Added 100 molecules from epoch 17726 for Q9BY41
Browse files- Q9BY41_molecules.csv +100 -0
Q9BY41_molecules.csv
CHANGED
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@@ -36877,3 +36877,103 @@ F8315BC97EF1EAE3_0F7DA9D72F137E16_6038_UN,CC5CCN(CC(NC(=O)C1(CCOCC1)C2=C(C=CC=N2
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| 36877 |
FAF7F9F63A97CF9D_8D31173399DC3DD5_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NCC3=C(N2CCN(C)CC2)N=CC=C3,SUFDOFGKHNOMRL-UHFFFAOYSA-N
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| 36878 |
FB0406F177B20F06_C952D4D542B2B5D5_6038_UN,CC(C)C(NC(C1=CN=C(N(C)C)O1)=O)C2=N[NH]N=N2,PQNFAGKJRCRXBY-UHFFFAOYSA-N
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| 36879 |
FE17888B2E7D1E25_9B11D203649A73AB_6029_UN,FC1(CN(C1)[S](C3=CC2=C(CCCCC2O)C=C3)(=O)=O)C4=CN=CC=C4,PVHVTOSHCIKITA-UHFFFAOYSA-N
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| 36877 |
FAF7F9F63A97CF9D_8D31173399DC3DD5_6041_UN,F[S](=O)(=O)C1=C(C=CC=N1)NCC3=C(N2CCN(C)CC2)N=CC=C3,SUFDOFGKHNOMRL-UHFFFAOYSA-N
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| 36878 |
FB0406F177B20F06_C952D4D542B2B5D5_6038_UN,CC(C)C(NC(C1=CN=C(N(C)C)O1)=O)C2=N[NH]N=N2,PQNFAGKJRCRXBY-UHFFFAOYSA-N
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| 36879 |
FE17888B2E7D1E25_9B11D203649A73AB_6029_UN,FC1(CN(C1)[S](C3=CC2=C(CCCCC2O)C=C3)(=O)=O)C4=CN=CC=C4,PVHVTOSHCIKITA-UHFFFAOYSA-N
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| 36880 |
+
rxn:3:12049:52486:85101,Cc1cc(C)c(NC(=O)c2ccnc(C3CC3CCn3cc(C4(N(C)C)CCCCC4)nn3)c2)c(S(=O)(=O)[O-])c1,MQCAPWCJNPEMCH-UHFFFAOYSA-M
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| 36881 |
+
rxn:3:12155:61523:126272,CCC(C)c1ccc(C(NC(=O)C2(n3cc(C4CC(N(C)C)C4)nn3)CCC2)OC)cc1,NNZABRFCOIKROZ-UHFFFAOYSA-N
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| 36882 |
+
rxn:3:14351:42685:129094,CC(NC(=O)c1ccc(C#CCn2cc(C34CC(C#N)(C3)C4)nn2)nc1)C1CC(F)C1,REVOLTYNIIWVRR-UHFFFAOYSA-N
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| 36883 |
+
