smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(C)c(CC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c(=O)[n-]1 ZINC000031221137 1077329692 /nfs/dbraw/zinc/32/96/92/1077329692.db2.gz MDZHYDVNGLMVHH-UHFFFAOYSA-N -1 3 423.451 0.469 20 5 HCBDHM Cc1nc(C)c(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(=O)[n-]1 ZINC000032737889 1078066634 /nfs/dbraw/zinc/06/66/34/1078066634.db2.gz OYBDIZWBBSGCGV-UHFFFAOYSA-N -1 3 405.436 0.884 20 5 HCBDHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000033179679 1078197186 /nfs/dbraw/zinc/19/71/86/1078197186.db2.gz HFBWENFCLYUQDR-UHFFFAOYSA-N -1 3 412.200 0.436 20 5 HCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000442960910 1075329067 /nfs/dbraw/zinc/32/90/67/1075329067.db2.gz DFILLWLRAPHFNW-UHFFFAOYSA-N -1 3 405.795 0.829 20 5 HCBDHM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442963641 1075328908 /nfs/dbraw/zinc/32/89/08/1075328908.db2.gz GQCHLZQNLHVIHJ-UHFFFAOYSA-N -1 3 416.362 0.129 20 5 HCBDHM CCc1n[nH]c(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000442969102 1075325225 /nfs/dbraw/zinc/32/52/25/1075325225.db2.gz TYLOFFWEEGAZGS-UHFFFAOYSA-N -1 3 403.367 0.867 20 5 HCBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCCCN1CCN(CCO)CC1 ZINC000443262542 1075543405 /nfs/dbraw/zinc/54/34/05/1075543405.db2.gz NRKCUECPMSSJDM-UHFFFAOYSA-N -1 3 404.464 0.402 20 5 HCBDHM COC(=O)c1cc(S(=O)(=O)[N-]CCn2cc([N+](=O)[O-])cn2)c(C(=O)OC)s1 ZINC000443491191 1075859370 /nfs/dbraw/zinc/85/93/70/1075859370.db2.gz PXYBEGRLSDSAIY-UHFFFAOYSA-N -1 3 418.409 0.405 20 5 HCBDHM C[C@H](CN(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000460434419 1075883429 /nfs/dbraw/zinc/88/34/29/1075883429.db2.gz DMOIENIZJBBTHT-GFCCVEGCSA-N -1 3 424.487 0.284 20 5 HCBDHM C[C@H](CN(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1nnn[n-]1 ZINC000460434419 1075883427 /nfs/dbraw/zinc/88/34/27/1075883427.db2.gz DMOIENIZJBBTHT-GFCCVEGCSA-N -1 3 424.487 0.284 20 5 HCBDHM C[C@@H](CN(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000460434420 1075885185 /nfs/dbraw/zinc/88/51/85/1075885185.db2.gz DMOIENIZJBBTHT-LBPRGKRZSA-N -1 3 424.487 0.284 20 5 HCBDHM C[C@@H](CN(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1nnn[n-]1 ZINC000460434420 1075885183 /nfs/dbraw/zinc/88/51/83/1075885183.db2.gz DMOIENIZJBBTHT-LBPRGKRZSA-N -1 3 424.487 0.284 20 5 HCBDHM CCc1ncc(S(=O)(=O)[N-]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000460930981 1077308650 /nfs/dbraw/zinc/30/86/50/1077308650.db2.gz JQMXSZCACZLNDS-UHFFFAOYSA-N -1 3 420.494 0.871 20 5 HCBDHM CCc1ncc(S(=O)(=O)[N-]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000460939889 1077311649 /nfs/dbraw/zinc/31/16/49/1077311649.db2.gz TYCZULJIEPCCKS-UHFFFAOYSA-N -1 3 420.494 0.871 20 5 HCBDHM