1911:42681:95986,C=CCN(C)Cc1cn(CC#Cc2cccnc2C(=O)NC2CC(F)(C#CC)C2)nn1,IPIWTIXNXSNBIZ-UHFFFAOYSA-N
|
| 30353 |
+
rxn:3:1911:42683:96700,C=CCN(C)Cc1cn(CC#Cc2cc(C(=O)NC3CC4(C3)CC(F)(F)C4)ccn2)nn1,FMCLAXPDRZOQOK-UHFFFAOYSA-N
|
| 30354 |
+
rxn:3:1911:42685:96700,C=CCN(C)Cc1cn(CC#Cc2ccc(C(=O)NC3CC4(C3)CC(F)(F)C4)cn2)nn1,WTYIBUPOKATTOD-UHFFFAOYSA-N
|
| 30355 |
+
rxn:3:1911:42686:95986,C=CCN(C)Cc1cn(CC#Cc2ncccc2C(=O)NC2CC(F)(C#CC)C2)nn1,NKYBBHXGDNMWTP-UHFFFAOYSA-N
|
| 30356 |
+
rxn:3:1911:44515:95904,C=CCN(C)Cc1cn(CCC#Cc2cc(C(=O)NC3CC4(C3)CC4(F)F)ccn2)nn1,VEYSWEXGRAPJMO-UHFFFAOYSA-N
|
| 30357 |
+
rxn:3:1911:44517:95904,C=CCN(C)Cc1cn(CCC#Cc2ccc(C(=O)NC3CC4(C3)CC4(F)F)cn2)nn1,KPFVAZMJRPLUSD-UHFFFAOYSA-N
|
| 30358 |
+
rxn:3:20088:47746:110191,N#Cc1cnc2nc(SCc3cn(-c4c(F)cc5c(=O)c(C(=O)NC6CCCCCC6)cn(C6CC6)c5c4F)nn3)nn2c1,UNWVLEHBPZNIRW-UHFFFAOYSA-N
|
| 30359 |
+
rxn:3:23151:42180:82322,CCN1CC(Cc2cn(CC#Cc3ccc(C(=O)NCC4(OC)CC(F)(F)C4)o3)nn2)C1,RHCIBZNMHIYUBW-UHFFFAOYSA-N
|
| 30360 |
+
rxn:3:23188:42680:73149,C[Si](C)(C)CNC(=O)c1ccc(C#CCn2cc(CC3(C#N)CC(F)(F)C3)nn2)cn1,OEZPLOXBUDHZEB-UHFFFAOYSA-N
|
| 30361 |
+
rxn:3:23731:43780:127464,CCS(=O)(=O)CC1(CNC(=O)CC#Cc2cccc(-n3cc([C@H]4C[C@H](n5ccnn5)C4)nn3)c2)CCC1,GTRMIVQRDBENBH-AFARHQOCSA-N
|
| 30362 |
+
rxn:3:23731:43780:140794,CCS(=O)(=O)CC1(CNC(=O)CC#Cc2cccc(-n3cc([C@H]4C[C@H](n5ccnn5)C4)nn3)c2)CC1,WJXKCFAYTJGKHH-AQYVVDRMSA-N
|
| 30363 |
+
rxn:3:23732:42874:99561,CCOC1(CNC(=O)c2ccc(F)c(C#CCn3cc([C@H]4C[C@@H](n5ccnn5)C4)nn3)c2)CS(=O)(=O)C1,BZEDEQRFFQOTIC-BGYRXZFFSA-N
|
| 30364 |
+
rxn:3:23732:43780:127464,CCS(=O)(=O)CC1(CNC(=O)CC#Cc2cccc(-n3cc([C@H]4C[C@@H](n5ccnn5)C4)nn3)c2)CCC1,GTRMIVQRDBENBH-DKXQDJALSA-N
|
| 30365 |
+
rxn:3:23732:43780:140794,CCS(=O)(=O)CC1(CNC(=O)CC#Cc2cccc(-n3cc([C@H]4C[C@@H](n5ccnn5)C4)nn3)c2)CC1,WJXKCFAYTJGKHH-GRGXKFILSA-N
|
| 30366 |
+
rxn:3:23775:56520:83860,CSc1ncc(C2CC2Cn2cc(C3(n4cc(F)cn4)CCCC3)nn2)c(C(=O)Nc2cccc(OS(=O)(=O)F)c2)n1,HXJZMLORVXWEJX-UHFFFAOYSA-N
|
| 30367 |
+
rxn:3:23815:60078:92636,CCS(=O)(=O)C1(CNC(=O)c2cc3n(CCn4cc(C(C)(C)n5ccnn5)nn4)ccn3n2)CC2(CC2)C1,PGKABEYZSLMILW-UHFFFAOYSA-N
|
| 30368 |
+
rxn:3:28143:43162:133988,CC(C)c1sccc1NC(=O)Cc1cc(C#CCn2cc([C@H]3CC[C@@H](N(C)C)CC3)nn2)ccc1F,BOBJMAKTKYLOJA-DKXQDJALSA-N
|
| 30369 |
+
rxn:3:28143:43163:88283,CC[C@H](NC(=O)Cc1ccc(F)c(C#CCn2cc([C@H]3CC[C@@H](N(C)C)CC3)nn2)c1)c1sccc1C,DONUFGTYUURROW-FBILRYNDSA-N
|
| 30370 |
+
rxn:3:28143:43166:133988,CC(C)c1sccc1NC(=O)Cc1ccc(C#CCn2cc([C@H]3CC[C@@H](N(C)C)CC3)nn2)cc1F,NVVUVGRGZQYYNI-DKXQDJALSA-N
|
| 30371 |
+
rxn:3:30475:49937:75953,CCn1ncc(-c2cn(CC3C(c4cn[nH]c4C(=O)NCC4(S(=O)(=O)CC)CCOCC4)C3(F)F)nn2)c1C,YTJZQNRDLYGQDT-UHFFFAOYSA-N
|
| 30372 |
+
rxn:3:31339:40920:99561,CCOC1(CNC(=O)c2ccnc(C=CCn3cc(-c4ncc5n4CCCC5)nn3)c2F)CS(=O)(=O)C1,BPXNJFSKVHFJJB-UHFFFAOYSA-N
|
| 30373 |
+
rxn:3:31939:47746:134932,CN(C)c1ccnc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5CC[C@](C)(F)CC5)cn(C5CC5)c4c3F)nn2)c1,VEVZDLAMOZBOEP-SKQFQOMMSA-N
|
| 30374 |
+
rxn:3:31939:49518:68083,CCOC1(CNC(=O)C2C(c3cccc(-n4cc(-c5cc(N(C)C)ccn5)nn4)c3)C2(F)F)CCOC1,LPDTVJGTLMMAGC-UHFFFAOYSA-N
|
| 30375 |
+