rxn:3:14351:42685:94254,CC1CC(F)(CNC(=O)c2ccc(C#CCn3cc(C45CC(C#N)(C4)C5)nn3)nc2)C1,WCHAETOLZLMWRB-UHFFFAOYSA-N
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| 36884 |
+
rxn:3:14351:64961:95472,N#CC12CC(c3cn(CC4CC(=O)N(c5ncc(C(=O)Nc6cccc(OB=O)c6)cn5)C4)nn3)(C1)C2,BPMUFANZRHWIML-UHFFFAOYSA-N
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| 36885 |
+
rxn:3:15479:60588:66394,CC(C)C[C@H](C(=O)NC(C)C1CC1(F)F)n1cc(Cn2cc(C#N)c(C3CCCC3)n2)nn1,IIJBNCGBTXBFMQ-RGKRWLCDSA-N
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| 36886 |
+
rxn:3:17625:61523:150457,O=C(Nc1ccc(S(=O)(=O)[O-])c2ccccc12)C1(n2cc(-c3cc(C4CCC4)n(C4CCSCC4)n3)nn2)CCC1,JQTGZEKZYUBMKA-UHFFFAOYSA-M
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| 36887 |
+
rxn:3:18587:40856:85101,Cc1cc(C)c(NC(=O)C2(n3cc(-c4nn(C5CCC5)cc4C4CCC4)nn3)CC2)c(S(=O)(=O)[O-])c1,NRGGEPZSILZWQH-UHFFFAOYSA-M
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| 36888 |
+
rxn:3:18591:45123:85101,Cc1cc(C)c(NC(=O)C(C)Oc2ccc(-n3cc(-c4nn(C5CCCCC5)cc4C4CCC4)nn3)cc2)c(S(=O)(=O)[O-])c1,GPVNFHPAVYYXLZ-UHFFFAOYSA-M
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| 36889 |
+
rxn:3:18591:62479:150457,CC(C)C(C(=O)Nc1ccc(S(=O)(=O)[O-])c2ccccc12)n1cc(-c2nn(C3CCCCC3)cc2C2CCC2)nn1,LRROJGCCGJTQIH-UHFFFAOYSA-M
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| 36890 |
+
rxn:3:18593:61523:150457,O=C(Nc1ccc(S(=O)(=O)[O-])c2ccccc12)C1(n2cc(-c3nn(C4CCSCC4)cc3C3CCC3)nn2)CCC1,ZCUZOQWGYOMBGS-UHFFFAOYSA-M
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| 36891 |
+
rxn:3:1912:62828:95472,CN(C)C(C)(C)c1cn(CC2CC(=O)N([C@H](C(=O)Nc3cccc(OB=O)c3)C3CC3)C2)nn1,KEBLSYUPNDSFJV-FXMQYSIJSA-N
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| 36892 |
+
rxn:3:19197:59842:129974,CC(C1CC1)n1cc(-c2cn([C@H]3C=CC[C@H](C(=O)NCc4ccc(CS(=O)(=O)F)cc4)C3)nn2)cn1,WAEVWVNGBNXZOK-ZONZVIQZSA-N
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| 36893 |
+
rxn:3:19201:43417:116323,CC(C1CCCCC1)n1cc(-c2cn(C3C=CCC(C(=O)Nc4ccc(S(=O)(=O)[O-])cc4)C3)nn2)cn1,GOXVYROTXUDVAA-UHFFFAOYSA-M
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| 36894 |
+
