smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001129586358 1078584549 /nfs/dbraw/zinc/58/45/49/1078584549.db2.gz MLOLRAGLEPEOIR-UHFFFAOYSA-N 1 2 408.414 2.931 20 5 HFBDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C2)CC1 ZINC000804834493 1078674970 /nfs/dbraw/zinc/67/49/70/1078674970.db2.gz IJPRJTVUEQYCSD-HNNXBMFYSA-N 1 2 417.510 2.694 20 5 HFBDLO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804834221 1078675327 /nfs/dbraw/zinc/67/53/27/1078675327.db2.gz BYVBBPZSCPPNNW-SFHVURJKSA-N 1 2 420.510 2.873 20 5 HFBDLO CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000805415739 1079076734 /nfs/dbraw/zinc/07/67/34/1079076734.db2.gz RTAZTYWRQPXLQF-MRXNPFEDSA-N 1 2 415.450 2.911 20 5 HFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000772797732 1077900975 /nfs/dbraw/zinc/90/09/75/1077900975.db2.gz JBERGQKFUFNEQY-ZBFHGGJFSA-N 1 2 410.902 2.762 20 5 HFBDLO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])n2)c1C ZINC000790160371 1077962655 /nfs/dbraw/zinc/96/26/55/1077962655.db2.gz CTNZFJOZCWCHDG-UHFFFAOYSA-N 1 2 414.397 2.955 20 5 HFBDLO COC(=O)c1ccc2c(n1)CCCN2C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001130960461 1080640370 /nfs/dbraw/zinc/64/03/70/1080640370.db2.gz IUOKKEGCCCRTGL-UHFFFAOYSA-N 1 2 407.386 2.555 20 5 HFBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC001164917170 721818991 /nfs/dbraw/zinc/81/89/91/721818991.db2.gz CQSAMMNIJCDZAX-UHFFFAOYSA-N 1 2 419.489 2.998 20 5 HFBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC001164919953 721819665 /nfs/dbraw/zinc/81/96/65/721819665.db2.gz ZILZMKHIEXVSIV-UHFFFAOYSA-N 1 2 400.483 2.723 20 5 HFBDLO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1[N+](=O)[O-] ZINC000790635639 1078070816 /nfs/dbraw/zinc/07/08/16/1078070816.db2.gz UMDWCFMOIYBGGL-UHFFFAOYSA-N 1 2 404.492 2.764 20 5 HFBDLO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000805415737 1079076708 /nfs/dbraw/zinc/07/67/08/1079076708.db2.gz RTAZTYWRQPXLQF-INIZCTEOSA-N 1 2 415.450 2.911 20 5 HFBDLO Cn1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)ccc1[N+](=O)[O-] ZINC000787390372 1076805700 /nfs/dbraw/zinc/80/57/00/1076805700.db2.gz QDWVHOAIQVVDMM-UHFFFAOYSA-N 1 2 422.283 2.700 20 5 HFBDLO C[NH+](C)CCCOC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000787599532 1076887609 /nfs/dbraw/zinc/88/76/09/1076887609.db2.gz SJZNHHVRDISQCN-UHFFFAOYSA-N 1 2 407.448 2.504 20 5 HFBDLO O=C(NCCCn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000787810477 1076966076 /nfs/dbraw/zinc/96/60/76/1076966076.db2.gz ZXULROHWZGPBFV-UHFFFAOYSA-N 1 2 415.191 2.608 20 5 HFBDLO Cc1cccn2cc(CCNC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[nH+]c12 ZINC000746776141 1077370940 /nfs/dbraw/zinc/37/09/40/1077370940.db2.gz PDBQYVZHUZYXQC-UHFFFAOYSA-N 1 2 408.462 2.625 20 5 HFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000789438340 1077572927 /nfs/dbraw/zinc/57/29/27/1077572927.db2.gz XSLYELRPJLDUGS-HNNXBMFYSA-N 1 2 421.498 2.884 20 5 HFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000789438340 1077572930 /nfs/dbraw/zinc/57/29/30/1077572930.db2.gz XSLYELRPJLDUGS-HNNXBMFYSA-N 1 2 421.498 2.884 20 5 HFBDLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791941209 1077601457 /nfs/dbraw/zinc/60/14/57/1077601457.db2.gz ZTUYVTVKTVJWKW-GOSISDBHSA-N 1 2 415.402 2.837 20 5 HFBDLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791941209 1077601459 /nfs/dbraw/zinc/60/14/59/1077601459.db2.gz ZTUYVTVKTVJWKW-GOSISDBHSA-N 1 2 415.402 2.837 20 5 HFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000772797725 1077902406 /nfs/dbraw/zinc/90/24/06/1077902406.db2.gz JBERGQKFUFNEQY-GOEBONIOSA-N 1 2 410.902 2.762 20 5 HFBDLO COc1ccc(C[C@@H](C)[NH+]2CCN(C(=O)Cc3ccsc3)CC2)c([N+](=O)[O-])c1 ZINC001170354870 1077948753 /nfs/dbraw/zinc/94/87/53/1077948753.db2.gz QWYFBXRJIOUCHR-OAHLLOKOSA-N 1 2 403.504 2.983 20 5 HFBDLO O=Cc1ccc(OCC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c([N+](=O)[O-])c1 ZINC000790157084 1077961417 /nfs/dbraw/zinc/96/14/17/1077961417.db2.gz IBFQYBGECITOBZ-UHFFFAOYSA-N 1 2 412.446 2.725 20 5 HFBDLO Cc1ncc([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164673764 719504409 /nfs/dbraw/zinc/50/44/09/719504409.db2.gz RJIAYSYHFPTLFW-UHFFFAOYSA-N 1 2 401.442 2.704 20 5 HFBDLO Cc1ncc([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164673764 719504428 /nfs/dbraw/zinc/50/44/28/719504428.db2.gz RJIAYSYHFPTLFW-UHFFFAOYSA-N 1 2 401.442 2.704 20 5 HFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164947661 721975164 /nfs/dbraw/zinc/97/51/64/721975164.db2.gz PXZKHZQFPMADHT-UHFFFAOYSA-N 1 2 409.490 2.578 20 5 HFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164947661 721975167 /nfs/dbraw/zinc/97/51/67/721975167.db2.gz PXZKHZQFPMADHT-UHFFFAOYSA-N 1 2 409.490 2.578 20 5 HFBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000804378183 1078453703 /nfs/dbraw/zinc/45/37/03/1078453703.db2.gz FLFACVLVTXJGQQ-UHFFFAOYSA-N 1 2 402.407 2.826 20 5 HFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000804440381 1078504452 /nfs/dbraw/zinc/50/44/52/1078504452.db2.gz XHLCEIYPKREASH-SJLPKXTDSA-N 1 2 402.495 2.520 20 5 HFBDLO O=C(C[N@H+](Cc1ccccc1)[C@]1(CO)CCOC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000787677387 1076890855 /nfs/dbraw/zinc/89/08/55/1076890855.db2.gz WEBCVMQXGFSXKS-FQEVSTJZSA-N 1 2 419.865 2.840 20 5 HFBDLO O=C(C[N@@H+](Cc1ccccc1)[C@]1(CO)CCOC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000787677387 1076890857 /nfs/dbraw/zinc/89/08/57/1076890857.db2.gz WEBCVMQXGFSXKS-FQEVSTJZSA-N 1 2 419.865 2.840 20 5 HFBDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000791358192 1077393052 /nfs/dbraw/zinc/39/30/52/1077393052.db2.gz YNMCILJRLHTVTI-UHFFFAOYSA-N 1 2 423.429 2.632 20 5 HFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000789438341 1077573089 /nfs/dbraw/zinc/57/30/89/1077573089.db2.gz XSLYELRPJLDUGS-OAHLLOKOSA-N 1 2 421.498 2.884 20 5 HFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000789438341 1077573095 /nfs/dbraw/zinc/57/30/95/1077573095.db2.gz XSLYELRPJLDUGS-OAHLLOKOSA-N 1 2 421.498 2.884 20 5 HFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000772797723 1077902443 /nfs/dbraw/zinc/90/24/43/1077902443.db2.gz JBERGQKFUFNEQY-GDBMZVCRSA-N 1 2 410.902 2.762 20 5 HFBDLO CCOC(=O)c1ncn2c1C[N@@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])CCC2 ZINC001170326987 1077944105 /nfs/dbraw/zinc/94/41/05/1077944105.db2.gz DSSXGBWUPKKQOX-CQSZACIVSA-N 1 2 402.451 2.814 20 5 HFBDLO CCOC(=O)c1ncn2c1C[N@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])CCC2 ZINC001170326987 1077944107 /nfs/dbraw/zinc/94/41/07/1077944107.db2.gz DSSXGBWUPKKQOX-CQSZACIVSA-N 1 2 402.451 2.814 20 5 HFBDLO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170336578 1077947528 /nfs/dbraw/zinc/94/75/28/1077947528.db2.gz ZQCFPCAUELWPTK-OIISXLGYSA-N 1 2 421.494 2.855 20 5 HFBDLO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170336578 1077947529 /nfs/dbraw/zinc/94/75/29/1077947529.db2.gz ZQCFPCAUELWPTK-OIISXLGYSA-N 1 2 421.494 2.855 20 5 HFBDLO CO[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@H]1O ZINC001170308798 1077948282 /nfs/dbraw/zinc/94/82/82/1077948282.db2.gz YBCOSYDIJMHJJB-KZNAEPCWSA-N 1 2 405.838 2.620 20 5 HFBDLO CO[C@@H]1C[N@H+]([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@H]1O ZINC001170308798 1077948284 /nfs/dbraw/zinc/94/82/84/1077948284.db2.gz YBCOSYDIJMHJJB-KZNAEPCWSA-N 1 2 405.838 2.620 20 5 HFBDLO COc1cc(N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000804834288 1078674981 /nfs/dbraw/zinc/67/49/81/1078674981.db2.gz FFQWVXVYCGOXCQ-AWEZNQCLSA-N 1 2 424.473 2.874 20 5 HFBDLO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000804930009 1078786361 /nfs/dbraw/zinc/78/63/61/1078786361.db2.gz APWJQTBEQIAUFV-INIZCTEOSA-N 1 2 415.450 2.910 20 5 HFBDLO O=C(C[N@H+](Cc1ccccc1)[C@@]1(CO)CCOC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000787677388 1076890762 /nfs/dbraw/zinc/89/07/62/1076890762.db2.gz WEBCVMQXGFSXKS-HXUWFJFHSA-N 1 2 419.865 2.840 20 5 HFBDLO O=C(C[N@@H+](Cc1ccccc1)[C@@]1(CO)CCOC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000787677388 1076890769 /nfs/dbraw/zinc/89/07/69/1076890769.db2.gz WEBCVMQXGFSXKS-HXUWFJFHSA-N 1 2 419.865 2.840 20 5 HFBDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000787995098 1077022580 /nfs/dbraw/zinc/02/25/80/1077022580.db2.gz MDKBXZZPFZDKGV-FQEVSTJZSA-N 1 2 404.467 2.669 20 5 HFBDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000787995098 1077022584 /nfs/dbraw/zinc/02/25/84/1077022584.db2.gz MDKBXZZPFZDKGV-FQEVSTJZSA-N 1 2 404.467 2.669 20 5 HFBDLO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792307164 1077799503 /nfs/dbraw/zinc/79/95/03/1077799503.db2.gz JCTKHLLJAJBEDN-UHFFFAOYSA-N 1 2 413.171 2.842 20 5 HFBDLO CSc1nc(Cl)nc(N2CC[NH+](CCOc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001165045463 721956541 /nfs/dbraw/zinc/95/65/41/721956541.db2.gz VKGOCUCHCRAEFO-UHFFFAOYSA-N 1 2 409.899 2.961 20 5 HFBDLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(Cl)cc([N+](=O)[O-])n1)CC2 ZINC001164944960 721972505 /nfs/dbraw/zinc/97/25/05/721972505.db2.gz KXBPJFMWIRBCOC-UHFFFAOYSA-N 1 2 415.881 2.614 20 5 HFBDLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(Cl)cc([N+](=O)[O-])n1)CC2 ZINC001164944960 721972508 /nfs/dbraw/zinc/97/25/08/721972508.db2.gz KXBPJFMWIRBCOC-UHFFFAOYSA-N 1 2 415.881 2.614 20 5 HFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790611881 1078075520 /nfs/dbraw/zinc/07/55/20/1078075520.db2.gz YBZMHERLNATXRD-NSHDSACASA-N 1 2 408.256 2.710 20 5 HFBDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC001129808475 1078506132 /nfs/dbraw/zinc/50/61/32/1078506132.db2.gz VYZDPXGJGOVXRP-UHFFFAOYSA-N 1 2 402.417 2.760 20 5 HFBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001170452010 1078534640 /nfs/dbraw/zinc/53/46/40/1078534640.db2.gz QJKFQKVJJHSORQ-ZDUSSCGKSA-N 1 2 418.288 2.675 20 5 HFBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001170452010 1078534646 /nfs/dbraw/zinc/53/46/46/1078534646.db2.gz QJKFQKVJJHSORQ-ZDUSSCGKSA-N 1 2 418.288 2.675 20 5 HFBDLO COc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000804833824 1078673990 /nfs/dbraw/zinc/67/39/90/1078673990.db2.gz MPQKFSABYZWMAE-HNNXBMFYSA-N 1 2 406.483 2.735 20 5 HFBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000791012889 1077270852 /nfs/dbraw/zinc/27/08/52/1077270852.db2.gz KUIHAUZEDPDYMV-UHFFFAOYSA-N 1 2 400.273 2.540 20 5 HFBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000791012889 1077270857 /nfs/dbraw/zinc/27/08/57/1077270857.db2.gz KUIHAUZEDPDYMV-UHFFFAOYSA-N 1 2 400.273 2.540 20 5 HFBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cc([N+](=O)[O-])c1F ZINC000790461686 1078027595 /nfs/dbraw/zinc/02/75/95/1078027595.db2.gz VRYLBDOWHAYVHK-INIZCTEOSA-N 1 2 407.467 2.590 20 5 HFBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc([N+](=O)[O-])c1F ZINC000790461686 1078027600 /nfs/dbraw/zinc/02/76/00/1078027600.db2.gz VRYLBDOWHAYVHK-INIZCTEOSA-N 1 2 407.467 2.590 20 5 HFBDLO Nc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672659 719521615 /nfs/dbraw/zinc/52/16/15/719521615.db2.gz MJQNITBAXASCBG-UHFFFAOYSA-N 1 2 401.442 2.583 20 5 HFBDLO Nc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672659 719521623 /nfs/dbraw/zinc/52/16/23/719521623.db2.gz MJQNITBAXASCBG-UHFFFAOYSA-N 1 2 401.442 2.583 20 5 HFBDLO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC001164678259 719564429 /nfs/dbraw/zinc/56/44/29/719564429.db2.gz WNHWWXPKSRXDCY-UHFFFAOYSA-N 1 2 410.768 2.984 20 5 HFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000804439946 1078504790 /nfs/dbraw/zinc/50/47/90/1078504790.db2.gz ODPFDEGPEGLATE-IEBWSBKVSA-N 1 2 416.522 2.766 20 5 HFBDLO O=[N+]([O-])c1ccc(Br)c2c1CN(c1cc(N3CCOCC3)[nH+]cn1)CC2 ZINC000804703477 1078567142 /nfs/dbraw/zinc/56/71/42/1078567142.db2.gz MEWXOHJXZWWOGX-UHFFFAOYSA-N 1 2 420.267 2.547 20 5 HFBDLO O=[N+]([O-])c1ccc(Br)c2c1CN(c1cc(N3CCOCC3)nc[nH+]1)CC2 ZINC000804703477 1078567147 /nfs/dbraw/zinc/56/71/47/1078567147.db2.gz MEWXOHJXZWWOGX-UHFFFAOYSA-N 1 2 420.267 2.547 20 5 HFBDLO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804834220 1078675406 /nfs/dbraw/zinc/67/54/06/1078675406.db2.gz BYVBBPZSCPPNNW-GOSISDBHSA-N 1 2 420.510 2.873 20 5 HFBDLO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259448 1079147859 /nfs/dbraw/zinc/14/78/59/1079147859.db2.gz DOZRGOVHFDTFCW-UTUOFQBUSA-N 1 2 400.273 2.585 20 5 HFBDLO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259448 1079147864 /nfs/dbraw/zinc/14/78/64/1079147864.db2.gz DOZRGOVHFDTFCW-UTUOFQBUSA-N 1 2 400.273 2.585 20 5 HFBDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000787995100 1077022546 /nfs/dbraw/zinc/02/25/46/1077022546.db2.gz MDKBXZZPFZDKGV-HXUWFJFHSA-N 1 2 404.467 2.669 20 5 HFBDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000787995100 1077022554 /nfs/dbraw/zinc/02/25/54/1077022554.db2.gz MDKBXZZPFZDKGV-HXUWFJFHSA-N 1 2 404.467 2.669 20 5 HFBDLO COc1ccc(C(=O)NCC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cc1[N+](=O)[O-] ZINC000791259404 1077350686 /nfs/dbraw/zinc/35/06/86/1077350686.db2.gz RSWKTTPTLJEDOI-UHFFFAOYSA-N 1 2 424.413 2.571 20 5 HFBDLO O=C(OCCc1cn(-c2ccccc2F)nn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000789509045 1077601702 /nfs/dbraw/zinc/60/17/02/1077601702.db2.gz OIZUOWDOPURBCF-UHFFFAOYSA-N 1 2 422.376 2.900 20 5 HFBDLO O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000793114986 1078083408 /nfs/dbraw/zinc/08/34/08/1078083408.db2.gz BSJQQQILXZUEED-QGZVFWFLSA-N 1 2 400.435 2.879 20 5 HFBDLO O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000793114986 1078083414 /nfs/dbraw/zinc/08/34/14/1078083414.db2.gz BSJQQQILXZUEED-QGZVFWFLSA-N 1 2 400.435 2.879 20 5 HFBDLO COC(=O)c1cc(C)nc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)c1[N+](=O)[O-] ZINC000804399145 1078462678 /nfs/dbraw/zinc/46/26/78/1078462678.db2.gz GBUZGAUROQKTEL-UHFFFAOYSA-N 1 2 413.434 2.530 20 5 HFBDLO COc1ccc(C(=O)NCC[NH+]2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 ZINC000804465671 1078529422 /nfs/dbraw/zinc/52/94/22/1078529422.db2.gz FACMFMRWILLLMS-UHFFFAOYSA-N 1 2 418.881 2.809 20 5 HFBDLO COc1cc(C[NH+]2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)cc(OC)c1OC ZINC000804535802 1078583186 /nfs/dbraw/zinc/58/31/86/1078583186.db2.gz PPJNGDVFKLZDLT-UHFFFAOYSA-N 1 2 402.451 2.525 20 5 HFBDLO COc1cccc(OCC[NH+]2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)c1 ZINC000804559363 1078594222 /nfs/dbraw/zinc/59/42/22/1078594222.db2.gz VSPPVYONLWEMOS-UHFFFAOYSA-N 1 2 402.407 2.713 20 5 HFBDLO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000747203859 1078693270 /nfs/dbraw/zinc/69/32/70/1078693270.db2.gz OAKAFDQGIISAEN-UHFFFAOYSA-N 1 2 403.410 2.836 20 5 HFBDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000805826190 1079296110 /nfs/dbraw/zinc/29/61/10/1079296110.db2.gz RQGANMXNDOYYHM-ZDUSSCGKSA-N 1 2 417.409 2.958 20 5 HFBDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000805826190 1079296114 /nfs/dbraw/zinc/29/61/14/1079296114.db2.gz RQGANMXNDOYYHM-ZDUSSCGKSA-N 1 2 417.409 2.958 20 5 HFBDLO CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000787801635 1076949999 /nfs/dbraw/zinc/94/99/99/1076949999.db2.gz YXMAZHHERJKNQM-OAHLLOKOSA-N 1 2 415.450 2.910 20 5 HFBDLO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3cc([N+](=O)[O-])cc(C)c3F)n2)c1C ZINC000791044412 1077281661 /nfs/dbraw/zinc/28/16/61/1077281661.db2.gz KNRMZQQJPGLAAL-UHFFFAOYSA-N 1 2 414.397 2.955 20 5 HFBDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000791244563 1077357214 /nfs/dbraw/zinc/35/72/14/1077357214.db2.gz LVGURWATOKVAND-UHFFFAOYSA-N 1 2 408.414 2.871 20 5 HFBDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000791283169 1077369694 /nfs/dbraw/zinc/36/96/94/1077369694.db2.gz WTDIYCNFJIXRNI-UHFFFAOYSA-N 1 2 422.397 2.558 20 5 HFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)c1F ZINC000790184602 1077973494 /nfs/dbraw/zinc/97/34/94/1077973494.db2.gz VXZGAQSKMXDOAJ-UHFFFAOYSA-N 1 2 400.410 2.682 20 5 HFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000793066633 1078060852 /nfs/dbraw/zinc/06/08/52/1078060852.db2.gz RIYZQKNWQVQVKY-AWEZNQCLSA-N 1 2 413.478 2.971 20 5 HFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000793066641 1078060900 /nfs/dbraw/zinc/06/09/00/1078060900.db2.gz RIYZQKNWQVQVKY-CQSZACIVSA-N 1 2 413.478 2.971 20 5 HFBDLO CC(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000793067357 1078061227 /nfs/dbraw/zinc/06/12/27/1078061227.db2.gz JBCNLXDJEGPMSZ-MRXNPFEDSA-N 1 2 412.446 2.906 20 5 HFBDLO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1[N+](=O)[O-] ZINC000790855812 1078152189 /nfs/dbraw/zinc/15/21/89/1078152189.db2.gz DBVYWBQXSFKCGW-IAQYHMDHSA-N 1 2 423.451 2.588 20 5 HFBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000788444336 1077162068 /nfs/dbraw/zinc/16/20/68/1077162068.db2.gz QCGSLWMACRMXQV-UHFFFAOYSA-N 1 2 421.457 2.606 20 5 HFBDLO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3cc([N+](=O)[O-])ccc3F)n2)c1C