rxn:3:32277:40554:89878,Cc1cnc(-c2cn(CC=Cc3cncc(C(=O)N[C@H]4CC[C@H](OCCC(C)C)CC4)c3)nn2)cc1F,ACBHGISWFGZPPR-RQNOJGIXSA-N
|
| 30376 |
+
rxn:3:32592:59446:67951,CN(C)c1cc(-c2cn([C@H]3C[C@@H](C(=O)NC4(c5ccc6c(c5)OC(F)(F)O6)CCCC4)C3)nn2)ccn1,OPWAWJCYSXKUFA-IZAXUBKRSA-N
|
| 30377 |
+
rxn:3:33027:47746:110191,Cc1sc2ncnc(SCc3cn(-c4c(F)cc5c(=O)c(C(=O)NC6CCCCCC6)cn(C6CC6)c5c4F)nn3)c2c1C,JEFKHXXYFGPYLF-UHFFFAOYSA-N
|
| 30378 |
+
rxn:3:33027:47746:81702,Cc1sc2ncnc(SCc3cn(-c4c(F)cc5c(=O)c(C(=O)N[C@@H]6CCCCC[C@@H]6C)cn(C6CC6)c5c4F)nn3)c2c1C,PLZSCVRKRJBZJR-UPCLLVRISA-N
|
| 30379 |
+
rxn:3:37440:49499:82322,CCn1ncc(C)c1-c1cccc(-c2cn(C[C@H]3C[C@H](C(=O)NCC4(OC)CC(F)(F)C4)C3)nn2)c1,HPBFXGAMYTYIHT-XGAFWQRZSA-N
|
| 30380 |
+
rxn:3:37650:61524:99561,CCOC1(CNC(=O)C2(n3cc(CCSc4ncc5nccnc5n4)nn3)CCCC2)CS(=O)(=O)C1,GSQOQPIWVFVTNQ-UHFFFAOYSA-N
|
| 30381 |
+
rxn:3:37853:59446:73141,CN(C)c1ccc(-c2cn([C@H]3C[C@@H](C(=O)NC(C)(C)C(F)(F)C4CCC4)C3)nn2)s1,UGTOAKCXSMZZKI-OTVXOJSOSA-N
|
| 30382 |
+
rxn:3:38152:60078:76797,CC(C)OC1(CNC(=O)c2cc3n(CCn4cc(C5(N(C)C)CC5)nn4)ccn3n2)CS(=O)(=O)C1,JZZRLNCBKJYGBG-UHFFFAOYSA-N
|
| 30383 |
+
rxn:3:39288:42180:82322,CCN(C)Cc1cn(CC#Cc2ccc(C(=O)NCC3(OC)CC(F)(F)C3)o2)nn1,NAJNQPODOPBGDK-UHFFFAOYSA-N
|
| 30384 |
+
rxn:3:39288:42180:96700,CCN(C)Cc1cn(CC#Cc2ccc(C(=O)NC3CC4(C3)CC(F)(F)C4)o2)nn1,YCCXIDJPCUFMGQ-UHFFFAOYSA-N
|
| 30385 |
+
rxn:3:39288:43162:103836,CCN(C)Cc1cn(CC#Cc2ccc(F)c(CC(=O)N[C@H]3CC[C@@H](C)CC3)c2)nn1,VGWZIQDEILRASS-RVWIWJKTSA-N
|
| 30386 |
+
rxn:3:39288:43162:96306,CCN(C)Cc1cn(CC#Cc2ccc(F)c(CC(=O)N[C@H]3CC[C@H](C)CC3)c2)nn1,VGWZIQDEILRASS-XGAFWQRZSA-N
|
| 30387 |
+
rxn:3:39390:40919:128534,C=CCCCc1cn(CC=Cc2cc(C(=O)NC3CC[Si]4(CCCC4)CC3)c(F)cn2)nn1,JVNXSDBIWZRQBZ-UHFFFAOYSA-N
|
| 30388 |
+
rxn:3:40003:16782:67806,Cc1c(-c2cn(CC=Cc3ccc(C(=O)N[C@@H]4CCCC(F)(F)C4)s3)nn2)cnn1CCN(C)C,JTCRBMPWVCVUDR-GOSISDBHSA-N
|
| 30389 |
+
rxn:3:40007:8620:68652,C[C@@H](NC(=O)c1cscc1C=CCn1cc(C2(N(C)C)CCC(F)(F)CC2)nn1)c1cccc2c1OCO2,IQMITQZOTQWOMX-GOSISDBHSA-N
|
| 30390 |
+
rxn:3:40057:16782:65860,Cc1c(-c2cn(CC=Cc3ccc(C(=O)NC4(C)CCCC4(F)F)o3)nn2)cnn1CCN(C)C,IWADTCFLIQQILC-UHFFFAOYSA-N
|
| 30391 |
+
rxn:3:40057:16782:67806,Cc1c(-c2cn(CC=Cc3ccc(C(=O)N[C@@H]4CCCC(F)(F)C4)o3)nn2)cnn1CCN(C)C,MNHZYLJFLLJMDQ-GOSISDBHSA-N
|
| 30392 |
+
rxn:3:40295:8620:69083,CC(NC(=O)Cc1cc(C=CCn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)cs1)C1COC1,WSRGIFTWQNUIAU-UHFFFAOYSA-N
|
| 30393 |
+
rxn:3:40554:16782:67806,Cc1c(-c2cn(CC=Cc3cncc(C(=O)N[C@@H]4CCCC(F)(F)C4)c3)nn2)cnn1CCN(C)C,FTFZYYQUDUYAIJ-OAQYLSRUSA-N
|
| 30394 |
+
rxn:3:40556:16782:67806,Cc1c(-c2cn(CC=Cc3cccnc3C(=O)N[C@@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,GHHILTVDMLGFML-HXUWFJFHSA-N
|
| 30395 |
+
rxn:3:40558:16782:65860,Cc1c(-c2cn(CC=Cc3cc(C(=O)NC4(C)CCCC4(F)F)ccn3)nn2)cnn1CCN(C)C,XFMZXNKKQDCJQK-UHFFFAOYSA-N
|
| 30396 |
+
rxn:3:40558:16782:67806,Cc1c(-c2cn(CC=Cc3cc(C(=O)N[C@@H]4CCCC(F)(F)C4)ccn3)nn2)cnn1CCN(C)C,ZXRJPXYIJIZWFI-OAQYLSRUSA-N
|
| 30397 |
+
rxn:3:40558:8620:69401,COCCCNC(=O)c1ccnc(C=CCn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)c1,BBGWHBSAFZGJJK-UHFFFAOYSA-N
|
| 30398 |
+
rxn:3:40558:8620:69498,CC1CC1CCCNC(=O)c1ccnc(C=CCn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)c1,NKXICWSNHDFSSZ-UHFFFAOYSA-N