rxn:3:19568:43417:92547,Cc1cc(-c2cn(C3C=CCC(C(=O)Nc4ccc(OS(=O)(=O)F)cc4)C3)nn2)n(C(C)C2CCC2)n1,HPPXDMPAQQTSBP-UHFFFAOYSA-N
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| 36895 |
+
rxn:3:21267:62824:73689,CC(C)c1cn(CC2CC(=O)N([C@@H](C(=O)Nc3cccc4c(=O)ccoc34)C3=CCC=CC3)C2)nn1,JTBVJPCAZMSJJD-IXXGTQFESA-N
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| 36896 |
+
rxn:3:2259:62662:95472,CCN1CCC(c2cn(CC3CC(=O)N([C@H](C(=O)Nc4cccc(OB=O)c4)C(C)C)C3)nn2)CC1,VBAQNLVYHNJKSY-LUTIACGYSA-N
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| 36897 |
+
rxn:3:23143:43235:90515,CCN1CC(c2cn(CC#Cc3ccc(OC)cc3C(=O)N[C@H]3CC[C@@H](CS(=O)(=O)F)CC3)nn2)C1,WFFSLWFOGZRJKZ-RVWIWJKTSA-N
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| 36898 |
+
rxn:3:23146:60054:95472,CC(C)CN1CC(c2cn(CC34CC(C(=O)Nc5cccc(OB=O)c5)(C3)C4)nn2)C1,PUEIXZFEDUWEET-UHFFFAOYSA-N
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| 36899 |
+
rxn:3:23188:62746:95472,C[C@@H](C(=O)Nc1cccc(OB=O)c1)N1CC(Cn2cc(CC3(C#N)CC(F)(F)C3)nn2)CC1=O,XSUHCSQYCNPRAC-MLCCFXAWSA-N
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| 36900 |
+
rxn:3:23733:60340:120322,Cc1cc(C(=O)NCC2(CS(=O)(=O)F)CC2)ccc1-n1cc([C@H]2C[C@H](n3cc([Si](C)(C)C)nn3)C2)nn1,MRFGFAIXWDIFSE-WGSAOQKQSA-N
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| 36901 |
+
rxn:3:23733:61524:68704,CCS(=O)(=O)c1ccc(NC(=O)C2(n3cc([C@H]4C[C@H](n5cc([Si](C)(C)C)nn5)C4)nn3)CCCC2)c(C)c1,FBGQVWABTXSFFI-MXVIHJGJSA-N
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| 36902 |
+
rxn:3:23734:45154:81395,CC1(CNC(=O)Cc2ccc(-n3cc([C@H]4C[C@@H](n5cc([Si](C)(C)C)nn5)C4)nn3)cc2)CS(=O)(=O)C1,WPUOUROZBMTMNY-PUZFROQSSA-N
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| 36903 |
+
rxn:3:23775:61523:81275,Cc1c(NC(=O)C2(n3cc(C4(n5cc(F)cn5)CCCC4)nn3)CCC2)cccc1S(=O)(=O)C1CC1,CZTVSNAPSKKWHH-UHFFFAOYSA-N
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| 36904 |
+
rxn:3:23819:62645:151783,CC(C(=O)Nc1ccc(OS(=O)(=O)F)c2ccccc12)N1CC(Cn2cc(C3(n4ccnn4)CCSCC3)nn2)CC1=O,IZVQKBWDNBNIME-UHFFFAOYSA-N
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| 36905 |