ZINC000791030337 1077276831 /nfs/dbraw/zinc/27/68/31/1077276831.db2.gz SSXWVSRUZWMPFD-UHFFFAOYSA-N 1 2 400.370 2.646 20 5 HFBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000791270959 1077354220 /nfs/dbraw/zinc/35/42/20/1077354220.db2.gz LSPYGAQWIBPQDK-OAHLLOKOSA-N 1 2 400.483 2.934 20 5 HFBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000791270959 1077354224 /nfs/dbraw/zinc/35/42/24/1077354224.db2.gz LSPYGAQWIBPQDK-OAHLLOKOSA-N 1 2 400.483 2.934 20 5 HFBDLO COCCONC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000789352294 1077513534 /nfs/dbraw/zinc/51/35/34/1077513534.db2.gz OGDIOBCXQLDUFJ-UHFFFAOYSA-N 1 2 420.491 2.729 20 5 HFBDLO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164916231 721813067 /nfs/dbraw/zinc/81/30/67/721813067.db2.gz FZIXKBFMLZEMLH-UHFFFAOYSA-N 1 2 423.930 2.706 20 5 HFBDLO O=C(CC1OCCO1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000793096776 1078074216 /nfs/dbraw/zinc/07/42/16/1078074216.db2.gz DBDBTFBXMQHEDE-UHFFFAOYSA-N 1 2 417.487 2.731 20 5 HFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000804440380 1078504325 /nfs/dbraw/zinc/50/43/25/1078504325.db2.gz XHLCEIYPKREASH-FUHWJXTLSA-N 1 2 402.495 2.520 20 5 HFBDLO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000804930010 1078786762 /nfs/dbraw/zinc/78/67/62/1078786762.db2.gz APWJQTBEQIAUFV-MRXNPFEDSA-N 1 2 415.450 2.910 20 5 HFBDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@H]2C ZINC001170354890 1077948992 /nfs/dbraw/zinc/94/89/92/1077948992.db2.gz RKVJHIIQYRSVSN-KGLIPLIRSA-N 1 2 402.451 2.984 20 5 HFBDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@H]2C ZINC001170354890 1077948995 /nfs/dbraw/zinc/94/89/95/1077948995.db2.gz RKVJHIIQYRSVSN-KGLIPLIRSA-N 1 2 402.451 2.984 20 5 HFBDLO COc1ccc(C[C@@H](C)[N@@H+]2CCn3c(COc4ccccn4)nnc3C2)c([N+](=O)[O-])c1 ZINC001170341120 1077953183 /nfs/dbraw/zinc/95/31/83/1077953183.db2.gz NLGTYVAUGAJATI-OAHLLOKOSA-N 1 2 424.461 2.616 20 5 HFBDLO COc1ccc(C[C@@H](C)[N@H+]2CCn3c(COc4ccccn4)nnc3C2)c([N+](=O)[O-])c1 ZINC001170341120 1077953184 /nfs/dbraw/zinc/95/31/84/1077953184.db2.gz NLGTYVAUGAJATI-OAHLLOKOSA-N 1 2 424.461 2.616 20 5 HFBDLO Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc3c2CC[N@@H+](C)C3)c(C)c1[N+](=O)[O-] ZINC000790391883 1078013286 /nfs/dbraw/zinc/01/32/86/1078013286.db2.gz OIYJXEBWGRAKHH-UHFFFAOYSA-N 1 2 420.447 2.909 20 5 HFBDLO Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc3c2CC[N@H+](C)C3)c(C)c1[N+](=O)[O-] ZINC000790391883 1078013292 /nfs/dbraw/zinc/01/32/92/1078013292.db2.gz OIYJXEBWGRAKHH-UHFFFAOYSA-N 1 2 420.447 2.909 20 5 HFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790611879 1078075583 /nfs/dbraw/zinc/07/55/83/1078075583.db2.gz YBZMHERLNATXRD-LLVKDONJSA-N 1 2 408.256 2.710 20 5 HFBDLO CCc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000747010158 1077399201 /nfs/dbraw/zinc/39/92/01/1077399201.db2.gz FSLOWNPUKHWRHP-UHFFFAOYSA-N 1 2 417.487 2.720 20 5 HFBDLO CCn1cc([C@@H](O)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc2)cn1 ZINC000792366131 1077817014 /nfs/dbraw/zinc/81/70/14/1077817014.db2.gz RKKQMBLRXZVVGX-NRFANRHFSA-N 1 2 423.473 2.986 20 5 HFBDLO CCn1cc([C@@H](O)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc2)cn1 ZINC000792366131 1077817020 /nfs/dbraw/zinc/81/70/20/1077817020.db2.gz RKKQMBLRXZVVGX-NRFANRHFSA-N 1 2 423.473 2.986 20 5 HFBDLO COc1cccc(N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000804835442 1078677717 /nfs/dbraw/zinc/67/77/17/1078677717.db2.gz UYNFUFUDZQMGET-OAHLLOKOSA-N 1 2 406.483 2.735 20 5 HFBDLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000791645983 1077509403 /nfs/dbraw/zinc/50/94/03/1077509403.db2.gz KPIKPHHITZZPGB-ICSRJNTNSA-N 1 2 414.458 2.932 20 5 HFBDLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000791645983 1077509407 /nfs/dbraw/zinc/50/94/07/1077509407.db2.gz KPIKPHHITZZPGB-ICSRJNTNSA-N 1 2 414.458 2.932 20 5 HFBDLO CC(=O)N1CC[NH+](Cc2ccccc2NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000789672922 1077736238 /nfs/dbraw/zinc/73/62/38/1077736238.db2.gz QCVDEHPGAFRBEN-UHFFFAOYSA-N 1 2 413.434 2.779 20 5 HFBDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@@H]2C ZINC001170354891 1077948896 /nfs/dbraw/zinc/94/88/96/1077948896.db2.gz RKVJHIIQYRSVSN-UONOGXRCSA-N 1 2 402.451 2.984 20 5 HFBDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@@H]2C ZINC001170354891 1077948898 /nfs/dbraw/zinc/94/88/98/1077948898.db2.gz RKVJHIIQYRSVSN-UONOGXRCSA-N 1 2 402.451 2.984 20 5 HFBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000790122964 1077958619 /nfs/dbraw/zinc/95/86/19/1077958619.db2.gz WWIUUNNBBCTBDM-UHFFFAOYSA-N 1 2 404.511 2.768 20 5 HFBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000790122964 1077958620 /nfs/dbraw/zinc/95/86/20/1077958620.db2.gz WWIUUNNBBCTBDM-UHFFFAOYSA-N 1 2 404.511 2.768 20 5 HFBDLO CC(C)Oc1nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)ccc1[N+](=O)[O-] ZINC001165009714 721715045 /nfs/dbraw/zinc/71/50/45/721715045.db2.gz VMOXPCDRLQEWSA-UHFFFAOYSA-N 1 2 403.487 2.619 20 5 HFBDLO CC(C)Oc1nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)ccc1[N+](=O)[O-] ZINC001165009714 721715052 /nfs/dbraw/zinc/71/50/52/721715052.db2.gz VMOXPCDRLQEWSA-UHFFFAOYSA-N 1 2 403.487 2.619 20 5 HFBDLO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1[N+](=O)[O-] ZINC000790855814 1078152175 /nfs/dbraw/zinc/15/21/75/1078152175.db2.gz DBVYWBQXSFKCGW-NHYWBVRUSA-N 1 2 423.451 2.588 20 5 HFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000804440382 1078504495 /nfs/dbraw/zinc/50/44/95/1078504495.db2.gz XHLCEIYPKREASH-WMZOPIPTSA-N 1 2 402.495 2.520 20 5 HFBDLO CN(C)c1cc(F)c(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000791199227 1077321761 /nfs/dbraw/zinc/32/17/61/1077321761.db2.gz IDRFAEUOZQJIPR-UHFFFAOYSA-N 1 2 416.453 2.562 20 5 HFBDLO O=C(OCc1ccccc1)[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000791646344 1077509179 /nfs/dbraw/zinc/50/91/79/1077509179.db2.gz KPIKPHHITZZPGB-UYAOXDASSA-N 1 2 414.458 2.932 20 5 HFBDLO O=C(OCc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000791646344 1077509183 /nfs/dbraw/zinc/50/91/83/1077509183.db2.gz KPIKPHHITZZPGB-UYAOXDASSA-N 1 2 414.458 2.932 20 5 HFBDLO COc1cc(C(=O)OCc2cc[nH+]c(N)c2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000791778936 1077549621 /nfs/dbraw/zinc/54/96/21/1077549621.db2.gz MPALCSCRWXBZBN-UHFFFAOYSA-N 1 2 416.415 2.973 20 5 HFBDLO CCn1cc([C@H](O)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc2)cn1 ZINC000792366132 1077817113 /nfs/dbraw/zinc/81/71/13/1077817113.db2.gz RKKQMBLRXZVVGX-OAQYLSRUSA-N 1 2 423.473 2.986 20 5 HFBDLO CCn1cc([C@H](O)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc2)cn1 ZINC000792366132 1077817125 /nfs/dbraw/zinc/81/71/25/1077817125.db2.gz RKKQMBLRXZVVGX-OAQYLSRUSA-N 1 2 423.473 2.986 20 5 HFBDLO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001170165694 1077845668 /nfs/dbraw/zinc/84/56/68/1077845668.db2.gz CCKNGUQIWSUPDF-UHFFFAOYSA-N 1 2 411.397 2.545 20 5 HFBDLO CO[C@@H]1C[N@@H+]([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@H]1O ZINC001170308797 1077948306 /nfs/dbraw/zinc/94/83/06/1077948306.db2.gz YBCOSYDIJMHJJB-KURKYZTESA-N 1 2 405.838 2.620 20 5 HFBDLO CO[C@@H]1C[N@H+]([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@H]1O ZINC001170308797 1077948308 /nfs/dbraw/zinc/94/83/08/1077948308.db2.gz YBCOSYDIJMHJJB-KURKYZTESA-N 1 2 405.838 2.620 20 5 HFBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@H](C)O1 ZINC000790128919 1077951155 /nfs/dbraw/zinc/95/11/55/1077951155.db2.gz KNWNXLFILIBKQG-CALCHBBNSA-N 1 2 404.511 2.766 20 5 HFBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@H](C)O1 ZINC000790128919 1077951158 /nfs/dbraw/zinc/95/11/58/1077951158.db2.gz KNWNXLFILIBKQG-CALCHBBNSA-N 1 2 404.511 2.766 20 5 HFBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)C2 ZINC001165008186 721716519 /nfs/dbraw/zinc/71/65/19/721716519.db2.gz CFGJHZYIVNYVHT-UHFFFAOYSA-N 1 2 422.493 2.894 20 5 HFBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)C2 ZINC001165008186 721716523 /nfs/dbraw/zinc/71/65/23/721716523.db2.gz CFGJHZYIVNYVHT-UHFFFAOYSA-N 1 2 422.493 2.894 20 5 HFBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1 ZINC001164919843 721820406 /nfs/dbraw/zinc/82/04/06/721820406.db2.gz XDKHKPDEDFIVRW-UHFFFAOYSA-N 1 2 419.489 2.998 20 5 HFBDLO O=C1N(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000790466612 1078044953 /nfs/dbraw/zinc/04/49/53/1078044953.db2.gz WPUAAYOIWIJYHA-UHFFFAOYSA-N 1 2 415.425 