|
| 30399 |
+
rxn:3:40561:16782:67806,Cc1c(-c2cn(CC=Cc3ncccc3C(=O)N[C@@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,BDTQHYJPLYMRIA-LJQANCHMSA-N
|
| 30400 |
+
rxn:3:40563:16782:67806,Cc1c(-c2cn(CC=Cc3cnccc3C(=O)N[C@@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,JIRKFHBYEHJTNX-HXUWFJFHSA-N
|
| 30401 |
+
rxn:3:40754:13895:69859,CCCCC[C@H]1CC[C@@H](c2cn(CC=Cc3ccc(C(=O)N[C@H]4CC[Se]C4)c(F)c3)nn2)CC1,OHQGRBASIQLLSH-WWNPGLIZSA-N
|
| 30402 |
+
rxn:3:40919:2259:66077,CCN1CCC(c2cn(CC=Cc3cc(C(=O)NC4(c5ccc(C)c(OC)c5)CC4)c(F)cn3)nn2)CC1,UEIRPMRRVYKGJK-UHFFFAOYSA-N
|
| 30403 |
+
rxn:3:40919:28143:66966,CC[C@H](NC(=O)c1cc(C=CCn2cc([C@H]3CC[C@@H](N(C)C)CC3)nn2)ncc1F)c1ccc(OC)cc1,BITUNOMTKMIBFY-AIUHUKMKSA-N
|
| 30404 |
+
rxn:3:40919:28143:69546,CC[C@H](NC(=O)c1cc(C=CCn2cc([C@H]3CC[C@@H](N(C)C)CC3)nn2)ncc1F)c1ccc(C)cc1C,XNSLAFDMZJFEPI-SAYMBASOSA-N
|
| 30405 |
+
rxn:3:40920:28143:69546,CC[C@H](NC(=O)c1ccnc(C=CCn2cc([C@H]3CC[C@@H](N(C)C)CC3)nn2)c1F)c1ccc(C)cc1C,IUUZDZGYMXUHSW-ZEVJAHDQSA-N
|
| 30406 |
+
rxn:3:40920:8:99561,CCOC1(CNC(=O)c2ccnc(C=CCn3cc(-c4ccc(N5CCCC5)nn4)nn3)c2F)CS(=O)(=O)C1,AYPLHQNGXYPIFS-UHFFFAOYSA-N
|
| 30407 |
+
rxn:3:40920:9:99561,CCOC1(CNC(=O)c2ccnc(C=CCn3cc(-c4ccc(N5CCCCC5)nn4)nn3)c2F)CS(=O)(=O)C1,RIPKQELJYCKXJJ-UHFFFAOYSA-N
|
| 30408 |
+
rxn:3:41037:28143:69425,C[C@@H](NC(=O)Cc1cc(C=CCn2cc([C@H]3CC[C@@H](N(C)C)CC3)nn2)ccc1F)[C@H]1CCCO1,NDQLMHUABJBDRL-BQTILPNVSA-N
|
| 30409 |
+
rxn:3:41042:28143:69425,C[C@@H](NC(=O)Cc1ccc(C=CCn2cc([C@H]3CC[C@@H](N(C)C)CC3)nn2)cc1F)[C@H]1CCCO1,KCXXURUYPYTSFR-BQTILPNVSA-N
|
| 30410 |
+
rxn:3:41046:39600:66699,C[C@H](NC(=O)Cc1cc(F)ccc1C=CCn1cc(CN2CCCC(N(C)C)C2)nn1)c1ccsc1,KSIBDFZXDBEQNP-DQUNLGLBSA-N
|
| 30411 |
+
rxn:3:41076:16782:69627,Cc1c(-c2cn(CC=Cc3cc(F)c(F)cc3C(=O)NC[C@@H]3CCCO3)nn2)cnn1CCN(C)C,RMZAKCRFDDLNCG-IBGZPJMESA-N
|
| 30412 |
+
rxn:3:41093:462:83031,COc1ccc(C=CCn2cc(-c3cnn(CC(C)C)c3)nn2)cc1C(=O)NC1C(F)(F)C12CCC2,SGLASJIUOHPZGB-UHFFFAOYSA-N
|
| 30413 |
+
rxn:3:41093:5:83031,CCN(CC)c1ccc(-c2cn(CC=Cc3ccc(OC)c(C(=O)NC4C(F)(F)C45CCC5)c3)nn2)nn1,SVKOVZYFEQQECN-UHFFFAOYSA-N
|
| 30414 |
+
rxn:3:41093:5:86559,CCN(CC)c1ccc(-c2cn(CC=Cc3ccc(OC)c(C(=O)NC4C(F)(F)C45CC5)c3)nn2)nn1,UOGUDUDADKJRFB-UHFFFAOYSA-N
|
| 30415 |
+
rxn:3:41093:8:86559,COc1ccc(C=CCn2cc(-c3ccc(N4CCCC4)nn3)nn2)cc1C(=O)NC1C(F)(F)C12CC2,QTZODJQBJIZBPT-UHFFFAOYSA-N
|
| 30416 |
+
rxn:3:41093:9:86559,COc1ccc(C=CCn2cc(-c3ccc(N4CCCCC4)nn3)nn2)cc1C(=O)NC1C(F)(F)C12CC2,BXADCASMNLTJJK-UHFFFAOYSA-N
|
| 30417 |
+
rxn:3:41101:462:83031,COc1c(C=CCn2cc(-c3cnn(CC(C)C)c3)nn2)cccc1C(=O)NC1C(F)(F)C12CCC2,PQEYQVAMSJGXOQ-UHFFFAOYSA-N
|
| 30418 |
+
rxn:3:41107:462:83031,COc1cc(C=CCn2cc(-c3cnn(CC(C)C)c3)nn2)ccc1C(=O)NC1C(F)(F)C12CCC2,GXTGWCSCGSHXGT-UHFFFAOYSA-N
|
| 30419 |
+
rxn:3:41111:5:86559,CCN(CC)c1ccc(-c2cn(CC=Cc3cccc(OC)c3C(=O)NC3C(F)(F)C34CC4)nn2)nn1,SCDIZSDDLCPHNL-UHFFFAOYSA-N
|
| 30420 |
+
rxn:3:41111:8:86559,COc1cccc(C=CCn2cc(-c3ccc(N4CCCC4)nn3)nn2)c1C(=O)NC1C(F)(F)C12CC2,HQTMHNYKSAORBA-UHFFFAOYSA-N
|
| 30421 |
+
rxn:3:42180:16782:67806,Cc1c(-c2cn(CC#Cc3ccc(C(=O)N[C@@H]4CCCC(F)(F)C4)o3)nn2)cnn1CCN(C)C,YCDYLFKDRTVDRC-GOSISDBHSA-N
