smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)C1 ZINC000769758168 1078543016 /nfs/dbraw/zinc/54/30/16/1078543016.db2.gz UBNDXXJSHLQJKU-GRDNDAEWSA-N 1 0 404.442 2.030 20 5 HEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(O)(c3ccccc3C(F)(F)F)CC2)c1 ZINC000769829234 1078591844 /nfs/dbraw/zinc/59/18/44/1078591844.db2.gz LSZKTWURYGPZQH-AWEZNQCLSA-N 1 0 414.384 2.155 20 5 HEBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000746246034 1078830376 /nfs/dbraw/zinc/83/03/76/1078830376.db2.gz DMOYJYFZMFUJLA-QGZVFWFLSA-N 1 0 418.498 2.431 20 5 HEBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000746246024 1078830385 /nfs/dbraw/zinc/83/03/85/1078830385.db2.gz DMOYJYFZMFUJLA-KRWDZBQOSA-N 1 0 418.498 2.431 20 5 HEBDRO C[NH+](C)CCCC1CCN(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000766383699 1078933300 /nfs/dbraw/zinc/93/33/00/1078933300.db2.gz ZVEGWOSATCVSEI-NRFANRHFSA-N 1 0 417.510 2.373 20 5 HEBDRO CC(C)CN(c1nc2c(cc1C(=O)N(C)C)CC[NH2+]CC2)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011869 1079098907 /nfs/dbraw/zinc/09/89/07/1079098907.db2.gz NAISEILAZOERDW-SJLPKXTDSA-N 1 0 417.554 2.379 20 5 HEBDRO Cc1cccc(CN2CCO[C@H]3C[N@@H+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)c1 ZINC001169027446 1079102273 /nfs/dbraw/zinc/10/22/73/1079102273.db2.gz PRVUUCNXVILYDF-NCYKPQTJSA-N 1 0 401.507 2.490 20 5 HEBDRO COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169027138 1079102309 /nfs/dbraw/zinc/10/23/09/1079102309.db2.gz ZXXIEYDVCIUKKB-FHWLQOOXSA-N 1 0 418.538 2.414 20 5 HEBDRO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169029725 1079102840 /nfs/dbraw/zinc/10/28/40/1079102840.db2.gz VPFIMBOGSZOVQP-LMCOJAPRSA-N 1 0 407.536 2.109 20 5 HEBDRO O=C(NCCc1cccs1)[C@H]1C[C@H]2OCC[C@H]2[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169021492 1079111601 /nfs/dbraw/zinc/11/16/01/1079111601.db2.gz OIBNFFXHHJUIOO-BEIYGRMHSA-N 1 0 407.536 2.332 20 5 HEBDRO CNC(=O)c1cc2c(nc1N(CC(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC[NH2+]CC2 ZINC001169023924 1079112583 /nfs/dbraw/zinc/11/25/83/1079112583.db2.gz VNARXSGUQOCYOM-NVXWUHKLSA-N 1 0 403.527 2.037 20 5 HEBDRO COC(=O)c1cc2c(nc1N(C)C1CC1)CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169024134 1079112594 /nfs/dbraw/zinc/11/25/94/1079112594.db2.gz QDHCBNHVDDMJRX-PBHICJAKSA-N 1 0 402.495 2.313 20 5 HEBDRO O=C(C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC001169024455 1079113140 /nfs/dbraw/zinc/11/31/40/1079113140.db2.gz HDRKFZPHJSGPHU-IRLDBZIGSA-N 1 0 414.550 2.488 20 5 HEBDRO COc1ccc(NC(=O)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC001169113348 1079160891 /nfs/dbraw/zinc/16/08/91/1079160891.db2.gz UBPQKZFIIIZXHK-HNNXBMFYSA-N 1 0 408.455 2.435 20 5 HEBDRO COc1ccc(NC(=O)CC[NH2+][C@@]2(CO)CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC001169698162 1079366241 /nfs/dbraw/zinc/36/62/41/1079366241.db2.gz QMYVYJQOUXFPJP-HXUWFJFHSA-N 1 0 401.419 2.192 20 5 HEBDRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000766845147 1079434564 /nfs/dbraw/zinc/43/45/64/1079434564.db2.gz CSAZIFDWRKBPIR-UHFFFAOYSA-N 1 0 406.302 2.320 20 5 HEBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000737958276 1075948020 /nfs/dbraw/zinc/94/80/20/1075948020.db2.gz XAPFIWLPPYANAB-MRXNPFEDSA-N 1 0 405.451 2.272 20 5 HEBDRO O=C(CN1CCC[C@H]([NH+]2CCCC2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000738334319 1075983509 /nfs/dbraw/zinc/98/35/09/1075983509.db2.gz GHSTZUVMUUWBCD-IBGZPJMESA-N 1 0 415.538 2.194 20 5 HEBDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742304046 1076812570 /nfs/dbraw/zinc/81/25/70/1076812570.db2.gz MKKOJRFLTCWHRS-JQWIXIFHSA-N 1 0 