2.872 20 5 HFBDLO O=C(NCCCn1cc[nH+]c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790609823 1078074992 /nfs/dbraw/zinc/07/49/92/1078074992.db2.gz PTTUSDUNKRUZNT-UHFFFAOYSA-N 1 2 408.256 2.712 20 5 HFBDLO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1[N+](=O)[O-] ZINC000790855807 1078152173 /nfs/dbraw/zinc/15/21/73/1078152173.db2.gz DBVYWBQXSFKCGW-ABAIWWIYSA-N 1 2 423.451 2.588 20 5 HFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000791165723 1077322419 /nfs/dbraw/zinc/32/24/19/1077322419.db2.gz QXTOTNWBMVAARJ-UHFFFAOYSA-N 1 2 411.393 2.998 20 5 HFBDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000791299278 1077362205 /nfs/dbraw/zinc/36/22/05/1077362205.db2.gz ZLFFRPCEHYPTIO-UHFFFAOYSA-N 1 2 408.370 2.740 20 5 HFBDLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000791645986 1077509475 /nfs/dbraw/zinc/50/94/75/1077509475.db2.gz KPIKPHHITZZPGB-QUCCMNQESA-N 1 2 414.458 2.932 20 5 HFBDLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000791645986 1077509479 /nfs/dbraw/zinc/50/94/79/1077509479.db2.gz KPIKPHHITZZPGB-QUCCMNQESA-N 1 2 414.458 2.932 20 5 HFBDLO COC(=O)COc1ccc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000789474231 1077567063 /nfs/dbraw/zinc/56/70/63/1077567063.db2.gz CJAYXQWXWJUVAZ-UHFFFAOYSA-N 1 2 423.466 2.589 20 5 HFBDLO COC(=O)COc1ccc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000789474231 1077567068 /nfs/dbraw/zinc/56/70/68/1077567068.db2.gz CJAYXQWXWJUVAZ-UHFFFAOYSA-N 1 2 423.466 2.589 20 5 HFBDLO COc1ccc(C[C@H](C)[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC001170335918 1077947162 /nfs/dbraw/zinc/94/71/62/1077947162.db2.gz QZEFRDVALXZIHO-JCGIZDLHSA-N 1 2 421.494 2.855 20 5 HFBDLO COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC001170335918 1077947163 /nfs/dbraw/zinc/94/71/63/1077947163.db2.gz QZEFRDVALXZIHO-JCGIZDLHSA-N 1 2 421.494 2.855 20 5 HFBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H](C)O1 ZINC000790121341 1077957700 /nfs/dbraw/zinc/95/77/00/1077957700.db2.gz FWOBXOVXNGVBIL-PHIMTYICSA-N 1 2 418.263 2.678 20 5 HFBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H](C)O1 ZINC000790121341 1077957702 /nfs/dbraw/zinc/95/77/02/1077957702.db2.gz FWOBXOVXNGVBIL-PHIMTYICSA-N 1 2 418.263 2.678 20 5 HFBDLO O=[N+]([O-])c1ccc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)nc1Cl ZINC001164678551 719563159 /nfs/dbraw/zinc/56/31/59/719563159.db2.gz ZVBWSNRYWGKBSI-UHFFFAOYSA-N 1 2 410.768 2.984 20 5 HFBDLO COc1cc(C[NH+]2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000804530230 1078567455 /nfs/dbraw/zinc/56/74/55/1078567455.db2.gz BDJXUIZLAXPPCC-UHFFFAOYSA-N 1 2 402.407 2.842 20 5 HFBDLO C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259717 1079148979 /nfs/dbraw/zinc/14/89/79/1079148979.db2.gz KDWGRVIXIIOYRF-SDDRHHMPSA-N 1 2 400.273 2.585 20 5 HFBDLO C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259717 1079148981 /nfs/dbraw/zinc/14/89/81/1079148981.db2.gz KDWGRVIXIIOYRF-SDDRHHMPSA-N 1 2 400.273 2.585 20 5 HFBDLO C[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Br)CC1 ZINC000787383169 1076781680 /nfs/dbraw/zinc/78/16/80/1076781680.db2.gz OVHFVGXCWTURBY-UHFFFAOYSA-N 1 2 409.240 2.954 20 5 HFBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000790127131 1077960042 /nfs/dbraw/zinc/96/00/42/1077960042.db2.gz JBWXQQSXXDQEKL-UHFFFAOYSA-N 1 2 418.263 2.679 20 5 HFBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000790127131 1077960043 /nfs/dbraw/zinc/96/00/43/1077960043.db2.gz JBWXQQSXXDQEKL-UHFFFAOYSA-N 1 2 418.263 2.679 20 5 HFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000806367127 1079653470 /nfs/dbraw/zinc/65/34/70/1079653470.db2.gz JJXPYMNTYADRSO-DGCLKSJQSA-N 1 2 413.272 2.684 20 5 HFBDLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc([N+](=O)[O-])cc(Cl)n1)CC2 ZINC001164942515 721969517 /nfs/dbraw/zinc/96/95/17/721969517.db2.gz CNSNCQZJJAMKQJ-UHFFFAOYSA-N 1 2 415.881 2.614 20 5 HFBDLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc([N+](=O)[O-])cc(Cl)n1)CC2 ZINC001164942515 721969521 /nfs/dbraw/zinc/96/95/21/721969521.db2.gz CNSNCQZJJAMKQJ-UHFFFAOYSA-N 1 2 415.881 2.614 20 5 HFBDLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1C ZINC000790838599 1078141062 /nfs/dbraw/zinc/14/10/62/1078141062.db2.gz PQBATKKTYGZEEI-UHFFFAOYSA-N 1 2 424.435 2.619 20 5 HFBDLO Cc1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1Br ZINC000804429305 1078474071 /nfs/dbraw/zinc/47/40/71/1078474071.db2.gz GUOSIXZDIOQMDI-UHFFFAOYSA-N 1 2 410.272 2.938 20 5 HFBDLO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000804451584 1078490620 /nfs/dbraw/zinc/49/06/20/1078490620.db2.gz PEMHNCGSGPCPMP-HNNXBMFYSA-N 1 2 418.885 2.956 20 5 HFBDLO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000804451584 1078490624 /nfs/dbraw/zinc/49/06/24/1078490624.db2.gz PEMHNCGSGPCPMP-HNNXBMFYSA-N 1 2 418.885 2.956 20 5 HFBDLO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259718 1079148936 /nfs/dbraw/zinc/14/89/36/1079148936.db2.gz KDWGRVIXIIOYRF-UTUOFQBUSA-N 1 2 400.273 2.585 20 5 HFBDLO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259718 1079148941 /nfs/dbraw/zinc/14/89/41/1079148941.db2.gz KDWGRVIXIIOYRF-UTUOFQBUSA-N 1 2 400.273 2.585 20 5 HFBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(Cl)cc1Cl ZINC000791417467 1077404064 /nfs/dbraw/zinc/40/40/64/1077404064.db2.gz FJEBJYDQYDWTGV-UHFFFAOYSA-N 1 2 417.274 2.808 20 5 HFBDLO COc1ccc(C[C@@H](C)[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC001170335919 1077947239 /nfs/dbraw/zinc/94/72/39/1077947239.db2.gz QZEFRDVALXZIHO-OLMNPRSZSA-N 1 2 421.494 2.855 20 5 HFBDLO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC001170335919 1077947240 /nfs/dbraw/zinc/94/72/40/1077947240.db2.gz QZEFRDVALXZIHO-OLMNPRSZSA-N 1 2 421.494 2.855 20 5 HFBDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@H]2C ZINC001170354889 1077948702 /nfs/dbraw/zinc/94/87/02/1077948702.db2.gz RKVJHIIQYRSVSN-KBPBESRZSA-N 1 2 402.451 2.984 20 5 HFBDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@H]2C ZINC001170354889 1077948704 /nfs/dbraw/zinc/94/87/04/1077948704.db2.gz RKVJHIIQYRSVSN-KBPBESRZSA-N 1 2 402.451 2.984 20 5 HFBDLO COc1ccc(C[C@H](C)[NH+]2CCN(C(=O)Cc3ccsc3)CC2)c([N+](=O)[O-])c1 ZINC001170354869 1077948762 /nfs/dbraw/zinc/94/87/62/1077948762.db2.gz QWYFBXRJIOUCHR-HNNXBMFYSA-N 1 2 403.504 2.983 20 5 HFBDLO NC(=O)c1cccc(C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)c1 ZINC001170358114 1077949764 /nfs/dbraw/zinc/94/97/64/1077949764.db2.gz MAXLWJDXWVWFDE-UHFFFAOYSA-N 1 2 402.838 2.950 20 5 HFBDLO NC(=O)c1cccc(C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)c1 ZINC001170358114 1077949765 /nfs/dbraw/zinc/94/97/65/1077949765.db2.gz MAXLWJDXWVWFDE-UHFFFAOYSA-N 1 2 402.838 2.950 20 5 HFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000806367129 1079653485 /nfs/dbraw/zinc/65/34/85/1079653485.db2.gz JJXPYMNTYADRSO-YPMHNXCESA-N 1 2 413.272 2.684 20 5 HFBDLO COC(=O)[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001130828412 1080242190 /nfs/dbraw/zinc/24/21/90/1080242190.db2.gz GPUSHTTZXMDQPB-LJQANCHMSA-N 1 2 424.413 2.775 20 5 HFBDLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC001164944714 721969236 /nfs/dbraw/zinc/96/92/36/721969236.db2.gz IYVLWLLRYNFCSY-UHFFFAOYSA-N 1 2 415.881 2.614 20 5 HFBDLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC001164944714 721969238 /nfs/dbraw/zinc/96/92/38/721969238.db2.gz IYVLWLLRYNFCSY-UHFFFAOYSA-N 1 2 415.881 2.614 20 5 HFBDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000793721757 1078266169 /nfs/dbraw/zinc/26/61/69/1078266169.db2.gz NCQCKASIPMOHHH-ZFWWWQNUSA-N 1 2 418.450 2.792 20 5 HFBDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000793721757 1078266174 /nfs/dbraw/zinc/26/61/74/1078266174.db2.gz NCQCKASIPMOHHH-ZFWWWQNUSA-N 1 2 418.450 2.792 20 5 HFBDLO Cc1cc(Cl)ccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000804776822 1078603126 /nfs/dbraw/zinc/60/31/26/1078603126.db2.gz IASHKHRIEFEOMI-UHFFFAOYSA-N 1 2 424.910 2.526 20 5 HFBDLO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[NH+](Cc2cccs2)CC1 ZINC000746715161 1077002163 /nfs/dbraw/zinc/00/21/63/1077002163.db2.gz DXOSCMWEKZGNBJ-UHFFFAOYSA-N 1 2 406.420 2.673 20 5 HFBDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000791267020 1077352798 /nfs/dbraw/zinc/35/27/98/1077352798.db2.gz ROVBEIVVHYTPNT-UHFFFAOYSA-N 1 2 408.414 2.952 20 5 HFBDLO CCc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000747013192 1077412872 /nfs/dbraw/zinc/41/28/72/1077412872.db2.gz