|
| 30422 |
+
rxn:3:42427:16782:67806,Cc1c(-c2cn(CC#Cc3cccc(C(=O)N[C@@H]4CCCC(F)(F)C4)c3)nn2)cnn1CCN(C)C,BNFJPANPEPQKNP-JOCHJYFZSA-N
|
| 30423 |
+
rxn:3:42428:16782:65860,Cc1c(-c2cn(CC#Cc3ccc(C(=O)NC4(C)CCCC4(F)F)cc3)nn2)cnn1CCN(C)C,LCIJFFKZXICDPJ-UHFFFAOYSA-N
|
| 30424 |
+
rxn:3:42428:16782:67806,Cc1c(-c2cn(CC#Cc3ccc(C(=O)N[C@@H]4CCCC(F)(F)C4)cc3)nn2)cnn1CCN(C)C,ZUBGIACAKQIVBE-JOCHJYFZSA-N
|
| 30425 |
+
rxn:3:42683:16782:67806,Cc1c(-c2cn(CC#Cc3cc(C(=O)N[C@@H]4CCCC(F)(F)C4)ccn3)nn2)cnn1CCN(C)C,PVFIJOONMPSXNX-OAQYLSRUSA-N
|
| 30426 |
+
rxn:3:42685:16782:67806,Cc1c(-c2cn(CC#Cc3ccc(C(=O)N[C@@H]4CCCC(F)(F)C4)cn3)nn2)cnn1CCN(C)C,YFLTVIKYHRGCLX-OAQYLSRUSA-N
|
| 30427 |
+
rxn:3:43040:6404:65938,CN1CCCN(c2ncc(-c3cn(CC#Cc4cnc(F)c(C(=O)NCC5COCCS(=O)(=O)C5)c4)nn3)cn2)CC1,FDLDBKCPYPLSGK-UHFFFAOYSA-N
|
| 30428 |
+
rxn:3:43040:6404:66276,CN1CCCN(c2ncc(-c3cn(CC#Cc4cnc(F)c(C(=O)NC[C@]56C[C@H]5CS(=O)(=O)C6)c4)nn3)cn2)CC1,CYKXPDZHYNNRFZ-IDISGSTGSA-N
|
| 30429 |
+
rxn:3:43044:7852:68255,CC(C)c1ccc(NC(=O)c2ccnc(C#CCn3cc(C4(N(C)C)CCN(C)CC4)nn3)c2F)s1,JOMDWJQBLVYBNC-UHFFFAOYSA-N
|
| 30430 |
+
rxn:3:43044:7852:69054,C[C@H](Cc1ccsc1)NC(=O)c1ccnc(C#CCn2cc(C3(N(C)C)CCN(C)CC3)nn2)c1F,FJMJKTFTNVCXFT-LJQANCHMSA-N
|
| 30431 |
+
rxn:3:43162:28143:69969,CN(C)[C@H]1CC[C@@H](c2cn(CC#Cc3ccc(F)c(CC(=O)N[C@H]4CC45CC5)c3)nn2)CC1,MFVINSKRRYSKOP-LEEZEASISA-N
|
| 30432 |
+
rxn:3:43163:28143:66061,C[C@@H](NC(=O)Cc1ccc(F)c(C#CCn2cc([C@H]3CC[C@@H](N(C)C)CC3)nn2)c1)C1CC(F)C1,DHMKCLIFXSFTMJ-WSCGPLRUSA-N
|
| 30433 |
+
rxn:3:43163:28143:67748,COC[C@@H](C)NC(=O)Cc1ccc(F)c(C#CCn2cc([C@H]3CC[C@@H](N(C)C)CC3)nn2)c1,ZZMNMMGHWHXEHX-UZKOGDIHSA-N
|
| 30434 |
+
rxn:3:43163:28143:68455,C[C@@H](Cc1ccsc1)NC(=O)Cc1ccc(F)c(C#CCn2cc([C@H]3CC[C@@H](N(C)C)CC3)nn2)c1,KRYMVFKBZHBXOY-GRYUFTJMSA-N
|
| 30435 |
+
rxn:3:43163:28143:69054,C[C@H](Cc1ccsc1)NC(=O)Cc1ccc(F)c(C#CCn2cc([C@H]3CC[C@@H](N(C)C)CC3)nn2)c1,KRYMVFKBZHBXOY-XRODADMRSA-N
|
| 30436 |
+
rxn:3:43163:28143:69401,COCCCNC(=O)Cc1ccc(F)c(C#CCn2cc([C@H]3CC[C@@H](N(C)C)CC3)nn2)c1,AEMYTTYKPDVDAY-GRGXKFILSA-N
|
| 30437 |
+
rxn:3:43169:28143:69054,C[C@H](Cc1ccsc1)NC(=O)Cc1ccc(F)cc1C#CCn1cc([C@H]2CC[C@@H](N(C)C)CC2)nn1,ZZGABKZZZFWLDH-MZEQIWSPSA-N
|
| 30438 |
+
rxn:3:43170:28143:69054,C[C@H](Cc1ccsc1)NC(=O)Cc1cc(F)ccc1C#CCn1cc([C@H]2CC[C@@H](N(C)C)CC2)nn1,QBUJTYMJDWGROP-WIOYSNFSSA-N
|
| 30439 |
+
rxn:3:43200:16782:67490,Cc1c(-c2cn(CC#Cc3cc(F)c(F)cc3C(=O)NC[C@H]3CCCO3)nn2)cnn1CCN(C)C,YJIXWGHUPNCWRX-LJQANCHMSA-N
|
| 30440 |
+
rxn:3:43458:28143:66970,CCOCC(C(=O)N[C@H](c1ccc2c(c1)OCO2)c1cccs1)n1cc([C@H]2CC[C@@H](N(C)C)CC2)nn1,YYQYBZLNXYZNKS-YDFDESBHSA-N
|
| 30441 |
+
rxn:3:45142:6404:66355,CN1CCCN(c2ncc(-c3cn(-c4ccc(OCC(=O)NC5CCC6(CC5)CS(=O)(=O)C6)cc4)nn3)cn2)CC1,KNIXWVOGOFPPGR-UHFFFAOYSA-N
|
| 30442 |
+
rxn:3:46053:16782:67806,Cc1c(-c2cn(CCC=Cc3cncc(C(=O)N[C@@H]4CCCC(F)(F)C4)c3)nn2)cnn1CCN(C)C,RNRDGHIIRHPWAH-JOCHJYFZSA-N
|
| 30443 |
+
rxn:3:46056:16782:66152,Cc1c(-c2cn(CCC=Cc3cc(C(=O)NC4CCC(F)(F)C4)ccn3)nn2)cnn1CCN(C)C,SOWNMYLRXZAPAO-UHFFFAOYSA-N
|
| 30444 |
+
rxn:3:46056:16782:67806,Cc1c(-c2cn(CCC=Cc3cc(C(=O)N[C@@H]4CCCC(F)(F)C4)ccn3)nn2)cnn1CCN(C)C,WOWJNVQICTWUMX-JOCHJYFZSA-N