406.302 2.461 20 5 HEBDRO COc1cc(C[NH2+]C[C@@H](O)c2cnn(C)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000742375284 1076834849 /nfs/dbraw/zinc/83/48/49/1076834849.db2.gz CDVGWPSYSRSDRN-CYBMUJFWSA-N 1 0 404.345 2.101 20 5 HEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000744399280 1077373500 /nfs/dbraw/zinc/37/35/00/1077373500.db2.gz IGJBPAHJLWHBIS-JOCHJYFZSA-N 1 0 412.490 2.458 20 5 HEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766949277 1079542096 /nfs/dbraw/zinc/54/20/96/1079542096.db2.gz HKAGOUPZRQQFAX-QAPCUYQASA-N 1 0 417.466 2.254 20 5 HEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766962216 1079558191 /nfs/dbraw/zinc/55/81/91/1079558191.db2.gz RYAIWYMTLWFGBD-CRAIPNDOSA-N 1 0 417.466 2.254 20 5 HEBDRO CS[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000767315358 1079814956 /nfs/dbraw/zinc/81/49/56/1079814956.db2.gz NRXIUZAJXDQFKF-NEPJUHHUSA-N 1 0 424.342 2.023 20 5 HEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000785581545 1080060145 /nfs/dbraw/zinc/06/01/45/1080060145.db2.gz JPZWALLHVCBYGY-YUNKPMOVSA-N 1 0 418.402 2.087 20 5 HEBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cs1 ZINC000768883240 1080831124 /nfs/dbraw/zinc/83/11/24/1080831124.db2.gz YUSXKUZBBGYUJR-UHFFFAOYSA-N 1 0 411.505 2.092 20 5 HEBDRO [NH3+]CCN(c1ncc2cccc([N+](=O)[O-])c2n1)S(=O)(=O)c1cccc2cnccc21 ZINC001170065442 1080884802 /nfs/dbraw/zinc/88/48/02/1080884802.db2.gz FJAWDVPVBNCOPL-UHFFFAOYSA-N 1 0 424.442 2.240 20 5 HEBDRO [NH3+]CCN(c1cnc(Cl)cc1[N+](=O)[O-])S(=O)(=O)c1cccc2cnccc21 ZINC001170070550 1081058519 /nfs/dbraw/zinc/05/85/19/1081058519.db2.gz FTBOLFXNHRZNSI-UHFFFAOYSA-N 1 0 407.839 2.345 20 5 HEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000769451069 1081083601 /nfs/dbraw/zinc/08/36/01/1081083601.db2.gz JDWWGULEHZUVMX-RISCZKNCSA-N 1 0 418.313 2.462 20 5 HEBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@H]4C3)c(Cl)nn2)c1 ZINC001164399754 718844277 /nfs/dbraw/zinc/84/42/77/718844277.db2.gz FSZMQVXMUNUEAM-AWEZNQCLSA-N 1 0 424.839 2.344 20 5 HEBDRO CSc1nc(Cl)nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001164685047 719624389 /nfs/dbraw/zinc/62/43/89/719624389.db2.gz ZAPJRDQVGFVPMH-UHFFFAOYSA-N 1 0 411.919 2.432 20 5 HEBDRO Cc1nc(Cl)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164825316 720290522 /nfs/dbraw/zinc/29/05/22/720290522.db2.gz TUFJZWNSQYVXCG-HUUCEWRRSA-N 1 0 422.917 2.258 20 5 HEBDRO CCOc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001164833866 720329996 /nfs/dbraw/zinc/32/99/96/720329996.db2.gz XTJLQFMYKNNSKV-SJORKVTESA-N 1 0 417.510 2.300 20 5 HEBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])cc(Cl)n4)C3)O2)CC1 ZINC001164893626 721382733 /nfs/dbraw/zinc/38/27/33/721382733.db2.gz WFUALQAHCHXXRM-QFBILLFUSA-N 1 0 409.918 2.409 20 5 HEBDRO COc1cc(C)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164886609 721406532 /nfs/dbraw/zinc/40/65/32/721406532.db2.gz KHEIKKROCKOCGX-LAUBAEHRSA-N 1 0 419.526 2.072 20 5 HEBDRO COc1cc(C)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164886611 721406961 /nfs/dbraw/zinc/40/69/61/721406961.db2.gz KHEIKKROCKOCGX-UTKZUKDTSA-N 1 0 419.526 2.072 20 5 HEBDRO Cc1c(C)c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164890910 721418039 /nfs/dbraw/zinc/41/80/39/721418039.db2.gz UIBZRWWTMSXGGI-NQIIRXRSSA-N 1 0 403.527 2.372 20 5 HEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900314 721515273 /nfs/dbraw/zinc/51/52/73/721515273.db2.gz QBUZATZXJRHPRR-NVXWUHKLSA-N 1 0 416.409 2.257 20 5 HEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164907588 721567246 /nfs/dbraw/zinc/56/72/46/721567246.db2.gz OTSVKSGYKGXQMF-HOCLYGCPSA-N 1 0 416.409 