VMUWMRXLDQHASU-UHFFFAOYSA-N 1 2 417.487 2.720 20 5 HFBDLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000791645164 1077508448 /nfs/dbraw/zinc/50/84/48/1077508448.db2.gz DBGMCHWZSJQCIZ-FPOVZHCZSA-N 1 2 414.458 2.932 20 5 HFBDLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000791645164 1077508454 /nfs/dbraw/zinc/50/84/54/1077508454.db2.gz DBGMCHWZSJQCIZ-FPOVZHCZSA-N 1 2 414.458 2.932 20 5 HFBDLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH+]c12 ZINC000746813224 1077555870 /nfs/dbraw/zinc/55/58/70/1077555870.db2.gz NXTHGDIDPBDFCW-UHFFFAOYSA-N 1 2 401.810 2.502 20 5 HFBDLO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000792386230 1077830080 /nfs/dbraw/zinc/83/00/80/1077830080.db2.gz SSGSJTYJYFLHON-UHFFFAOYSA-N 1 2 400.410 2.561 20 5 HFBDLO COc1ccc(C[C@@H](C)[N@@H+]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c([N+](=O)[O-])c1 ZINC001170334746 1077946783 /nfs/dbraw/zinc/94/67/83/1077946783.db2.gz ICMYDJKJVVIEBI-OAHLLOKOSA-N 1 2 421.494 2.856 20 5 HFBDLO COc1ccc(C[C@@H](C)[N@H+]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c([N+](=O)[O-])c1 ZINC001170334746 1077946787 /nfs/dbraw/zinc/94/67/87/1077946787.db2.gz ICMYDJKJVVIEBI-OAHLLOKOSA-N 1 2 421.494 2.856 20 5 HFBDLO COc1ccc(C[C@H](C)[N@@H+]2CCn3c(COc4ccccn4)nnc3C2)c([N+](=O)[O-])c1 ZINC001170341117 1077953081 /nfs/dbraw/zinc/95/30/81/1077953081.db2.gz NLGTYVAUGAJATI-HNNXBMFYSA-N 1 2 424.461 2.616 20 5 HFBDLO COc1ccc(C[C@H](C)[N@H+]2CCn3c(COc4ccccn4)nnc3C2)c([N+](=O)[O-])c1 ZINC001170341117 1077953083 /nfs/dbraw/zinc/95/30/83/1077953083.db2.gz NLGTYVAUGAJATI-HNNXBMFYSA-N 1 2 424.461 2.616 20 5 HFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000806367128 1079653445 /nfs/dbraw/zinc/65/34/45/1079653445.db2.gz JJXPYMNTYADRSO-WCQYABFASA-N 1 2 413.272 2.684 20 5 HFBDLO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)OCCc1c[nH+]cn1C ZINC000793257375 1078111962 /nfs/dbraw/zinc/11/19/62/1078111962.db2.gz FOAYWWAOMQGBJD-UHFFFAOYSA-N 1 2 415.187 2.641 20 5 HFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787505755 1076828799 /nfs/dbraw/zinc/82/87/99/1076828799.db2.gz BGDWFLWVLWZJHH-UHFFFAOYSA-N 1 2 409.358 2.592 20 5 HFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000787809908 1076966296 /nfs/dbraw/zinc/96/62/96/1076966296.db2.gz TWFCNEHZKYHPTG-VIFPVBQESA-N 1 2 415.191 2.606 20 5 HFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1F ZINC000788489096 1077178035 /nfs/dbraw/zinc/17/80/35/1077178035.db2.gz UYIMDKDFHCQESL-UHFFFAOYSA-N 1 2 411.430 2.816 20 5 HFBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000791270958 1077354303 /nfs/dbraw/zinc/35/43/03/1077354303.db2.gz LSPYGAQWIBPQDK-HNNXBMFYSA-N 1 2 400.483 2.934 20 5 HFBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000791270958 1077354309 /nfs/dbraw/zinc/35/43/09/1077354309.db2.gz LSPYGAQWIBPQDK-HNNXBMFYSA-N 1 2 400.483 2.934 20 5 HFBDLO CN(C)c1cc(F)c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000791304471 1077365750 /nfs/dbraw/zinc/36/57/50/1077365750.db2.gz DPRPHHTTZRRGLO-UHFFFAOYSA-N 1 2 402.426 2.884 20 5 HFBDLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000789442313 1077575146 /nfs/dbraw/zinc/57/51/46/1077575146.db2.gz LCZNRDBJSDUZSF-FQEVSTJZSA-N 1 2 418.498 2.523 20 5 HFBDLO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001170167113 1077869894 /nfs/dbraw/zinc/86/98/94/1077869894.db2.gz WGFWQRJHTDXICD-UHFFFAOYSA-N 1 2 419.445 2.920 20 5 HFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000804440379 1078504423 /nfs/dbraw/zinc/50/44/23/1078504423.db2.gz XHLCEIYPKREASH-AEFFLSMTSA-N 1 2 402.495 2.520 20 5 HFBDLO C[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2Br)CC1 ZINC000787390466 1076805641 /nfs/dbraw/zinc/80/56/41/1076805641.db2.gz SZANXEOXQVIBSX-UHFFFAOYSA-N 1 2 420.267 2.756 20 5 HFBDLO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])n2)c1C ZINC000791029782 1077275514 /nfs/dbraw/zinc/27/55/14/1077275514.db2.gz LJNWGQURAQXPAO-UHFFFAOYSA-N 1 2 418.360 2.786 20 5 HFBDLO O=C(OCc1ccccc1)[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000791645979 1077509417 /nfs/dbraw/zinc/50/94/17/1077509417.db2.gz KPIKPHHITZZPGB-AZUAARDMSA-N 1 2 414.458 2.932 20 5 HFBDLO O=C(OCc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000791645979 1077509423 /nfs/dbraw/zinc/50/94/23/1077509423.db2.gz KPIKPHHITZZPGB-AZUAARDMSA-N 1 2 414.458 2.932 20 5 HFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000789440348 1077574343 /nfs/dbraw/zinc/57/43/43/1077574343.db2.gz DAJOUINLXHNGIP-UHFFFAOYSA-N 1 2 404.373 2.951 20 5 HFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000789440348 1077574348 /nfs/dbraw/zinc/57/43/48/1077574348.db2.gz DAJOUINLXHNGIP-UHFFFAOYSA-N 1 2 404.373 2.951 20 5 HFBDLO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001170166991 1077869109 /nfs/dbraw/zinc/86/91/09/1077869109.db2.gz PTQAWQQTKSRSRS-UHFFFAOYSA-N 1 2 410.356 2.877 20 5 HFBDLO CCOC(=O)c1ncn2c1C[N@@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])CCC2 ZINC001170326986 1077944158 /nfs/dbraw/zinc/94/41/58/1077944158.db2.gz DSSXGBWUPKKQOX-AWEZNQCLSA-N 1 2 402.451 2.814 20 5 HFBDLO CCOC(=O)c1ncn2c1C[N@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])CCC2 ZINC001170326986 1077944161 /nfs/dbraw/zinc/94/41/61/1077944161.db2.gz DSSXGBWUPKKQOX-AWEZNQCLSA-N 1 2 402.451 2.814 20 5 HFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000806367125 1079653438 /nfs/dbraw/zinc/65/34/38/1079653438.db2.gz JJXPYMNTYADRSO-AAEUAGOBSA-N 1 2 413.272 2.684 20 5 HFBDLO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164674002 719514450 /nfs/dbraw/zinc/51/44/50/719514450.db2.gz YINMGORZJFRQDK-UHFFFAOYSA-N 1 2 416.453 2.547 20 5 HFBDLO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164674002 719514459 /nfs/dbraw/zinc/51/44/59/719514459.db2.gz YINMGORZJFRQDK-UHFFFAOYSA-N 1 2 416.453 2.547 20 5 HFBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001164916465 721814069 /nfs/dbraw/zinc/81/40/69/721814069.db2.gz DZMQRAFIKFIUMZ-UHFFFAOYSA-N 1 2 412.281 2.638 20 5 HFBDLO Cn1c[nH+]cc1CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000793364617 1078149074 /nfs/dbraw/zinc/14/90/74/1078149074.db2.gz FHCSLRJJXFJKEJ-UHFFFAOYSA-N 1 2 411.384 2.629 20 5 HFBDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000793721753 1078265850 /nfs/dbraw/zinc/26/58/50/1078265850.db2.gz NCQCKASIPMOHHH-HIFRSBDPSA-N 1 2 418.450 2.792 20 5 HFBDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000793721753 1078265855 /nfs/dbraw/zinc/26/58/55/1078265855.db2.gz NCQCKASIPMOHHH-HIFRSBDPSA-N 1 2 418.450 2.792 20 5 HFBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787380394 1076780744 /nfs/dbraw/zinc/78/07/44/1076780744.db2.gz AYDKRUHNTRHEGS-UHFFFAOYSA-N 1 2 422.283 2.700 20 5 HFBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788704099 1077264662 /nfs/dbraw/zinc/26/46/62/1077264662.db2.gz WMFNZTOJWUNTHX-UHFFFAOYSA-N 1 2 408.455 2.835 20 5 HFBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H](C)O1 ZINC000791013064 1077270875 /nfs/dbraw/zinc/27/08/75/1077270875.db2.gz RQZKTNYXSMBFLQ-TXEJJXNPSA-N 1 2 400.273 2.539 20 5 HFBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H](C)O1 ZINC000791013064 1077270878 /nfs/dbraw/zinc/27/08/78/1077270878.db2.gz RQZKTNYXSMBFLQ-TXEJJXNPSA-N 1 2 400.273 2.539 20 5 HFBDLO O=C(OCc1ccccc1)[C@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000791645165 1077508563 /nfs/dbraw/zinc/50/85/63/1077508563.db2.gz DBGMCHWZSJQCIZ-PZJWPPBQSA-N 1 2 414.458 2.932 20 5 HFBDLO O=C(OCc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000791645165 1077508566 /nfs/dbraw/zinc/50/85/66/1077508566.db2.gz DBGMCHWZSJQCIZ-PZJWPPBQSA-N 1 2 414.458 2.932 20 5 HFBDLO Nc1nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001164673924 719511977 /nfs/dbraw/zinc/51/19/77/719511977.db2.gz TVAIXCGAOBGPEZ-UHFFFAOYSA-N 1 2 401.442 2.583 20 5 HFBDLO Nc1nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001164673924 719511987 /nfs/dbraw/zinc/51/19/87/719511987.db2.gz TVAIXCGAOBGPEZ-UHFFFAOYSA-N 1 2 401.442 2.583 20 5 HFBDLO COc1cc(C(=O)OCCc2c[nH+]cn2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000793251633 1078110825 /nfs/dbraw/zinc/11/08/25/1078110825.db2.gz ZTMQVSJSFQWFIB-UHFFFAOYSA-N 1 2 418.431 2.772 20 5 HFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000804439945 1078504804 /nfs/dbraw/zinc/50/48/04/1078504804.db2.gz ODPFDEGPEGLATE-HKUYNNGSSA-N 1 2 416.522 2.766 20 5 HFBDLO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788040 1079255521 /nfs/dbraw/zinc/25/55/21/1079255521.db2.gz