|
| 30445 |
+
rxn:3:46057:16782:67806,Cc1c(-c2cn(CCC=Cc3cccc(C(=O)N[C@@H]4CCCC(F)(F)C4)n3)nn2)cnn1CCN(C)C,KXTZQIMZDVPLEG-OAQYLSRUSA-N
|
| 30446 |
+
rxn:3:46057:8620:69083,CC(NC(=O)c1cccc(C=CCCn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)n1)C1COC1,IEFOFGMFAWZOAI-UHFFFAOYSA-N
|
| 30447 |
+
rxn:3:46058:16782:67806,Cc1c(-c2cn(CCC=Cc3ccc(C(=O)N[C@@H]4CCCC(F)(F)C4)cn3)nn2)cnn1CCN(C)C,NPQNQPIPUFXPST-JOCHJYFZSA-N
|
| 30448 |
+
rxn:3:46343:6404:66276,CN1CCCN(c2ncc(-c3cn(CCC=Cc4nccc(C(=O)NC[C@]56C[C@H]5CS(=O)(=O)C6)c4F)nn3)cn2)CC1,AKBVHSXXFKKWDI-KMRXNPHXSA-N
|
| 30449 |
+
rxn:3:46343:7852:69936,Cc1csc(C)c1NC(=O)c1ccnc(C=CCCn2cc(C3(N(C)C)CCN(C)CC3)nn2)c1F,SRHSALLRJHUWNJ-UHFFFAOYSA-N
|
| 30450 |
+
rxn:3:46431:16782:69859,Cc1c(-c2cn(CCC=Cc3ccc(F)c(C(=O)N[C@H]4CC[Se]C4)c3F)nn2)cnn1CCN(C)C,PEVKLRSIMMUDAL-IBGZPJMESA-N
|
| 30451 |
+
rxn:3:47746:6404:68925,CN1CCCN(c2ncc(-c3cn(-c4c(F)cc5c(=O)c(C(=O)N[C@H]6C[C@@H]6C6CC6)cn(C6CC6)c5c4F)nn3)cn2)CC1,MDUZBMCBBMTKON-YKSBVNFPSA-N
|
| 30452 |
+
rxn:3:48101:23143:68777,CCN1CC(c2cn(-c3cccc(OCC(=O)NC4(COC)CC(C)(C)C4)c3)nn2)C1,QTOJMSXJESLWTC-UHFFFAOYSA-N
|
| 30453 |
+
rxn:3:50436:6404:66645,CN1CCCN(c2ncc(-c3cn(CC4C(c5ccc(C(=O)NC[C@H]6C[C@H](S(C)(=O)=O)C6)cn5)C4(F)F)nn3)cn2)CC1,WBHKHRWUUGZUDX-RYMLETNASA-N
|
| 30454 |
+
rxn:3:53167:6402:70016,Cc1ccc(C(=O)NCCOC2CCS(=O)(=O)CC2)c(-n2cc(-c3cnc(N4CCCCCC4)nc3)nn2)c1,PCHLCAFKRCGITL-UHFFFAOYSA-N
|
| 30455 |
+
rxn:3:53319:28143:66915,C[C@H](NC(=O)CC1C(c2cccc(-n3cc([C@H]4CC[C@@H](N(C)C)CC4)nn3)c2)C1(F)F)C1(C)CC1,GULDLBJPSRIBNH-XCIXZXSKSA-N
|
| 30456 |
+
rxn:3:53631:6404:66645,CN1CCCN(c2ncc(-c3cn(CCC4C(c5ccsc5C(=O)NC[C@H]5C[C@H](S(C)(=O)=O)C5)C4(F)F)nn3)cn2)CC1,GMWVREBHOGLSGK-LBOCBGFGSA-N
|
| 30457 |
+
rxn:3:53780:6404:66355,CN1CCCN(c2ncc(-c3cn(CCOc4cccnc4C(=O)NC4CCC5(CC4)CS(=O)(=O)C5)nn3)cn2)CC1,NGFLYCNWPAPWSO-UHFFFAOYSA-N
|
| 30458 |
+
rxn:3:5478:49156:86268,COCC(C(=O)N[C@@H](c1ccc2c(c1)OCO2)c1cccs1)n1cc(CN2CCC(N(C)C)C2)nn1,OZOWMYJNNIVRDS-IMQCZEGASA-N
|
| 30459 |
+
rxn:3:55610:6404:66355,CN1CCCN(c2ncc(-c3cn(CC4CC4c4ccccc4C(=O)NC4CCC5(CC4)CS(=O)(=O)C5)nn3)cn2)CC1,QJYFFORBCLJBHK-UHFFFAOYSA-N
|
| 30460 |
+
rxn:3:5564:52488:111610,Cn1ncc2c(-c3cn(CCC4CC4c4cccc(C(=O)NC5(COS(=O)(=O)[O-])CCCC5)n4)nn3)ncnc21,RKOKNOBVRZKOMH-UHFFFAOYSA-M
|
| 30461 |
+
rxn:3:5564:59852:92547,Cn1ncc2c(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)Nc6ccc(OS(=O)(=O)F)cc6)C5)C4)nn3)ncnc21,DWKZYUZYMDLRKP-DVLOMUPFSA-N
|
| 30462 |
+
rxn:3:55884:6404:66355,CN1CCCN(c2ncc(-c3cn(CC4CC4c4ccc(C(=O)NC5CCC6(CC5)CS(=O)(=O)C6)cn4)nn3)cn2)CC1,LVNXELAQDATODS-UHFFFAOYSA-N
|
| 30463 |
+
rxn:3:57885:7852:66394,CC(NC(=O)c1ccnc(CCCn2cc(C3(N(C)C)CCN(C)CC3)nn2)c1)C1CC1(F)F,NTAFQWCKFVZWQH-UHFFFAOYSA-N
|
| 30464 |
+
rxn:3:58103:6404:65938,CN1CCCN(c2ncc(-c3cn(CCCc4c(F)cccc4C(=O)NCC4COCCS(=O)(=O)C4)nn3)cn2)CC1,WJJUYFKAZDEXDQ-UHFFFAOYSA-N
|
| 30465 |
+
rxn:3:58230:7852:68255,CC(C)c1ccc(NC(=O)c2ccnc(CCCn3cc(C4(N(C)C)CCN(C)CC4)nn3)c2F)s1,CHICBAHGQVHRIE-UHFFFAOYSA-N
|
| 30466 |
+
rxn:3:5864:59446:73141,CN(C)c1ccnc2ccc(-c3cn([C@H]4C[C@@H](C(=O)NC(C)(C)C(F)(F)C5CCC5)C4)nn3)cc12,AIGFOLPIZUNPOG-IZAXUBKRSA-N
|
| 30467 |
+