CN1CCN(C(=O)Cn2cc([N-]S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000462414603 1075386576 /nfs/dbraw/zinc/38/65/76/1075386576.db2.gz DXOGNNZRWUZORB-UHFFFAOYSA-N -1 3 422.467 0.507 20 5 HCBDHM CS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000494364831 1077513687 /nfs/dbraw/zinc/51/36/87/1077513687.db2.gz FWKGAMFWMQBGEI-UHFFFAOYSA-N -1 3 417.387 0.783 20 5 HCBDHM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000495325046 1077809748 /nfs/dbraw/zinc/80/97/48/1077809748.db2.gz BOGUGIZCDIURFF-UHFFFAOYSA-N -1 3 420.856 0.566 20 5 HCBDHM O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000497260146 1078181287 /nfs/dbraw/zinc/18/12/87/1078181287.db2.gz IPDDCDHAFWANPK-UHFFFAOYSA-N -1 3 407.346 0.933 20 5 HCBDHM O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000497260146 1078181274 /nfs/dbraw/zinc/18/12/74/1078181274.db2.gz IPDDCDHAFWANPK-UHFFFAOYSA-N -1 3 407.346 0.933 20 5 HCBDHM O=C(Cn1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cn1)N1CCOCC1 ZINC000499267016 1079125362 /nfs/dbraw/zinc/12/53/62/1079125362.db2.gz OXODXQLDJKZBNG-UHFFFAOYSA-N -1 3 423.451 0.635 20 5 HCBDHM COCCNC(=O)Cn1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000499287035 1079133164 /nfs/dbraw/zinc/13/31/64/1079133164.db2.gz OFSKVKCXSBYSJR-UHFFFAOYSA-N -1 3 411.440 0.538 20 5 HCBDHM NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000534797244 1074706364 /nfs/dbraw/zinc/70/63/64/1074706364.db2.gz JBMCXVNSQWQFOK-UHFFFAOYSA-N -1 3 406.420 0.910 20 5 HCBDHM Cn1c(=O)c2cc([N-]S(=O)(=O)CCc3ccccc3[N+](=O)[O-])cnc2n(C)c1=O ZINC000540695476 1075764205 /nfs/dbraw/zinc/76/42/05/1075764205.db2.gz SNDJLYDYGPOYDT-UHFFFAOYSA-N -1 3 419.419 0.525 20 5 HCBDHM CCOC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000540975977 1075816427 /nfs/dbraw/zinc/81/64/27/1075816427.db2.gz FPWYDMTZWMBXPW-UHFFFAOYSA-N -1 3 411.396 0.754 20 5 HCBDHM CCOC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[n-]n1 ZINC000540975977 1075816424 /nfs/dbraw/zinc/81/64/24/1075816424.db2.gz FPWYDMTZWMBXPW-UHFFFAOYSA-N -1 3 411.396 0.754 20 5 HCBDHM Cc1ncc(CNC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c(=O)[n-]1 ZINC000541354253 1075880216 /nfs/dbraw/zinc/88/02/16/1075880216.db2.gz BUFSJVCSUVVYQW-UHFFFAOYSA-N -1 3 403.351 0.815 20 5 HCBDHM Cn1ccnc1CN1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1=O ZINC000543050398 1080864490 /nfs/dbraw/zinc/86/44/90/1080864490.db2.gz QCQZYGKRBRDRMZ-CYBMUJFWSA-N -1 3 411.415 0.937 20 5 HCBDHM Cn1ccnc1CN1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1=O ZINC000543050402 1080864458 /nfs/dbraw/zinc/86/44/58/1080864458.db2.gz QCQZYGKRBRDRMZ-ZDUSSCGKSA-N -1 3 411.415 0.937 20 5 HCBDHM Cc1ncc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000543318836 1081108289 /nfs/dbraw/zinc/10/82/89/1081108289.db2.gz YFVYSXGEXKCIAB-HNNXBMFYSA-N -1 3 