GIBPQLBDRDQJNS-MKBNYLNASA-N 1 2 416.400 2.701 20 5 HFBDLO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788040 1079255529 /nfs/dbraw/zinc/25/55/29/1079255529.db2.gz GIBPQLBDRDQJNS-MKBNYLNASA-N 1 2 416.400 2.701 20 5 HFBDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])cc(C)c3F)c2)CC1 ZINC000790970575 1077258837 /nfs/dbraw/zinc/25/88/37/1077258837.db2.gz GWJPXFFVWMJVQA-UHFFFAOYSA-N 1 2 414.437 2.959 20 5 HFBDLO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788841310 1077316924 /nfs/dbraw/zinc/31/69/24/1077316924.db2.gz LEGUCPIEIPLVIK-UHFFFAOYSA-N 1 2 408.462 2.884 20 5 HFBDLO CN(C)c1cc(F)c(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000791198855 1077321164 /nfs/dbraw/zinc/32/11/64/1077321164.db2.gz DKJPVDHCJADPKG-UHFFFAOYSA-N 1 2 416.453 2.637 20 5 HFBDLO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1nccc(Br)c1[N+](=O)[O-] ZINC001170167483 1077866313 /nfs/dbraw/zinc/86/63/13/1077866313.db2.gz JKFRRTZOQNKTNS-UHFFFAOYSA-N 1 2 421.255 2.620 20 5 HFBDLO CC(C)(C)c1ccc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000792959187 1078035992 /nfs/dbraw/zinc/03/59/92/1078035992.db2.gz KNWZPNLNBOBMJW-UHFFFAOYSA-N 1 2 411.462 2.575 20 5 HFBDLO C[N@H+](Cc1ccccc1)C1CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000804811975 1078657051 /nfs/dbraw/zinc/65/70/51/1078657051.db2.gz HNXPSDDRNGPDDY-UHFFFAOYSA-N 1 2 411.430 2.912 20 5 HFBDLO C[N@@H+](Cc1ccccc1)C1CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000804811975 1078657056 /nfs/dbraw/zinc/65/70/56/1078657056.db2.gz HNXPSDDRNGPDDY-UHFFFAOYSA-N 1 2 411.430 2.912 20 5 HFBDLO COc1cc(N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000804834289 1078675020 /nfs/dbraw/zinc/67/50/20/1078675020.db2.gz FFQWVXVYCGOXCQ-CQSZACIVSA-N 1 2 424.473 2.874 20 5 HFBDLO COc1ccc(C(=O)OCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000789791612 1077798515 /nfs/dbraw/zinc/79/85/15/1077798515.db2.gz GGIJRHYKVHOEPA-UHFFFAOYSA-N 1 2 423.466 2.703 20 5 HFBDLO COc1ccc(C(=O)OCC[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000789791612 1077798521 /nfs/dbraw/zinc/79/85/21/1077798521.db2.gz GGIJRHYKVHOEPA-UHFFFAOYSA-N 1 2 423.466 2.703 20 5 HFBDLO COc1ccc(C[C@H](C)[N@@H+]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c([N+](=O)[O-])c1 ZINC001170334745 1077946766 /nfs/dbraw/zinc/94/67/66/1077946766.db2.gz ICMYDJKJVVIEBI-HNNXBMFYSA-N 1 2 421.494 2.856 20 5 HFBDLO COc1ccc(C[C@H](C)[N@H+]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c([N+](=O)[O-])c1 ZINC001170334745 1077946770 /nfs/dbraw/zinc/94/67/70/1077946770.db2.gz ICMYDJKJVVIEBI-HNNXBMFYSA-N 1 2 421.494 2.856 20 5 HFBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000792873651 1078010555 /nfs/dbraw/zinc/01/05/55/1078010555.db2.gz DIRCLCPLKRACPM-GFCCVEGCSA-N 1 2 408.436 2.604 20 5 HFBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000790474836 1078039665 /nfs/dbraw/zinc/03/96/65/1078039665.db2.gz YKZDCWRWMDFUCW-MRXNPFEDSA-N 1 2 421.856 2.947 20 5 HFBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000790474836 1078039670 /nfs/dbraw/zinc/03/96/70/1078039670.db2.gz YKZDCWRWMDFUCW-MRXNPFEDSA-N 1 2 421.856 2.947 20 5 HFBDLO Cn1c[nH+]cc1CCC(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000793118681 1078083930 /nfs/dbraw/zinc/08/39/30/1078083930.db2.gz RNLQWORSCZVMJX-KRWDZBQOSA-N 1 2 414.462 2.889 20 5 HFBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790834176 1078160992 /nfs/dbraw/zinc/16/09/92/1078160992.db2.gz ZOMXTOWLVFSROF-NSHDSACASA-N 1 2 420.267 2.637 20 5 HFBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000804387918 1078446647 /nfs/dbraw/zinc/44/66/47/1078446647.db2.gz KWZZKTKWOVOMCS-UHFFFAOYSA-N 1 2 402.407 2.826 20 5 HFBDLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000804432131 1078476438 /nfs/dbraw/zinc/47/64/38/1078476438.db2.gz RYNAHJAUYXXHBG-UHFFFAOYSA-N 1 2 422.511 2.588 20 5 HFBDLO Cn1[nH]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001129562002 1078556833 /nfs/dbraw/zinc/55/68/33/1078556833.db2.gz XEFCBZXQKVMONB-UHFFFAOYSA-N 1 2 423.820 2.904 20 5 HFBDLO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000804833825 1078673911 /nfs/dbraw/zinc/67/39/11/1078673911.db2.gz MPQKFSABYZWMAE-OAHLLOKOSA-N 1 2 406.483 2.735 20 5 HFBDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000805826189 1079296158 /nfs/dbraw/zinc/29/61/58/1079296158.db2.gz RQGANMXNDOYYHM-CYBMUJFWSA-N 1 2 417.409 2.958 20 5 HFBDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000805826189 1079296162 /nfs/dbraw/zinc/29/61/62/1079296162.db2.gz RQGANMXNDOYYHM-CYBMUJFWSA-N 1 2 417.409 2.958 20 5 HFBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791221165 1077334208 /nfs/dbraw/zinc/33/42/08/1077334208.db2.gz RHCQIIWFEPATMY-UHFFFAOYSA-N 1 2 403.414 2.592 20 5 HFBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789707726 1077747759 /nfs/dbraw/zinc/74/77/59/1077747759.db2.gz BXEJOJYAKCGAOV-IBGZPJMESA-N 1 2 419.441 2.654 20 5 HFBDLO O=C1[C@@H]([NH+]2CCC(Oc3ccc(F)nc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000792389058 1077830901 /nfs/dbraw/zinc/83/09/01/1077830901.db2.gz GTTQTWSAUVTMHB-SFHVURJKSA-N 1 2 400.410 2.778 20 5 HFBDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@@H]2C ZINC001170354892 1077948949 /nfs/dbraw/zinc/94/89/49/1077948949.db2.gz RKVJHIIQYRSVSN-ZIAGYGMSSA-N 1 2 402.451 2.984 20 5 HFBDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@@H]2C ZINC001170354892 1077948951 /nfs/dbraw/zinc/94/89/51/1077948951.db2.gz RKVJHIIQYRSVSN-ZIAGYGMSSA-N 1 2 402.451 2.984 20 5 HFBDLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nccc(Cl)c1[N+](=O)[O-])CC2 ZINC001164947854 721969217 /nfs/dbraw/zinc/96/92/17/721969217.db2.gz RUHDBYIJDWYTPW-UHFFFAOYSA-N 1 2 415.881 2.614 20 5 HFBDLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nccc(Cl)c1[N+](=O)[O-])CC2 ZINC001164947854 721969219 /nfs/dbraw/zinc/96/92/19/721969219.db2.gz RUHDBYIJDWYTPW-UHFFFAOYSA-N 1 2 415.881 2.614 20 5 HFBDLO COc1cc(N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1[N+](=O)[O-] ZINC000804834238 1078675316 /nfs/dbraw/zinc/67/53/16/1078675316.db2.gz COIDQASNGQLHCB-INIZCTEOSA-N 1 2 406.483 2.735 20 5 HFBDLO Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c(C)c1[N+](=O)[O-] ZINC000790389984 1078012627 /nfs/dbraw/zinc/01/26/27/1078012627.db2.gz NZKQNDPYPWSKRY-UHFFFAOYSA-N 1 2 418.391 2.501 20 5 HFBDLO CCn1cc(S(=O)(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c([N+](=O)[O-])n1 ZINC000790425225 1078023543 /nfs/dbraw/zinc/02/35/43/1078023543.db2.gz ZKKABEKNNKUZGC-UHFFFAOYSA-N 1 2 417.447 2.779 20 5 HFBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)C2 ZINC001165008154 721712210 /nfs/dbraw/zinc/71/22/10/721712210.db2.gz BPBKGFFDBSXPSV-UHFFFAOYSA-N 1 2 422.493 2.894 20 5 HFBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)C2 ZINC001165008154 721712215 /nfs/dbraw/zinc/71/22/15/721712215.db2.gz BPBKGFFDBSXPSV-UHFFFAOYSA-N 1 2 422.493 2.894 20 5 HFBDLO O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000793114984 1078083304 /nfs/dbraw/zinc/08/33/04/1078083304.db2.gz BSJQQQILXZUEED-KRWDZBQOSA-N 1 2 400.435 2.879 20 5 HFBDLO O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000793114984 1078083310 /nfs/dbraw/zinc/08/33/10/1078083310.db2.gz BSJQQQILXZUEED-KRWDZBQOSA-N 1 2 400.435 2.879 20 5 HFBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790834172 1078160950 /nfs/dbraw/zinc/16/09/50/1078160950.db2.gz ZOMXTOWLVFSROF-LLVKDONJSA-N 1 2 420.267 2.637 20 5 HFBDLO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000804451585 1078490595 /nfs/dbraw/zinc/49/05/95/1078490595.db2.gz PEMHNCGSGPCPMP-OAHLLOKOSA-N 1 2 418.885 2.956 20 5 HFBDLO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000804451585 1078490597 /nfs/dbraw/zinc/49/05/97/1078490597.db2.gz PEMHNCGSGPCPMP-OAHLLOKOSA-N 1 2 418.885 2.956 20 5 HFBDLO CN(C)c1cc(F)c(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1[N+](=O)[O-] ZINC000791207667 1077343926 /nfs/dbraw/zinc/34/39/26/1077343926.db2.gz BMOAKYMZNZCNDE-UHFFFAOYSA-N 1 2 415.469 2.800 20 5 HFBDLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791941211 1077601426 /nfs/dbraw/zinc/60/14/26/1077601426.db2.gz ZTUYVTVKTVJWKW-SFHVURJKSA-N 1 2 415.402 2.837 20 5 HFBDLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791941211 1077601429 /nfs/dbraw/zinc/60/14/29/1077601429.db2.gz ZTUYVTVKTVJWKW-SFHVURJKSA-N 1 2 415.402 2.837 20 5 HFBDLO COc1ccc(C[C@@H](C)[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC001170352598 1077948460 /nfs/dbraw/zinc/94/84/60/1077948460.db2.gz