+
rxn:3:24161:62645:84946,CC(C(=O)NCc1ccc(OS(=O)(=O)F)cc1)N1CC(Cn2cc(C3CCC(N(C)C)CC3)nn2)CC1=O,HUYBDMDOLZJTFI-UHFFFAOYSA-N
|
| 36906 |
+
rxn:3:2796:62662:95472,CCC1(c2cn(CC3CC(=O)N([C@H](C(=O)Nc4cccc(OB=O)c4)C(C)C)C3)nn2)CCC1,SRCXROXNXQJFEN-UGNFMNBCSA-N
|
| 36907 |
+
rxn:3:28725:42685:112853,CC(NC(=O)c1ccc(C#CCn2cc([C@H]3C[C@@H](C#N)C3)nn2)nc1)C12CC(F)(C1)C2,XSPHPUQFXXLUOI-KUOVHKPDSA-N
|
| 36908 |
+
rxn:3:31795:43417:70525,CC(C)[C@@H](C#CC1CC1)NC(=O)C1CC=CC(n2cc(-c3cc(F)cnc3C#N)nn2)C1,CNIFSXWHIHEHOH-CNBHCMJISA-N
|
| 36909 |
+
rxn:3:31795:62824:112819,N#Cc1ncc(F)cc1-c1cn(CC2CC(=O)N([C@@H](C(=O)Nc3cccc(C4CC4)c3)C3=CCC=CC3)C2)nn1,KEDACJJOYBNDIP-CFLNXXHPSA-N
|
| 36910 |
+
rxn:3:31795:62824:77365,N#Cc1ncc(F)cc1-c1cn(CC2CC(=O)N([C@@H](C(=O)Nc3ccc4c(=O)ccoc4c3)C3=CCC=CC3)C2)nn1,UTTTUZRRDSFNFT-DMIDXSHCSA-N
|
| 36911 |
+
rxn:3:31795:62824:98516,N#Cc1ncc(F)cc1-c1cn(CC2CC(=O)N([C@@H](C(=O)Nc3ccc4c(c3)OCO4)C3=CCC=CC3)C2)nn1,YOUGBKIARRBOIM-ICRYVCAISA-N
|
| 36912 |
+
rxn:3:32192:62824:95472,Cc1cc(F)cc(-c2cn(CC3CC(=O)N([C@@H](C(=O)Nc4cccc(OB=O)c4)C4=CCC=CC4)C3)nn2)n1,ZSFCJEKFPKCYJC-WQGFSJIWSA-N
|
| 36913 |
+
rxn:3:32405:62824:95472,Cc1cc(F)cc(C)c1-c1cn(CC2CC(=O)N([C@@H](C(=O)Nc3cccc(OB=O)c3)C3=CCC=CC3)C2)nn1,ZRESDIIPHZVVPX-VLEDXSGQSA-N
|
| 36914 |
+
rxn:3:3748:42567:95472,CC1(C#N)CCCN(CCc2cn(CC#Cc3cnc(C(=O)Nc4cccc(OB=O)c4)nc3)nn2)C1,JOBNCXSSSRIVGH-UHFFFAOYSA-N
|
| 36915 |
+
rxn:3:37861:43417:70525,CC(C)[C@@H](C#CC1CC1)NC(=O)C1CC=CC(n2cc(-c3c(F)cc(C#N)cc3F)nn2)C1,BXIARGWKMJTFDU-OBFZPWGMSA-N
|
| 36916 |
+
rxn:3:37861:49485:70525,CC(C)[C@@H](C#CC1CC1)NC(=O)C1CC(n2cc(-c3c(F)cc(C#N)cc3F)nn2)C1,MSMFHWOQYYANKJ-LBXVMSDZSA-N
|
| 36917 |
+
rxn:3:37861:60588:90671,CC(C)C[C@H](C(=O)NC(c1ccccc1)C1CCCCCC1)n1cc(-c2c(F)cc(C#N)cc2F)nn1,LLMAWLITPPDBTC-HSLSYKTRSA-N
|
| 36918 |
+
rxn:3:38152:60588:90515,CC(C)C[C@H](C(=O)N[C@H]1CC[C@@H](CS(=O)(=O)F)CC1)n1cc(C2(N(C)C)CC2)nn1,IJVBUADYBTWAIF-IXDOHACOSA-N
|
| 36919 |
+
rxn:3:38152:61928:90515,CC(C)[C@H](C(=O)N[C@H]1CC[C@@H](CS(=O)(=O)F)CC1)n1cc(C2(N(C)C)CC2)nn1,FANCNIKQIIWGCF-HLLBOEOZSA-N
|
| 36920 |
+