rxn:3:5864:61929:69509,CCOC1(CNC(=O)[C@@H](C)n2cc(-c3ccc4nccc(N(C)C)c4c3)nn2)CCC(F)(F)CC1,UJFDRULXVILJHZ-QGZVFWFLSA-N
|
| 30468 |
+
rxn:3:59446:16782:67555,Cc1c(-c2cn([C@H]3C[C@@H](C(=O)NC4(c5ccccc5)CCC(F)(F)C4)C3)nn2)cnn1CCN(C)C,DDIAPPPBDWWXQB-UMCUANKMSA-N
|
| 30469 |
+
rxn:3:59818:28143:67390,CCC[C@H](NC(=O)c1cc(-n2cc([C@H]3CC[C@@H](N(C)C)CC3)nn2)ccc1F)c1c(C)cc(C)cc1C,FCMANFBNPBDRSB-OBTVHEKISA-N
|
| 30470 |
+
rxn:3:59852:2623:66021,Cn1ccc2c(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCC6(CS(C)(=O)=O)CCCC6)C5)C4)nn3)cccc21,RZCJJCFUGUSEIN-TXUOUNKJSA-N
|
| 30471 |
+
rxn:3:59852:3937:65938,Cn1ccc2c(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCC6COCCS(=O)(=O)C6)C5)C4)nn3)ccnc21,UEZXIHILIOJFHL-IYZJKTGWSA-N
|
| 30472 |
+
rxn:3:59852:395:66276,Cc1c(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC[C@]56C[C@H]5CS(=O)(=O)C6)C4)C3)nn2)ccc2nccn12,ZIDXLAGRKWBQBI-BYPUBYQFSA-N
|
| 30473 |
+
rxn:3:59852:444:66355,Cc1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCC6(CC5)CS(=O)(=O)C6)C4)C3)nn2)c2cc(F)ccc2n1,UFZYUQBQSAZQKX-ZORXERLGSA-N
|
| 30474 |
+
rxn:3:59852:455:70016,Cc1cccc2c(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCCOC6CCS(=O)(=O)CC6)C5)C4)nn3)ccnc12,MXRYXLPTJABJLH-TXUOUNKJSA-N
|
| 30475 |
+
rxn:3:59852:5102:68563,N#Cc1cn(Cc2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCCCC(F)C5)C4)C3)nn2)c2ccc(F)cc12,AQZFCMKJWFECOT-GXCHQDDVSA-N
|
| 30476 |
+
rxn:3:59852:5468:66021,Cn1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5(CS(C)(=O)=O)CCCC5)C4)C3)nn2)c(C#N)n1,HCRCFLWKKOVISZ-GNPFLCDCSA-N
|
| 30477 |
+
rxn:3:59852:6136:68090,CCn1ncc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)Nc5cccc(CS(=O)(=O)F)c5)C4)C3)nn2)c1C1CCC1,OXDAKACXGHFFHY-QEHQQCFTSA-N
|
| 30478 |
+
rxn:3:59852:6219:66355,CN(CCC#N)c1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCC6(CC5)CS(=O)(=O)C6)C4)C3)nn2)ncn1,JOJNLSBKBRDJNJ-ZJBJZFMFSA-N
|
| 30479 |
+
rxn:3:59852:6436:70016,Cn1nccc1-c1csc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCCOC5CCS(=O)(=O)CC5)C4)C3)nn2)c1,OOJMRLINUJHVJH-XFOQRXRMSA-N
|
| 30480 |
+
rxn:3:59852:6629:66355,O=C(NC1CCC2(CC1)CS(=O)(=O)C2)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(Cn4ccn5nc(-c6cnccn6)cc45)nn3)C2)CCO1,FVQUVLGYHPJXMJ-RDCUFOFQSA-N
|
| 30481 |
+
rxn:3:59852:6643:70016,Cc1cc2n(Cc3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCCOC6CCS(=O)(=O)CC6)C5)C4)nn3)ccn2n1,ZPLLGWFYABHDBO-HDOOXHBUSA-N
|
| 30482 |
+
rxn:3:59852:6823:66355,N#Cc1cn(Cc2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCC6(CC5)CS(=O)(=O)C6)C4)C3)nn2)nc1-c1cccs1,SNIFRSFLLYSKLF-XSEHGGBNSA-N
|
| 30483 |
+
rxn:3:59852:7001:70016,N#Cc1cccnc1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NCCOC4CCS(=O)(=O)CC4)C3)C2)nn1,DSLQDRGEGWJQJM-MRBOTJLVSA-N
|
| 30484 |
+
rxn:3:59852:7159:66355,O=C(NC1CCC2(CC1)CS(=O)(=O)C2)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cncc5c4cnn5-c4ncccn4)nn3)C2)CCO1,SWBGATLIYXUZEY-YPRDFXDESA-N
|
| 30485 |
+
rxn:3:59852:7344:66849,N#Cc1cccc(F)c1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NC4CC(F)c5ccccc54)C3)C2)nn1,PBWOHXLRKNRPOQ-PIXKURBPSA-N
|
| 30486 |
+