OKVBPCGSQVOCGG-WBVHZDCISA-N 1 2 423.510 2.838 20 5 HFBDLO COc1ccc(C[C@@H](C)[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC001170352598 1077948464 /nfs/dbraw/zinc/94/84/64/1077948464.db2.gz OKVBPCGSQVOCGG-WBVHZDCISA-N 1 2 423.510 2.838 20 5 HFBDLO COc1ccc(C(=O)NCC(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)cc1[N+](=O)[O-] ZINC000746884856 1077965257 /nfs/dbraw/zinc/96/52/57/1077965257.db2.gz XASODZMVEYKFDB-UHFFFAOYSA-N 1 2 423.429 2.979 20 5 HFBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cc([N+](=O)[O-])c1F ZINC000790461689 1078027630 /nfs/dbraw/zinc/02/76/30/1078027630.db2.gz VRYLBDOWHAYVHK-MRXNPFEDSA-N 1 2 407.467 2.590 20 5 HFBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cc([N+](=O)[O-])c1F ZINC000790461689 1078027634 /nfs/dbraw/zinc/02/76/34/1078027634.db2.gz VRYLBDOWHAYVHK-MRXNPFEDSA-N 1 2 407.467 2.590 20 5 HFBDLO O=C(Nc1cncc(OCC(F)(F)F)n1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001130735127 1079977997 /nfs/dbraw/zinc/97/79/97/1079977997.db2.gz ODPOLSGFYNPIFH-UHFFFAOYSA-N 1 2 408.296 2.764 20 5 HFBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])C2 ZINC001165010267 721698900 /nfs/dbraw/zinc/69/89/00/721698900.db2.gz GHWRETGGJUKYNS-UHFFFAOYSA-N 1 2 415.285 2.534 20 5 HFBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])C2 ZINC001165010267 721698903 /nfs/dbraw/zinc/69/89/03/721698903.db2.gz GHWRETGGJUKYNS-UHFFFAOYSA-N 1 2 415.285 2.534 20 5 HFBDLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC001164949820 721969390 /nfs/dbraw/zinc/96/93/90/721969390.db2.gz YVFSVINMRAZBME-UHFFFAOYSA-N 1 2 415.881 2.614 20 5 HFBDLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC001164949820 721969391 /nfs/dbraw/zinc/96/93/91/721969391.db2.gz YVFSVINMRAZBME-UHFFFAOYSA-N 1 2 415.881 2.614 20 5 HFBDLO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1[N+](=O)[O-] ZINC000790855816 1078152209 /nfs/dbraw/zinc/15/22/09/1078152209.db2.gz DBVYWBQXSFKCGW-XHDPSFHLSA-N 1 2 423.451 2.588 20 5 HFBDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000793721751 1078265775 /nfs/dbraw/zinc/26/57/75/1078265775.db2.gz NCQCKASIPMOHHH-DZGCQCFKSA-N 1 2 418.450 2.792 20 5 HFBDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000793721751 1078265778 /nfs/dbraw/zinc/26/57/78/1078265778.db2.gz NCQCKASIPMOHHH-DZGCQCFKSA-N 1 2 418.450 2.792 20 5 HFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC001129772995 1078483113 /nfs/dbraw/zinc/48/31/13/1078483113.db2.gz KXZNWMNRMRPJMV-UHFFFAOYSA-N 1 2 414.300 2.849 20 5 HFBDLO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259447 1079147783 /nfs/dbraw/zinc/14/77/83/1079147783.db2.gz DOZRGOVHFDTFCW-SDDRHHMPSA-N 1 2 400.273 2.585 20 5 HFBDLO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259447 1079147790 /nfs/dbraw/zinc/14/77/90/1079147790.db2.gz DOZRGOVHFDTFCW-SDDRHHMPSA-N 1 2 400.273 2.585 20 5 HFBDLO COCN1C(=O)CCc2cc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)ccc21 ZINC000787946363 1077005402 /nfs/dbraw/zinc/00/54/02/1077005402.db2.gz PLGKSZFMNWIJMD-UHFFFAOYSA-N 1 2 421.413 2.916 20 5 HFBDLO COC(=O)COc1ccc(CNc2ccc([NH+]3CCC(O)CC3)cc2)cc1[N+](=O)[O-] ZINC000788960626 1077363687 /nfs/dbraw/zinc/36/36/87/1077363687.db2.gz JRBFHIAYHLRFNS-UHFFFAOYSA-N 1 2 415.446 2.720 20 5 HFBDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)CCCC2)no1 ZINC000791332996 1077376867 /nfs/dbraw/zinc/37/68/67/1077376867.db2.gz IPBQTPNXSODEEB-UHFFFAOYSA-N 1 2 420.445 2.740 20 5 HFBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000792814557 1078001959 /nfs/dbraw/zinc/00/19/59/1078001959.db2.gz ZBXVOXIUEOPMKS-UHFFFAOYSA-N 1 2 415.400 2.880 20 5 HFBDLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4ccc5cccnc5c4n3)CC2)C1=O ZINC001164636876 719270984 /nfs/dbraw/zinc/27/09/84/719270984.db2.gz YLMQFQWXZPNRMQ-UHFFFAOYSA-N 1 2 419.529 2.542 20 5 HFBDLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4ccc5cccnc5c4n3)CC2)C1=O ZINC001164636876 719270985 /nfs/dbraw/zinc/27/09/85/719270985.db2.gz YLMQFQWXZPNRMQ-UHFFFAOYSA-N 1 2 419.529 2.542 20 5 HFBDLO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165042963 721953445 /nfs/dbraw/zinc/95/34/45/721953445.db2.gz VFCRJZHWFGVNPM-UHFFFAOYSA-N 1 2 409.899 2.961 20 5 HFBDLO CN(C)c1ccc([NH+]2CCC(Nc3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)CC2)cc1 ZINC000804506327 1078541032 /nfs/dbraw/zinc/54/10/32/1078541032.db2.gz SQKZXDDZNVGJHJ-UHFFFAOYSA-N 1 2 424.505 2.932 20 5 HFBDLO Cc1cc(N2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC2)nc(C(C)C)[nH+]1 ZINC000791308319 1077381881 /nfs/dbraw/zinc/38/18/81/1077381881.db2.gz UAVDDOGIXJIFQF-UHFFFAOYSA-N 1 2 402.430 2.500 20 5 HFBDLO O=C(OCc1ccccc1)[C@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000791645166 1077508528 /nfs/dbraw/zinc/50/85/28/1077508528.db2.gz DBGMCHWZSJQCIZ-TZIWHRDSSA-N 1 2 414.458 2.932 20 5 HFBDLO O=C(OCc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000791645166 1077508533 /nfs/dbraw/zinc/50/85/33/1077508533.db2.gz DBGMCHWZSJQCIZ-TZIWHRDSSA-N 1 2 414.458 2.932 20 5 HFBDLO O=C1[C@H]([NH+]2CCC(Oc3ccc(F)nc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000792389056 1077830926 /nfs/dbraw/zinc/83/09/26/1077830926.db2.gz GTTQTWSAUVTMHB-GOSISDBHSA-N 1 2 400.410 2.778 20 5 HFBDLO CCOC(=O)c1cnn(C2CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC001170388020 1077957684 /nfs/dbraw/zinc/95/76/84/1077957684.db2.gz XOCUNSDNCJMBRF-UHFFFAOYSA-N 1 2 415.450 2.552 20 5 HFBDLO COC(=O)[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001130828411 1080242115 /nfs/dbraw/zinc/24/21/15/1080242115.db2.gz GPUSHTTZXMDQPB-IBGZPJMESA-N 1 2 424.413 2.775 20 5 HFBDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000793721755 1078266242 /nfs/dbraw/zinc/26/62/42/1078266242.db2.gz NCQCKASIPMOHHH-UKRRQHHQSA-N 1 2 418.450 2.792 20 5 HFBDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000793721755 1078266251 /nfs/dbraw/zinc/26/62/51/1078266251.db2.gz NCQCKASIPMOHHH-UKRRQHHQSA-N 1 2 418.450 2.792 20 5 HFBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)C[C@H](O)CNC(=O)OC(C)(C)C ZINC001170452009 1078534658 /nfs/dbraw/zinc/53/46/58/1078534658.db2.gz QJKFQKVJJHSORQ-CYBMUJFWSA-N 1 2 418.288 2.675 20 5 HFBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)C[C@H](O)CNC(=O)OC(C)(C)C ZINC001170452009 1078534663 /nfs/dbraw/zinc/53/46/63/1078534663.db2.gz QJKFQKVJJHSORQ-CYBMUJFWSA-N 1 2 418.288 2.675 20 5 HFBDLO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[NH+](Cc2ccsc2)CC1 ZINC000746715428 1077002582 /nfs/dbraw/zinc/00/25/82/1077002582.db2.gz TWPYTUFYPCNBJJ-UHFFFAOYSA-N 1 2 406.420 2.673 20 5 HFBDLO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000789485586 1077589876 /nfs/dbraw/zinc/58/98/76/1077589876.db2.gz IGBUQHHRJHUUIS-OAHLLOKOSA-N 1 2 423.466 2.636 20 5 HFBDLO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000789485586 1077589880 /nfs/dbraw/zinc/58/98/80/1077589880.db2.gz IGBUQHHRJHUUIS-OAHLLOKOSA-N 1 2 423.466 2.636 20 5 HFBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789707727 1077747857 /nfs/dbraw/zinc/74/78/57/1077747857.db2.gz BXEJOJYAKCGAOV-LJQANCHMSA-N 1 2 419.441 2.654 20 5 HFBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000792873654 1078013285 /nfs/dbraw/zinc/01/32/85/1078013285.db2.gz DIRCLCPLKRACPM-LBPRGKRZSA-N 1 2 408.436 2.604 20 5 HFBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000790459447 1078027026 /nfs/dbraw/zinc/02/70/26/1078027026.db2.gz JSFNVNTWPDRRTB-INIZCTEOSA-N 1 2 407.467 2.590 20 5 HFBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000790459447 1078027032 /nfs/dbraw/zinc/02/70/32/1078027032.db2.gz JSFNVNTWPDRRTB-INIZCTEOSA-N 1 2 407.467 2.590 20 5 HFBDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C2)CC1 ZINC000804834494 1078674959 /nfs/dbraw/zinc/67/49/59/1078674959.db2.gz IJPRJTVUEQYCSD-OAHLLOKOSA-N 1 2 417.510 2.694 20 5 HFBDLO COc1cc(N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1[N+](=O)[O-] ZINC000804834239 1078675438 /nfs/dbraw/zinc/67/54/38/1078675438.db2.gz COIDQASNGQLHCB-MRXNPFEDSA-N 1 2 406.483 2.735 20 5 HFBDLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000789442314 1077575170 /nfs/dbraw/zinc/57/51/70/1077575170.db2.gz LCZNRDBJSDUZSF-HXUWFJFHSA-N 1 2 418.498 2.523 20 5 HFBDLO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000792386896 1077829831 /nfs/dbraw/zinc/82/98/31/1077829831.db2.gz WNVBIFVNOUNEDH-UHFFFAOYSA-N 1 2 400.410 2.561 20 5 HFBDLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164944983 721970348 /nfs/dbraw/zinc/97/03/48/721970348.db2.gz