rxn:3:38152:62284:139274,CC(C)C[C@@H](C(=O)N[C@@H]1CC[C@H](CS(=O)(=O)F)C1)n1cc(C2(N(C)C)CC2)nn1,GGJLKAWVEFEMAZ-XHSDSOJGSA-N
|
| 36921 |
+
rxn:3:38152:62746:85563,C[C@@H](C(=O)NCC1(C)CCS(=O)(=O)CC1)N1CC(Cn2cc(C3(N(C)C)CC3)nn2)CC1=O,KTLSCOQYAOUMPU-BHWOMJMDSA-N
|
| 36922 |
+
rxn:3:38411:59842:136308,CC1(c2cn([C@H]3C=CC[C@H](C(=O)NCC4(c5ccco5)CS(=O)(=O)C4)C3)nn2)CC1,FEPMAQZMCVMNBQ-HOTGVXAUSA-N
|
| 36923 |
+
rxn:3:38411:60054:108916,CCS(=O)(=O)c1ccc(OC)c(NC(=O)C23CC(Cn4cc(C5(C)CC5)nn4)(C2)C3)c1,XDSRTDUFQWVWOU-UHFFFAOYSA-N
|
| 36924 |
+
rxn:3:3886:62646:95472,CN1CC(c2cn(CC3CC(=O)N(C(C(=O)Nc4cccc(OB=O)c4)C(C)(C)C)C3)nn2)C1,MSNGZPWXQOVPEJ-UHFFFAOYSA-N
|
| 36925 |
+
rxn:3:39534:42686:85563,CC(C)C1(c2cn(CC#Cc3ncccc3C(=O)NCC3(C)CCS(=O)(=O)CC3)nn2)CC1,KKTRAWWKTJFHOE-UHFFFAOYSA-N
|
| 36926 |
+
rxn:3:61928:23136:84646,CC(C)[C@H](C(=O)N[C@H]1CCC[C@H](F)C1)n1cc(C2(c3cn(C)c4ccc(C#N)cc34)CC2)nn1,PZJFTLZFDLBBDG-AXHZCLLHSA-N
|
| 36927 |
+
rxn:3:6257:49499:116323,CN1CCC(N(C)c2cc(-c3cn(C[C@H]4C[C@H](C(=O)Nc5ccc(S(=O)(=O)[O-])cc5)C4)nn3)ncn2)CC1,WHEGMDDWGTYUAF-IYARVYRRSA-M
|
| 36928 |
+
rxn:3:6257:49499:150457,CN1CCC(N(C)c2cc(-c3cn(C[C@H]4C[C@H](C(=O)Nc5ccc(S(=O)(=O)[O-])c6ccccc56)C4)nn3)ncn2)CC1,VAEMQNDSUCKUJP-MXVIHJGJSA-M
|
| 36929 |
+
rxn:3:6257:59446:116323,CN1CCC(N(C)c2cc(-c3cn([C@H]4C[C@@H](C(=O)Nc5ccc(S(=O)(=O)[O-])cc5)C4)nn3)ncn2)CC1,OUHSOFNBRRSIAO-UWUNEBHHSA-M
|
| 36930 |
+
rxn:3:6257:59842:150457,CN1CCC(N(C)c2cc(-c3cn([C@H]4C=CC[C@H](C(=O)Nc5ccc(S(=O)(=O)[O-])c6ccccc56)C4)nn3)ncn2)CC1,YPHSZMWUSXGRQS-UNMCSNQZSA-M
|
| 36931 |
+
rxn:3:62662:39534:140472,CC(C)[C@@H](C(=O)NC1CCC(CS(=O)(=O)F)CC1)N1CC(Cn2cc(C3(C(C)C)CC3)nn2)CC1=O,DANFUDFHRWJFNY-ZNHUPSQZSA-N
|
| 36932 |
+
rxn:3:62662:8634:139274,CC(C)[C@@H](C(=O)N[C@@H]1CC[C@H](CS(=O)(=O)F)C1)N1CC(Cn2cc(C3(N(C)C)CCC3)nn2)CC1=O,XGKUSKPUZDPPKG-AEZQTUKVSA-N
|
| 36933 |
+
rxn:3:62737:8634:134358,CC[C@@H](C(=O)NC(C)=[Se])N1CC(Cn2cc(C3(N(C)C)CCC3)nn2)CC1=O,FQQLALPKTCLLGR-LOACHALJSA-N
|
| 36934 |
+
rxn:3:62746:7852:112568,C[C@@H](C(=O)Nc1ccc2c(c1)OCCS2(=O)=O)N1CC(Cn2cc(C3(N(C)C)CCN(C)CC3)nn2)CC1=O,XYEWBJXQSITLRI-OYKVQYDMSA-N