rxn:3:59852:7698:69013,Cn1ccc2c(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NC6(C7CCS(=O)(=O)C7)CCCCC6)C5)C4)nn3)ncnc21,PMPBHRAKQVOAAL-FESYXVGYSA-N
|
| 30487 |
+
rxn:3:60078:6404:70016,CN1CCCN(c2ncc(-c3cn(CCn4ccn5nc(C(=O)NCCOC6CCS(=O)(=O)CC6)cc45)nn3)cn2)CC1,MJHAZIYPWLTQBS-UHFFFAOYSA-N
|
| 30488 |
+
rxn:3:60368:28143:67390,CCC[C@H](NC(=O)c1cccc(-n2cc([C@H]3CC[C@@H](N(C)C)CC3)nn2)c1F)c1c(C)cc(C)cc1C,GPJZKOVGEXXZCU-ARNLJNQMSA-N
|
| 30489 |
+
rxn:3:60637:6402:70339,COc1ccc(-n2cc(-c3cnc(N4CCCCCC4)nc3)nn2)cc1C(=O)N[C@@H]1CC[C@H](CS(=O)(=O)c2ccccc2)C1,RIGPJMGQZNCPCH-UKILVPOCSA-N
|
| 30490 |
+
rxn:3:60637:6404:70339,COc1ccc(-n2cc(-c3cnc(N4CCCN(C)CC4)nc3)nn2)cc1C(=O)N[C@@H]1CC[C@H](CS(=O)(=O)c2ccccc2)C1,WSWNNVTXLXGASE-UKILVPOCSA-N
|
| 30491 |
+
rxn:3:6120:42567:83860,CC(C)n1ncc(-c2cn(CC#Cc3cnc(C(=O)Nc4cccc(OS(=O)(=O)F)c4)nc3)nn2)c1C1CCCCC1,DNJMWWAAKSCOSQ-UHFFFAOYSA-N
|
| 30492 |
+
rxn:3:6124:60078:120322,Cn1ncc(-c2cn(CCn3ccn4nc(C(=O)NCC5(CS(=O)(=O)F)CC5)cc34)nn2)c1C1CCCC1,OVYUCDJCBKUUIC-UHFFFAOYSA-N
|
| 30493 |
+
rxn:3:6215:60078:99561,CCOC1(CNC(=O)c2cc3n(CCn4cc(-c5cc(N6CCCC6)ncn5)nn4)ccn3n2)CS(=O)(=O)C1,IWVVELBKJPZGMD-UHFFFAOYSA-N
|
| 30494 |
+
rxn:3:63674:6402:69106,COc1ccc2c(c1)C(F)(F)CCC2NC(=O)c1c(N2CC(Cn3cc(-c4cnc(N5CCCCCC5)nc4)nn3)CC2=O)sc(C)c1C,HAJJXGPDMCXONL-UHFFFAOYSA-N
|
| 30495 |
+
rxn:3:6397:49937:83551,Cc1ccc(S(=O)(=O)ONC(=O)c2[nH]ncc2C2C(Cn3cc(-c4cnc(N5CCCCC5)nc4)nn3)C2(F)F)cc1,NJEAWSIWCZFSCY-UHFFFAOYSA-N
|
| 30496 |
+
rxn:3:6402:50032:83551,Cc1ccc(S(=O)(=O)ONC(=O)c2ncsc2C2C(Cn3cc(-c4cnc(N5CCCCCC5)nc4)nn3)C2(F)F)cc1,NFSKVHRSCTVAQJ-UHFFFAOYSA-N
|
| 30497 |
+
rxn:3:6402:65401:151783,O=C(Nc1ccc(OS(=O)(=O)F)c2ccccc12)c1cncc(N2CC(Cn3cc(-c4cnc(N5CCCCCC5)nc4)nn3)CC2=O)n1,RCENNMRYLZMNCK-UHFFFAOYSA-N
|
| 30498 |
+
rxn:3:6403:48101:99561,CCOC1(CNC(=O)COc2cccc(-n3cc(-c4cnc(N5CCN(C)CC5)nc4)nn3)c2)CS(=O)(=O)C1,BLYRMBXQQVQXAX-UHFFFAOYSA-N
|
| 30499 |
+
rxn:3:6404:45142:76797,CC(C)OC1(CNC(=O)COc2ccc(-n3cc(-c4cnc(N5CCCN(C)CC5)nc4)nn3)cc2)CS(=O)(=O)C1,CMZXKPTXPAIYEA-UHFFFAOYSA-N
|
| 30500 |
+
rxn:3:6404:45142:99561,CCOC1(CNC(=O)COc2ccc(-n3cc(-c4cnc(N5CCCN(C)CC5)nc4)nn3)cc2)CS(=O)(=O)C1,GIVWGOHXEAPMKR-UHFFFAOYSA-N
|
| 30501 |
+
rxn:3:6404:49937:104218,CN1CCCN(c2ncc(-c3cn(CC4C(c5cn[nH]c5C(=O)NCc5ccc6c(c5)S(=O)(=O)CC6)C4(F)F)nn3)cn2)CC1,JXEGOQCJODDIDC-UHFFFAOYSA-N
|
| 30502 |
+
rxn:3:6404:59446:102757,CN1CCCN(c2ncc(-c3cn([C@H]4C[C@@H](C(=O)NCCS(=O)(=O)c5ccc6c(c5)OCCO6)C4)nn3)cn2)CC1,ACOSIALBAHPXLS-TYKWCNGQSA-N
|
| 30503 |
+
rxn:3:6404:59446:85381,CN1CCCN(c2ncc(-c3cn([C@H]4C[C@@H](C(=O)NCCCS(=O)(=O)c5ccc6c(c5)CCO6)C4)nn3)cn2)CC1,FEQZKCVLXOTLQW-DKXQDJALSA-N
|
| 30504 |
+
rxn:3:6404:60078:112826,CN1CCCN(c2ncc(-c3cn(CCn4ccn5nc(C(=O)NCCC6(C)CS(=O)(=O)C6)cc45)nn3)cn2)CC1,XIKBWJJKRDFELU-UHFFFAOYSA-N
|
| 30505 |
+
rxn:3:6404:60637:99561,CCOC1(CNC(=O)c2cc(-n3cc(-c4cnc(N5CCCN(C)CC5)nc4)nn3)ccc2OC)CS(=O)(=O)C1,GRQORPPGOAHGSE-UHFFFAOYSA-N
|
| 30506 |
+
rxn:3:6405:65512:111610,N#Cc1ncc(-c2cn(CC3CC(=O)N(c4ncc(C(=O)NC5(COS(=O)(=O)[O-])CCCC5)o4)C3)nn2)cn1,NDEWMRRQVYWSTM-UHFFFAOYSA-M
|
| 30507 |
+
rxn:3:64276:17887:66355,CCCc1ccnc(-n2nccc2-c2cn(CC3CC(=O)N([C@H]4CC[C@@H](C(=O)NC5CCC6(CC5)CS(=O)(=O)C6)CC4)C3)nn2)c1,SYISBGZYUMLGNN-MYPGXYCASA-N
|
| 30508 |