LUQWTDDBYLHLQF-UHFFFAOYSA-N 1 2 415.881 2.614 20 5 HFBDLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164944983 721970356 /nfs/dbraw/zinc/97/03/56/721970356.db2.gz LUQWTDDBYLHLQF-UHFFFAOYSA-N 1 2 415.881 2.614 20 5 HFBDLO Cn1c[nH+]cc1CCC(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000793118685 1078083984 /nfs/dbraw/zinc/08/39/84/1078083984.db2.gz RNLQWORSCZVMJX-QGZVFWFLSA-N 1 2 414.462 2.889 20 5 HFBDLO O=C(NCc1cccc(N2CCOCC2)c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001129409254 1078442059 /nfs/dbraw/zinc/44/20/59/1078442059.db2.gz HRZQZHIEXARMPD-UHFFFAOYSA-N 1 2 407.430 2.547 20 5 HFBDLO Cc1ccc(NC2CC[NH+](CCS(C)(=O)=O)CC2)c([N+](=O)[O-])c1Br ZINC000804444527 1078511044 /nfs/dbraw/zinc/51/10/44/1078511044.db2.gz YKKNFPYXDSYMBI-UHFFFAOYSA-N 1 2 420.329 2.587 20 5 HFBDLO CS(=O)(=O)c1ccc(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001129572293 1078565438 /nfs/dbraw/zinc/56/54/38/1078565438.db2.gz JSPIVTJGMYRHNT-UHFFFAOYSA-N 1 2 401.400 2.541 20 5 HFBDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000791349932 1077390434 /nfs/dbraw/zinc/39/04/34/1077390434.db2.gz FFBFYEWIMSVTRR-UHFFFAOYSA-N 1 2 415.427 2.849 20 5 HFBDLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000791645163 1077508473 /nfs/dbraw/zinc/50/84/73/1077508473.db2.gz DBGMCHWZSJQCIZ-CTNGQTDRSA-N 1 2 414.458 2.932 20 5 HFBDLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000791645163 1077508481 /nfs/dbraw/zinc/50/84/81/1077508481.db2.gz DBGMCHWZSJQCIZ-CTNGQTDRSA-N 1 2 414.458 2.932 20 5 HFBDLO COc1ccc(C[C@H](C)[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC001170352597 1077948565 /nfs/dbraw/zinc/94/85/65/1077948565.db2.gz OKVBPCGSQVOCGG-RDJZCZTQSA-N 1 2 423.510 2.838 20 5 HFBDLO COc1ccc(C[C@H](C)[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC001170352597 1077948566 /nfs/dbraw/zinc/94/85/66/1077948566.db2.gz OKVBPCGSQVOCGG-RDJZCZTQSA-N 1 2 423.510 2.838 20 5 HFBDLO COc1ccc(C[C@H](C)[N@@H+]2CCn3c(COCC4CC4)nnc3C2)c([N+](=O)[O-])c1 ZINC001170339196 1077952385 /nfs/dbraw/zinc/95/23/85/1077952385.db2.gz IEAQCONXOJBTCF-AWEZNQCLSA-N 1 2 401.467 2.568 20 5 HFBDLO COc1ccc(C[C@H](C)[N@H+]2CCn3c(COCC4CC4)nnc3C2)c([N+](=O)[O-])c1 ZINC001170339196 1077952387 /nfs/dbraw/zinc/95/23/87/1077952387.db2.gz IEAQCONXOJBTCF-AWEZNQCLSA-N 1 2 401.467 2.568 20 5 HFBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000790132258 1077952909 /nfs/dbraw/zinc/95/29/09/1077952909.db2.gz MXDIYPPXUWVLRI-QGZVFWFLSA-N 1 2 404.511 2.624 20 5 HFBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000790421863 1078022537 /nfs/dbraw/zinc/02/25/37/1078022537.db2.gz HIJHDWKDNBNDMK-UHFFFAOYSA-N 1 2 400.416 2.957 20 5 HFBDLO CSc1nc(Cl)nc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c1[N+](=O)[O-] ZINC001164916595 721816293 /nfs/dbraw/zinc/81/62/93/721816293.db2.gz FGEXWXHQMHNUNJ-UHFFFAOYSA-N 1 2 423.930 2.706 20 5 HFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000804439948 1078504863 /nfs/dbraw/zinc/50/48/63/1078504863.db2.gz ODPFDEGPEGLATE-PKOBYXMFSA-N 1 2 416.522 2.766 20 5 HFBDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000791245115 1077357447 /nfs/dbraw/zinc/35/74/47/1077357447.db2.gz TZOMJYNZSVJCCT-UHFFFAOYSA-N 1 2 415.427 2.849 20 5 HFBDLO O=C(CC[N@@H+]1CCO[C@H](COc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000792376694 1077817535 /nfs/dbraw/zinc/81/75/35/1077817535.db2.gz KZSXYYTVJFSFNF-KRWDZBQOSA-N 1 2 403.410 2.842 20 5 HFBDLO O=C(CC[N@H+]1CCO[C@H](COc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000792376694 1077817542 /nfs/dbraw/zinc/81/75/42/1077817542.db2.gz KZSXYYTVJFSFNF-KRWDZBQOSA-N 1 2 403.410 2.842 20 5 HFBDLO Cc1nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001164677354 719527289 /nfs/dbraw/zinc/52/72/89/719527289.db2.gz CXZYJJICNGYIOY-UHFFFAOYSA-N 1 2 401.442 2.704 20 5 HFBDLO Cc1nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001164677354 719527300 /nfs/dbraw/zinc/52/73/00/719527300.db2.gz CXZYJJICNGYIOY-UHFFFAOYSA-N 1 2 401.442 2.704 20 5 HFBDLO Cc1cn2cc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)ccc2[nH+]1 ZINC000790634517 1078070508 /nfs/dbraw/zinc/07/05/08/1078070508.db2.gz NPUMVOSQFCFTDJ-UHFFFAOYSA-N 1 2 405.392 2.877 20 5 HFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000804439947 1078504700 /nfs/dbraw/zinc/50/47/00/1078504700.db2.gz ODPFDEGPEGLATE-MJGOQNOKSA-N 1 2 416.522 2.766 20 5 HFBDLO Cn1c[nH+]c(CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 ZINC001129538688 1078550375 /nfs/dbraw/zinc/55/03/75/1078550375.db2.gz WCBLUSZSQAQYJB-UHFFFAOYSA-N 1 2 409.233 2.793 20 5 HFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000787809907 1076966270 /nfs/dbraw/zinc/96/62/70/1076966270.db2.gz TWFCNEHZKYHPTG-SECBINFHSA-N 1 2 415.191 2.606 20 5 HFBDLO CS(=O)(=O)c1ccc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000792204300 1077745265 /nfs/dbraw/zinc/74/52/65/1077745265.db2.gz QMNYCQPRJMETSR-UHFFFAOYSA-N 1 2 401.400 2.541 20 5 HFBDLO O=C(CC[N@@H+]1CCO[C@@H](COc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000792376696 1077817490 /nfs/dbraw/zinc/81/74/90/1077817490.db2.gz KZSXYYTVJFSFNF-QGZVFWFLSA-N 1 2 403.410 2.842 20 5 HFBDLO O=C(CC[N@H+]1CCO[C@@H](COc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000792376696 1077817495 /nfs/dbraw/zinc/81/74/95/1077817495.db2.gz KZSXYYTVJFSFNF-QGZVFWFLSA-N 1 2 403.410 2.842 20 5 HFBDLO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170336577 1077947648 /nfs/dbraw/zinc/94/76/48/1077947648.db2.gz ZQCFPCAUELWPTK-BHYGNILZSA-N 1 2 421.494 2.855 20 5 HFBDLO COc1ccc(C[C@H](C)[N@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170336577 1077947650 /nfs/dbraw/zinc/94/76/50/1077947650.db2.gz ZQCFPCAUELWPTK-BHYGNILZSA-N 1 2 421.494 2.855 20 5 HFBDLO COc1ccc(C[C@@H](C)[N@@H+]2CCn3c(COCC4CC4)nnc3C2)c([N+](=O)[O-])c1 ZINC001170339197 1077952321 /nfs/dbraw/zinc/95/23/21/1077952321.db2.gz IEAQCONXOJBTCF-CQSZACIVSA-N 1 2 401.467 2.568 20 5 HFBDLO COc1ccc(C[C@@H](C)[N@H+]2CCn3c(COCC4CC4)nnc3C2)c([N+](=O)[O-])c1 ZINC001170339197 1077952324 /nfs/dbraw/zinc/95/23/24/1077952324.db2.gz IEAQCONXOJBTCF-CQSZACIVSA-N 1 2 401.467 2.568 20 5 HFBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000790132256 1077952930 /nfs/dbraw/zinc/95/29/30/1077952930.db2.gz MXDIYPPXUWVLRI-KRWDZBQOSA-N 1 2 404.511 2.624 20 5 HFBDLO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])n2)c1C ZINC000790160412 1077962715 /nfs/dbraw/zinc/96/27/15/1077962715.db2.gz FIZRXJYCRQSHQZ-UHFFFAOYSA-N 1 2 400.370 2.646 20 5 HFBDLO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)n2)c1C ZINC000790162058 1077963225 /nfs/dbraw/zinc/96/32/25/1077963225.db2.gz QVIHOLZRNLDJEZ-UHFFFAOYSA-N 1 2 418.360 2.786 20 5 HFBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000790459449 1078027139 /nfs/dbraw/zinc/02/71/39/1078027139.db2.gz JSFNVNTWPDRRTB-MRXNPFEDSA-N 1 2 407.467 2.590 20 5 HFBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000790459449 1078027143 /nfs/dbraw/zinc/02/71/43/1078027143.db2.gz JSFNVNTWPDRRTB-MRXNPFEDSA-N 1 2 407.467 2.590 20 5 HFBDLO O=[N+]([O-])c1cc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)cnc1Cl ZINC001164677113 719563235 /nfs/dbraw/zinc/56/32/35/719563235.db2.gz JGCSMTVHXROFAW-UHFFFAOYSA-N 1 2 410.768 2.984 20 5 HFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000804834027 1078675924 /nfs/dbraw/zinc/67/59/24/1078675924.db2.gz VBHUIKXVSRBMPJ-INIZCTEOSA-N 1 2 405.499 2.738 20 5 HFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000804834028 1078675967 /nfs/dbraw/zinc/67/59/67/1078675967.db2.gz VBHUIKXVSRBMPJ-MRXNPFEDSA-N 1 2 405.499 2.738 20 5 HFBDLO COc1cccc(N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000804835440 1078677628 /nfs/dbraw/zinc/67/76/28/1078677628.db2.gz UYNFUFUDZQMGET-HNNXBMFYSA-N 1 2 406.483 2.735 20 5 HFBDLO CCOC(=O)c1cccc([N+](=O)[O-])c1N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001170166361 1077863974 /nfs/dbraw/zinc/86/39/74/1077863974.db2.gz HITYLGZBSGQSAW-UHFFFAOYSA-N 1 2 413.434 2.640 20 5 HFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000772797729 1077902437 /nfs/dbraw/zinc/90/24/37/1077902437.db2.gz JBERGQKFUFNEQY-HOCLYGCPSA-N 1 2 410.902 2.762 20 5 HFBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000790474834 1078039552 /nfs/dbraw/zinc/03/95/52/1078039552.db2.gz YKZDCWRWMDFUCW-INIZCTEOSA-N 1 2 421.856 2.947 20 5 HFBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000790474834 1078039556 /nfs/dbraw/zinc/03/95/56/1078039556.db2.gz YKZDCWRWMDFUCW-INIZCTEOSA-N 1 2 421.856 2.947 20 5 HFBDLO