|
| 36935 |
+
rxn:3:62746:7852:124780,C[C@@H](C(=O)Nc1ccc2c(c1)S(=O)(=O)CO2)N1CC(Cn2cc(C3(N(C)C)CCN(C)CC3)nn2)CC1=O,WZTLPEWRXJLRRM-ZENAZSQFSA-N
|
| 36936 |
+
rxn:3:62762:7049:89075,Cc1cc(C)cc(C(C(=O)Nc2ccc(S(=O)(=O)[O-])cc2C)N2CC(Cn3cc(-c4cccnc4N4CCCCCC4)nn3)CC2=O)c1,POIGJMGSIKBTLM-UHFFFAOYSA-M
|
| 36937 |
+
rxn:3:62781:28340:95472,CC(C)C(C)(C)c1cn(CC2CC(=O)N(C(C(=O)Nc3cccc(OB=O)c3)C3CC3)C2)nn1,ALLBXDPTUQAAOE-UHFFFAOYSA-N
|
| 36938 |
+
rxn:3:62824:18841:95472,Cc1cc(C)n(Cc2cn(CC3CC(=O)N([C@@H](C(=O)Nc4cccc(OB=O)c4)C4=CCC=CC4)C3)nn2)n1,HPTIOJCFJFTUOF-NBXNUCLWSA-N
|
| 36939 |
+
rxn:3:62824:23815:95472,CC(C)(c1cn(CC2CC(=O)N([C@@H](C(=O)Nc3cccc(OB=O)c3)C3=CCC=CC3)C2)nn1)n1ccnn1,HPGOFQAESKOFLU-VCUSLETLSA-N
|
| 36940 |
+
rxn:3:62824:7715:114260,CC(C)(C)c1nnc(-c2cn(CC3CC(=O)N([C@@H](C(=O)Nc4ccc(S(=O)(=O)F)cc4)C4=CCC=CC4)C3)nn2)s1,SADUCAXBZCAFJU-IRCUZVAFSA-N
|
| 36941 |
+
rxn:3:6403:43417:111015,CN1CCN(c2ncc(-c3cn(C4C=CCC(C(=O)Nc5cccc6c5OCCS6(=O)=O)C4)nn3)cn2)CC1,QPDYMDDMEQJBQM-UHFFFAOYSA-N
|
| 36942 |
+
rxn:3:6403:43417:133195,CN1CCN(c2ncc(-c3cn(C4C=CCC(C(=O)Nc5ccc6c(c5)CCS6(=O)=O)C4)nn3)cn2)CC1,UIZGCDFAEKAHLX-UHFFFAOYSA-N
|
| 36943 |
+
rxn:3:6403:43417:168103,CN1CCN(c2ncc(-c3cn(C4C=CCC(C(=O)Nc5ccc6ccc(S(=O)(=O)[O-])cc6c5)C4)nn3)cn2)CC1,WTUDKSUCQATCBJ-UHFFFAOYSA-M
|
| 36944 |
+
rxn:3:6403:59842:146278,CN1CCN(c2ncc(-c3cn([C@H]4C=CC[C@H](C(=O)Nc5ccc6cc(S(=O)(=O)[O-])ccc6c5)C4)nn3)cn2)CC1,LMFHUSSGBDSUDF-URXFXBBRSA-M
|
| 36945 |
+
rxn:3:6404:43417:112568,CN1CCCN(c2ncc(-c3cn(C4C=CCC(C(=O)Nc5ccc6c(c5)OCCS6(=O)=O)C4)nn3)cn2)CC1,VRJPQUIDGWVQQJ-UHFFFAOYSA-N
|
| 36946 |
+
rxn:3:6404:43417:124780,CN1CCCN(c2ncc(-c3cn(C4C=CCC(C(=O)Nc5ccc6c(c5)S(=O)(=O)CO6)C4)nn3)cn2)CC1,VWMDCIOXXNLRKF-UHFFFAOYSA-N
|
| 36947 |
+
rxn:3:6404:43417:168103,CN1CCCN(c2ncc(-c3cn(C4C=CCC(C(=O)Nc5ccc6ccc(S(=O)(=O)[O-])cc6c5)C4)nn3)cn2)CC1,IYXVLAHDIWIFEN-UHFFFAOYSA-M
|
| 36948 |
+
rxn:3:6404:49499:116323,CN1CCCN(c2ncc(-c3cn(C[C@H]4C[C@H](C(=O)Nc5ccc(S(=O)(=O)[O-])cc5)C4)nn3)cn2)CC1,BXLXEYORQHEWNG-IYARVYRRSA-M
|
| 36949 |
+