+
rxn:3:6449:40754:66436,C=CCCn1cc(-c2cn(CC=Cc3ccc(C(=O)N[C@H]4CCCC[C@H](OC)C4)c(F)c3)nn2)cn1,LKFCOYXCUMDXPE-GOTSBHOMSA-N
|
| 30509 |
+
rxn:3:6450:42680:75953,C=C(C)Cn1cc(-c2cn(CC#Cc3ccc(C(=O)NCC4(S(=O)(=O)CC)CCOCC4)nc3)nn2)cn1,DZVYSTAXUIBRGH-UHFFFAOYSA-N
|
| 30510 |
+
rxn:3:6450:60078:116862,C=C(C)Cn1cc(-c2cn(CCn3ccn4nc(C(=O)NCC5(S(C)(=O)=O)CCCCCC5)cc34)nn2)cn1,CLEOWSGBZVAFEY-UHFFFAOYSA-N
|
| 30511 |
+
rxn:3:6450:60928:75953,C=C(C)Cn1cc(-c2cn(Cc3ncccc3C(=O)NCC3(S(=O)(=O)CC)CCOCC3)nn2)cn1,IFYPCPHUSBXFMO-UHFFFAOYSA-N
|
| 30512 |
+
rxn:3:65364:6404:66355,CN1CCCN(c2ncc(-c3cn(CC4CC(=O)N(c5cccnc5C(=O)NC5CCC6(CC5)CS(=O)(=O)C6)C4)nn3)cn2)CC1,GHIXYEYYGRDNTA-UHFFFAOYSA-N
|
| 30513 |
+
rxn:3:65401:17887:66355,CCCc1ccnc(-n2nccc2-c2cn(CC3CC(=O)N(c4cncc(C(=O)NC5CCC6(CC5)CS(=O)(=O)C6)n4)C3)nn2)c1,LNAVNIMEISNARE-UHFFFAOYSA-N
|
| 30514 |
+
rxn:3:65549:6404:66355,CN1CCCN(c2ncc(-c3cn(CC4CC(=O)N(c5nccnc5C(=O)NC5CCC6(CC5)CS(=O)(=O)C6)C4)nn3)cn2)CC1,WPQLUCFMPJRPHR-UHFFFAOYSA-N
|
| 30515 |
+
rxn:3:6605:59842:99561,CCOC1(CNC(=O)[C@H]2CC=C[C@H](n3cc(Cn4ccn5ncc(-c6ccncc6)c45)nn3)C2)CS(=O)(=O)C1,GIHASSZHJMJSGJ-UNMCSNQZSA-N
|
| 30516 |
+
rxn:3:7012:56299:92636,CCS(=O)(=O)C1(CNC(=O)c2ccnc(C3CC3Cn3cc(Cn4nccn4)nn3)c2F)CC2(CC2)C1,FAZFEAXFEIWCLU-UHFFFAOYSA-N
|
| 30517 |
+
rxn:3:7063:46343:87208,COCCONC(=O)c1ccnc(C=CCCn2cc(C34CCCN3CCC4)nn2)c1F,GVJYUJQFQHYRSE-UHFFFAOYSA-N
|
| 30518 |
+
rxn:3:709:43162:101027,CC=Cc1cn(CC#Cc2ccc(F)c(CC(=O)N[C@H]3CC[C@H](C(C)C)CC3)c2)nn1,YLBXLRLQPHTRSZ-AQYVVDRMSA-N
|
| 30519 |
+
rxn:3:709:43162:112656,CC=Cc1cn(CC#Cc2ccc(F)c(CC(=O)N[C@H]3CC[C@@H](C(C)C)CC3)c2)nn1,YLBXLRLQPHTRSZ-GRGXKFILSA-N
|
| 30520 |
+
rxn:3:7141:49937:111610,Cn1ncc2c(-c3cn(CC4C(c5cn[nH]c5C(=O)NC5(COS(=O)(=O)[O-])CCCC5)C4(F)F)nn3)cncc21,JHSUTDZWOHLYHC-UHFFFAOYSA-M
|
| 30521 |
+
rxn:3:8:60078:99561,CCOC1(CNC(=O)c2cc3n(CCn4cc(-c5ccc(N6CCCC6)nn5)nn4)ccn3n2)CS(=O)(=O)C1,MWXKAWXLRRZJED-UHFFFAOYSA-N
|
| 30522 |
+
rxn:3:8620:42683:108690,COCONC(=O)c1ccnc(C#CCn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)c1,KJDFRKBOLXWOSK-UHFFFAOYSA-N
|
| 30523 |
+
rxn:3:8634:42683:81327,COCC(F)(F)CNC(=O)c1ccnc(C#CCn2cc(C3(N(C)C)CCC3)nn2)c1,IPKHOJJPSANUDI-UHFFFAOYSA-N
|
| 30524 |
+
rxn:3:8721:60078:79124,Cc1nsc(C)c1-c1cn(CCn2ccn3nc(C(=O)NCC4(S(=O)(=O)C5CCCC5)COC4)cc23)nn1,QHBCSKYXOOMWGS-UHFFFAOYSA-N
|
| 30525 |
+
rxn:3:8781:40919:140847,C=CCc1cn(CC=Cc2cc(C(=O)N[C@H](c3ccc4c(c3)OCO4)C3CCCCC3)c(F)cn2)nn1,PDBUPRKVFIUDGJ-MHZLTWQESA-N
|
| 30526 |
+
rxn:3:8781:40919:66969,C=CCc1cn(CC=Cc2cc(C(=O)N[C@@H](c3ccc4c(c3)OCO4)C3CCCCC3)c(F)cn2)nn1,PDBUPRKVFIUDGJ-HHHXNRCGSA-N
|
| 30527 |
+
rxn:3:9:40920:99561,CCOC1(CNC(=O)c2ccnc(C=CCn3cc(-c4ccc(N5CCCCC5)nn4)nn3)c2F)CS(=O)(=O)C1,RIPKQELJYCKXJJ-UHFFFAOYSA-N
|
| 30528 |
+
rxn:3:9:51071:83551,CSc1ncc(C2C(Cn3cc(-c4ccc(N5CCCCC5)nn4)nn3)C2(F)F)c(C(=O)NOS(=O)(=O)c2ccc(C)cc2)n1,JJLOLSXWDBKNPO-UHFFFAOYSA-N
|
| 30529 |
+
rxn:3:9:51071:83860,CSc1ncc(C2C(Cn3cc(-c4ccc(N5CCCCC5)nn4)nn3)C2(F)F)c(C(=O)Nc2cccc(OS(=O)(=O)F)c2)n1,FRFCHHNWQVEGDH-UHFFFAOYSA-N
|
| 30530 |
+
rxn:3:9:56520:158384,CSc1ncc(C2CC2Cn2cc(-c3ccc(N4CCCCC4)nn3)nn2)c(C(=O)Nc2ccc3cc(OS(=O)(=O)F)ccc3c2)n1,ZAFWTMVJPVQAEG-UHFFFAOYSA-N
|