421.435 0.868 20 5 HCBDHM Cc1ncc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000543318837 1081109091 /nfs/dbraw/zinc/10/90/91/1081109091.db2.gz YFVYSXGEXKCIAB-OAHLLOKOSA-N -1 3 421.435 0.868 20 5 HCBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000543356092 1081133145 /nfs/dbraw/zinc/13/31/45/1081133145.db2.gz CJYGDMYZBPUNIH-UHFFFAOYSA-N -1 3 413.184 0.945 20 5 HCBDHM NS(=O)(=O)CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000549885188 1077243548 /nfs/dbraw/zinc/24/35/48/1077243548.db2.gz CYNKVMPWNSPDJP-UHFFFAOYSA-N -1 3 416.275 0.704 20 5 HCBDHM Cc1ncc(S(=O)(=O)[N-]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000549909787 1077258728 /nfs/dbraw/zinc/25/87/28/1077258728.db2.gz LIFPGFNGJADLNI-UHFFFAOYSA-N -1 3 406.467 0.617 20 5 HCBDHM CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000554361394 1080318421 /nfs/dbraw/zinc/31/84/21/1080318421.db2.gz XQKUXIALFYTGTM-NSHDSACASA-N -1 3 404.832 0.264 20 5 HCBDHM O=C(NCCCCN1CCN(c2ncccn2)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000557052791 1079102450 /nfs/dbraw/zinc/10/24/50/1079102450.db2.gz VYPDDPNHGZPTOR-UHFFFAOYSA-N -1 3 401.427 0.818 20 5 HCBDHM CNS(=O)(=O)c1cccc(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000603632221 1073584469 /nfs/dbraw/zinc/58/44/69/1073584469.db2.gz OHEGTWQMGLLROB-UHFFFAOYSA-N -1 3 415.449 0.990 20 5 HCBDHM O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000604489975 1073811967 /nfs/dbraw/zinc/81/19/67/1073811967.db2.gz CMGQZOOOEPLWSR-UHFFFAOYSA-N -1 3 407.346 0.687 20 5 HCBDHM O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000604489975 1073811964 /nfs/dbraw/zinc/81/19/64/1073811964.db2.gz CMGQZOOOEPLWSR-UHFFFAOYSA-N -1 3 407.346 0.687 20 5 HCBDHM O=C(CNC(=O)c1ccc([O-])cc1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000608985624 1074531336 /nfs/dbraw/zinc/53/13/36/1074531336.db2.gz WWPYBNAGTNPKOJ-UHFFFAOYSA-N -1 3 422.419 0.125 20 5 HCBDHM O=C(CNC(=O)c1ccc([O-])cc1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000608987074 1074531638 /nfs/dbraw/zinc/53/16/38/1074531638.db2.gz YZXMOYMLZNRLHZ-UHFFFAOYSA-N -1 3 422.419 0.125 20 5 HCBDHM CN(C)C(=O)[C@@H]1CCCN1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000609196755 1077518237 /nfs/dbraw/zinc/51/82/37/1077518237.db2.gz PREAKTMWOVIMSY-AWEZNQCLSA-N -1 3 402.448 0.955 20 5 HCBDHM CN(C)C(=O)[C@H]1CCCN1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000609196759 1077518022 /nfs/dbraw/zinc/51/80/22/1077518022.db2.gz PREAKTMWOVIMSY-CQSZACIVSA-N -1 3 402.448 0.955 20 5 HCBDHM O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000609201593 1077538059 /nfs/dbraw/zinc/53/80/59/1077538059.db2.gz QGQKPXDQSKQCPI-UHFFFAOYSA-N -1 3 418.387 0.187 20 5 HCBDHM CC(=O)N1CCN(C(=O)CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609353376 