rxn:3:6404:49499:150620,CN1CCCN(c2ncc(-c3cn(C[C@H]4C[C@H](C(=O)Nc5ccc6c(c5)Oc5ccccc5S6(=O)=O)C4)nn3)cn2)CC1,CYGSIVPOPXZMQW-MEMLXQNLSA-N
|
| 36950 |
+
rxn:3:6404:49499:168103,CN1CCCN(c2ncc(-c3cn(C[C@H]4C[C@H](C(=O)Nc5ccc6ccc(S(=O)(=O)[O-])cc6c5)C4)nn3)cn2)CC1,YSKIMBNZZKWWHU-XYWHTSSQSA-M
|
| 36951 |
+
rxn:3:6404:59842:146278,CN1CCCN(c2ncc(-c3cn([C@H]4C=CC[C@H](C(=O)Nc5ccc6cc(S(=O)(=O)[O-])ccc6c5)C4)nn3)cn2)CC1,OPLBQCGBZVCWFE-DHLKQENFSA-M
|
| 36952 |
+
rxn:3:6404:59842:150457,CN1CCCN(c2ncc(-c3cn([C@H]4C=CC[C@H](C(=O)Nc5ccc(S(=O)(=O)[O-])c6ccccc56)C4)nn3)cn2)CC1,FQPXJOBVWJRNMM-UNMCSNQZSA-M
|
| 36953 |
+
rxn:3:6595:60588:104944,CC(C)C[C@H](C(=O)NC12CC(F)(C1)C2)n1cc(Cn2ccn3nc(C4CC4)c(C#N)c23)nn1,NBUWQBABLMULLH-WDGBRCNXSA-N
|
| 36954 |
+
rxn:3:6827:60588:85613,CC(C)C[C@H](C(=O)NC1(C23CC(F)(C2)C3)CC1)n1cc(Cn2cc(C#N)c(-c3ccccn3)n2)nn1,QMNBWWJXERECMY-BURHJUHKSA-N
|
| 36955 |
+
rxn:3:6827:61928:115910,CC(C)[C@H](C(=O)NOCC1CCC(F)(F)CC1)n1cc(Cn2cc(C#N)c(-c3ccccn3)n2)nn1,VVDLXZBHGQKFCW-JOCHJYFZSA-N
|
| 36956 |
+
rxn:3:709:62824:99234,CC=Cc1cn(CC2CC(=O)N([C@@H](C(=O)Nc3ccc([Se]C)cc3)C3=CCC=CC3)C2)nn1,GJTKRHIOYRWHFQ-VCUSLETLSA-N
|
| 36957 |
+
rxn:3:7627:61928:82231,CC(C)[C@H](C(=O)Nc1c(C2CCCC2)cccc1C1CCCC1)n1cc(-c2ccc(F)cc2C#N)nn1,UFOUSTARPJJIHA-GDLZYMKVSA-N
|
| 36958 |
+
rxn:3:7660:43417:105874,CC1CC(C)C(F)C(NC(=O)C2CC=CC(n3cc(-c4cnccc4C#N)nn3)C2)C1,FDPRYDCKNMEBHM-UHFFFAOYSA-N
|
| 36959 |
+
rxn:3:7714:49937:75949,CC(C)c1nnc(-c2cn(CC3C(c4cn[nH]c4C(=O)Nc4ccc(OC5CCCCCCC5)cc4)C3(F)F)nn2)s1,HXWGFBJVFXSXIQ-UHFFFAOYSA-N
|
| 36960 |
+
rxn:3:7824:60588:124332,CC(C)C[C@H](C(=O)NC1CCCCC(F)(F)C1)n1cc(-c2ccc(C#N)c(C#N)c2)nn1,XAKDBJXBHWPWLN-VGAJERRHSA-N
|
| 36961 |
+
rxn:3:7824:61928:117595,CC(C)[C@H](C(=O)NC1CCCC(F)(F)CC1)n1cc(-c2ccc(C#N)c(C#N)c2)nn1,ULBZAUVRFUWHCF-ROPPNANJSA-N
|
| 36962 |
+
rxn:3:7824:61928:124332,CC(C)[C@H](C(=O)NC1CCCCC(F)(F)C1)n1cc(-c2ccc(C#N)c(C#N)c2)nn1,XMQUUXFKFXNXPU-ROPPNANJSA-N
|
| 36963 |
+
rxn:3:7824:61928:82060,CC(C)[C@H](C(=O)NOC1CCCC(F)(F)CC1)n1cc(-c2ccc(C#N)c(C#N)c2)nn1,MMCCNSKTOCQPJL-ROPPNANJSA-N
|
| 36964 |
+
rxn:3:7851:40856:136308,CN(C)C1(c2cn(C3(C(=O)NCC4(c5ccco5)CS(=O)(=O)C4)CC3)nn2)CCCC1,MVLGRXWYORDNAZ-UHFFFAOYSA-N
|
| 36965 |
+
rxn:3:7851:43044:124780,CN(C)C1(c2cn(CC#Cc3nccc(C(=O)Nc4ccc5c(c4)S(=O)(=O)CO5)c3F)nn2)CCCC1,NGPVODFFHOPLGN-UHFFFAOYSA-N
|
| 36966 |
+
rxn:3:7852:61928:120322,CC(C)[C@H](C(=O)NCC1(CS(=O)(=O)F)CC1)n1cc(C2(N(C)C)CCN(C)CC2)nn1,DVEZDIGGYRZICJ-QGZVFWFLSA-N
|
| 36967 |
+
rxn:3:7852:61928:90515,CC(C)[C@H](C(=O)N[C@H]1CC[C@@H](CS(=O)(=O)F)CC1)n1cc(C2(N(C)C)CCN(C)CC2)nn1,KPOXBRYEDGZBKW-WSTZPKSXSA-N
|
| 36968 |
+
rxn:3:8615:40556:95986,CC#CC1(F)CC(NC(=O)c2ncccc2C=CCn2cc(C(CC)N(C)C)nn2)C1,IMMDBWZTVLKYHQ-UHFFFAOYSA-N
|
| 36969 |
+
rxn:3:8620:53780:134358,CC(=[Se])NC(=O)c1ncccc1OCCn1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,JFHTUXZJSSFIQL-UHFFFAOYSA-N
|
| 36970 |
+
rxn:3:8634:43044:101181,CN(C)C1(c2cn(CC#Cc3nccc(C(=O)Nc4ccc5c(c4)S(=O)(=O)CCO5)c3F)nn2)CCC1,OPRAPSUPLJWNCE-UHFFFAOYSA-N
|
| 36971 |
+
rxn:3:8634:60588:120322,CC(C)C[C@H](C(=O)NCC1(CS(=O)(=O)F)CC1)n1cc(C2(N(C)C)CCC2)nn1,MGGLVMNJSIKJIH-OAHLLOKOSA-N
|
| 36972 |
+
rxn:3:8634:61928:120322,CC(C)[C@H](C(=O)NCC1(CS(=O)(=O)F)CC1)n1cc(C2(N(C)C)CCC2)nn1,MYAIDLBEFSZZLN-OAHLLOKOSA-N
|
| 36973 |
+
rxn:3:8634:61928:90515,CC(C)[C@H](C(=O)N[C@H]1CC[C@@H](CS(=O)(=O)F)CC1)n1cc(C2(N(C)C)CCC2)nn1,BKJGWJKQCYJEEO-SOLBZPMBSA-N
|
| 36974 |
+
rxn:3:8634:62284:90515,CC(C)C[C@@H](C(=O)N[C@H]1CC[C@@H](CS(=O)(=O)F)CC1)n1cc(C2(N(C)C)CCC2)nn1,HEDMNHQYRUWTAV-KSZLIROESA-N
|
| 36975 |
+
rxn:3:8634:62323:112703,CCOC1(CNC(=O)C(C)Cn2cc(C3(N(C)C)CCC3)nn2)CCS(=O)(=O)CC1,VGVPFMVXTWKCAR-UHFFFAOYSA-N
|
| 36976 |
+
rxn:3:8818:42684:70961,C[C@H](NC(=O)c1cccc(C#CCn2cc(C34CCC(F)(CC3)C4)nn2)n1)C12C3C4C5C3C1C5C42,OTAZUXPWQOVERO-RIVHBFPSSA-N
|
| 36977 |
+
rxn:3:8818:42685:102750,CC(NC(=O)c1ccc(C#CCn2cc(C34CCC(F)(CC3)C4)nn2)nc1)C12C3C4C5C3C1C5C42,DNHQQIZRALJURP-UHFFFAOYSA-N
|
| 36978 |
+
rxn:3:8818:42685:106065,C[C@@H](NC(=O)c1ccc(C#CCn2cc(C34CCC(F)(CC3)C4)nn2)nc1)C12C3C4C5C3C1C5C42,DNHQQIZRALJURP-BZWNORTDSA-N
|
| 36979 |
+
rxn:3:8818:42685:70961,C[C@H](NC(=O)c1ccc(C#CCn2cc(C34CCC(F)(CC3)C4)nn2)nc1)C12C3C4C5C3C1C5C42,DNHQQIZRALJURP-RIVHBFPSSA-N
|