1079249122 /nfs/dbraw/zinc/24/91/22/1079249122.db2.gz ZKDZBLZRIZSJJC-UHFFFAOYSA-N -1 3 418.859 0.607 20 5 HCBDHM CN1CCN(C)[C@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000609543126 1078474148 /nfs/dbraw/zinc/47/41/48/1078474148.db2.gz RMTKCZBNGQERGQ-LLVKDONJSA-N -1 3 407.290 0.881 20 5 HCBDHM CN1CCN(C)[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000609543127 1078474069 /nfs/dbraw/zinc/47/40/69/1078474069.db2.gz RMTKCZBNGQERGQ-NSHDSACASA-N -1 3 407.290 0.881 20 5 HCBDHM CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cn2)CC1 ZINC000609564922 1078477289 /nfs/dbraw/zinc/47/72/89/1078477289.db2.gz DURFYRVGUVGVFK-UHFFFAOYSA-N -1 3 422.423 0.424 20 5 HCBDHM CC(=O)N1CCN(c2ccc(C(=O)NCCc3c(C)[n-][nH]c3=O)cc2[N+](=O)[O-])CC1 ZINC000609623404 1078495332 /nfs/dbraw/zinc/49/53/32/1078495332.db2.gz SZNTXQQGPOASMB-HNNXBMFYSA-N -1 3 416.438 0.505 20 5 HCBDHM CC(=O)N1CCN(c2ccc(C(=O)NCCc3c(C)[n-][nH]c3=O)cc2[N+](=O)[O-])CC1 ZINC000609623405 1078495660 /nfs/dbraw/zinc/49/56/60/1078495660.db2.gz SZNTXQQGPOASMB-OAHLLOKOSA-N -1 3 416.438 0.505 20 5 HCBDHM Cc1nc(C)c(CCC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000609725521 1078525704 /nfs/dbraw/zinc/52/57/04/1078525704.db2.gz TWWVLKLPAVCZJM-UHFFFAOYSA-N -1 3 423.451 0.735 20 5 HCBDHM Cc1nc(C)c(CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000609736896 1078534372 /nfs/dbraw/zinc/53/43/72/1078534372.db2.gz PVEDDPHXPOHLKG-UHFFFAOYSA-N -1 3 409.424 0.344 20 5 HCBDHM Cc1noc(C)c1S(=O)(=O)[N-]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609740530 1078534985 /nfs/dbraw/zinc/53/49/85/1078534985.db2.gz VMOVYMHCFYNXPO-UHFFFAOYSA-N -1 3 404.426 0.456 20 5 HCBDHM COC(=O)Cc1nc(NC(=O)CCCn2c3ccc([N+](=O)[O-])cc3oc2=O)n[n-]1 ZINC000609855010 1078553950 /nfs/dbraw/zinc/55/39/50/1078553950.db2.gz CUTYIPIHIOEFMF-UHFFFAOYSA-N -1 3 404.339 0.755 20 5 HCBDHM COC(=O)Cc1nc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n[n-]1 ZINC000609880055 1078558178 /nfs/dbraw/zinc/55/81/78/1078558178.db2.gz VFLYJEHBVQVBBT-CYBMUJFWSA-N -1 3 416.394 0.980 20 5 HCBDHM COC(=O)Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n[n-]1 ZINC000609880056 1078558280 /nfs/dbraw/zinc/55/82/80/1078558280.db2.gz VFLYJEHBVQVBBT-ZDUSSCGKSA-N -1 3 416.394 0.980 20 5 HCBDHM CCOC(=O)c1nnc(CNC(=O)CCCn2c3ccc([N+](=O)[O-])cc3oc2=O)[n-]1 ZINC000615919223 1078705103 /nfs/dbraw/zinc/70/51/03/1078705103.db2.gz AOZBILMGGCELCN-UHFFFAOYSA-N -1 3 418.366 0.894 20 5 HCBDHM CCOC(=O)c1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)[n-]1 ZINC000615919997 1078704765 /nfs/dbraw/zinc/70/47/65/1078704765.db2.gz LJGBKSOJCFKXNN-UHFFFAOYSA-N -1 3 404.383 0.656 20 5 HCBDHM CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cn2)CC1 ZINC000618375364 1078859149 /nfs/dbraw/zinc/85/91/49/1078859149.db2.gz ISFXFHGYPIGQHT-UHFFFAOYSA-N -1 3 422.423 0.424 20 5 HCBDHM CCOC(=O)c1nc(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c[n-]1 ZINC000619449687 1078900523 /nfs/dbraw/zinc/90/05/23/1078900523.db2.gz RCNMNJOGMWWCEB-UHFFFAOYSA-N -1 3 411.396 0.754 20 5 HCBDHM CCOC(=O)c1ncc(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[n-]1 ZINC000619449687 1078900522 /nfs/dbraw/zinc/90/05/22/1078900522.db2.gz RCNMNJOGMWWCEB-UHFFFAOYSA-N -1 3 411.396 0.754 20 5 HCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nnc3n2CCOC3)c(Br)c1 ZINC000619500766 1078907724 /nfs/dbraw/zinc/90/77/24/1078907724.db2.gz QPRZVTJMJASXAL-UHFFFAOYSA-N -1 3 418.229 0.958 20 5 HCBDHM CS(=O)(=O)NC1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000619752030 1078932696 /nfs/dbraw/zinc/93/26/96/1078932696.db2.gz VFRVEJGWRIIVOF-UHFFFAOYSA-N -1 3 417.387 0.972 20 5 HCBDHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000761394108 1075312536 /nfs/dbraw/zinc/31/25/36/1075312536.db2.gz XZUOXDLVXHQMOT-UHFFFAOYSA-N -1 3 421.840 0.993 20 5 HCBDHM Cc1c(C(=O)[N-]N2CCc3ccccc3C2=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000762644356 1077874165 /nfs/dbraw/zinc/87/41/65/1077874165.db2.gz GWYRBBSAOILWAS-UHFFFAOYSA-N -1 3 404.404 0.894 20 5 HCBDHM C[C@H](CN(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nn[n-]n1 ZINC000763204094 1078031853 /nfs/dbraw/zinc/03/18/53/1078031853.db2.gz FSXAREPTSGYVGR-LLVKDONJSA-N -1 3 411.444 0.369 20 5 HCBDHM C[C@H](CN(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nnn[n-]1 ZINC000763204094 1078031847 /nfs/dbraw/zinc/03/18/47/1078031847.db2.gz FSXAREPTSGYVGR-LLVKDONJSA-N -1 3 411.444 0.369 20 5 HCBDHM C[C@@H](CN(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nn[n-]n1 ZINC000763204097 1078031812 /nfs/dbraw/zinc/03/18/12/1078031812.db2.gz FSXAREPTSGYVGR-NSHDSACASA-N -1 3 411.444 0.369 20 5 HCBDHM C[C@@H](CN(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nnn[n-]1 ZINC000763204097 1078031806 /nfs/dbraw/zinc/03/18/06/1078031806.db2.gz FSXAREPTSGYVGR-NSHDSACASA-N -1 3 411.444 0.369 20 5 HCBDHM CS(=O)(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001212365204 1079858319 /nfs/dbraw/zinc/85/83/19/1079858319.db2.gz LHZISXXGUNKKRP-MRVPVSSYSA-N -1 3 417.387 0.926 20 5 HCBDHM CS(=O)(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001212365205 1079858474 /nfs/dbraw/zinc/85/84/74/1079858474.db2.gz LHZISXXGUNKKRP-QMMMGPOBSA-N -1 3 417.387 0.926 20 5 HCBDHM COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC001671026035 1080080478 /nfs/dbraw/zinc/08/04/78/1080080478.db2.gz YWKVRRUZWYIMEU-AWEZNQCLSA-N -1 3 402.425 0.751 20 5 HCBDHM COC(=O)[C@@H](CCC1OCCO1)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC001671026036 1080080528 /nfs/dbraw/zinc/08/05/28/1080080528.db2.gz YWKVRRUZWYIMEU-CQSZACIVSA-N -1 3 402.425 0.751 20 5 HCBDHM