2.257 20 5 HEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164928510 721850744 /nfs/dbraw/zinc/85/07/44/721850744.db2.gz NXAHAZQQDRDRJV-KGLIPLIRSA-N 1 0 411.890 2.035 20 5 HEBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001164935948 721880599 /nfs/dbraw/zinc/88/05/99/721880599.db2.gz YUICAZQEPBUFEA-ZJUUUORDSA-N 1 0 408.812 2.272 20 5 HEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(O)(c3ccccc3C(F)(F)F)CC2)c1 ZINC000769829235 1078591641 /nfs/dbraw/zinc/59/16/41/1078591641.db2.gz LSZKTWURYGPZQH-CQSZACIVSA-N 1 0 414.384 2.155 20 5 HEBDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000746454805 1078984675 /nfs/dbraw/zinc/98/46/75/1078984675.db2.gz HSMGTFPKSOHHOA-VGOFRKELSA-N 1 0 418.538 2.410 20 5 HEBDRO C[C@](CO)([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000746471837 1079036604 /nfs/dbraw/zinc/03/66/04/1079036604.db2.gz NKFROONMJYIOOS-OAQYLSRUSA-N 1 0 404.511 2.164 20 5 HEBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)C[C@]2(C)C1 ZINC001168929161 1079088195 /nfs/dbraw/zinc/08/81/95/1079088195.db2.gz GDVYLVXDQWGFKC-ROUUACIJSA-N 1 0 402.480 2.278 20 5 HEBDRO Cc1cccc(CN2C(=O)COC3(CC[NH+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)CC3)[C@@H]2C)n1 ZINC001169010664 1079098556 /nfs/dbraw/zinc/09/85/56/1079098556.db2.gz FHRNGXVDIFHXAQ-CMKODMSKSA-N 1 0 416.522 2.417 20 5 HEBDRO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@]2(CCCC(=O)N2)C1 ZINC001169011291 1079099098 /nfs/dbraw/zinc/09/90/98/1079099098.db2.gz JJCLNPBPNYDGOB-JXXFODFXSA-N 1 0 410.515 2.023 20 5 HEBDRO CC(C)(C)OC(=O)N1CCOC[C@]2(C1)C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CCCO2 ZINC001169014398 1079099762 /nfs/dbraw/zinc/09/97/62/1079099762.db2.gz ZDKBRYLISBNFJL-ABSDTBQOSA-N 1 0 413.515 2.160 20 5 HEBDRO CC(C)(C)OC(=O)N1CCOC[C@]2(C1)C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CCCO2 ZINC001169014399 1079099891 /nfs/dbraw/zinc/09/98/91/1079099891.db2.gz ZDKBRYLISBNFJL-FUHIMQAGSA-N 1 0 413.515 2.160 20 5 HEBDRO O=C(C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)N1CCN(c2ccccc2)CC1 ZINC001169038298 1079106561 /nfs/dbraw/zinc/10/65/61/1079106561.db2.gz XXDNSPZRYWRSAV-NQIIRXRSSA-N 1 0 400.523 2.493 20 5 HEBDRO O=C(C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)N1CCN(c2ccccc2)CC1 ZINC001169038299 1079106609 /nfs/dbraw/zinc/10/66/09/1079106609.db2.gz XXDNSPZRYWRSAV-RXVVDRJESA-N 1 0 400.523 2.493 20 5 HEBDRO CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169018065 1079111185 /nfs/dbraw/zinc/11/11/85/1079111185.db2.gz BIXJYPKVNBEPLK-YRISNDGFSA-N 1 0 415.494 2.096 20 5 HEBDRO Cc1nc(CN2C(=O)COC3(CC[NH+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)CC3)[C@@H]2C)cs1 ZINC001169022727 1079112040 /nfs/dbraw/zinc/11/20/40/1079112040.db2.gz SGPMHVJDAAYGSH-YXJHDRRASA-N 1 0 422.551 2.479 20 5 HEBDRO CCN1[C@H]2CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169024813 1079112436 /nfs/dbraw/zinc/11/24/36/1079112436.db2.gz QYJNSXNUTBHARG-BDXSIMOUSA-N 1 0 423.535 2.368 20 5 HEBDRO COc1ccc(CN2CCO[C@H]3C[N@@H+]([C@H]4CC[C@@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)cc1 ZINC001169026673 1079113989 /nfs/dbraw/zinc/11/39/89/1079113989.db2.gz YNLQTNTYKCYIKJ-JYRKZWEQSA-N 1 0 417.506 2.190 20 5 HEBDRO COc1ccc(CN2CCO[C@H]3C[N@@H+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)cc1 ZINC001169026675 1079114119 /nfs/dbraw/zinc/11/41/19/1079114119.db2.gz YNLQTNTYKCYIKJ-UKAVVXHISA-N 1 0 417.506 2.190 20 5 HEBDRO COc1cccc(C[C@@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC[NH2+]2)c1 ZINC001169251804 1079212452 /nfs/dbraw/zinc/21/24/52/1079212452.db2.gz PRKIVUVZCSDXEI-QGZVFWFLSA-N 1 0 421.457 2.446 20 5 HEBDRO O=C1CN(CN2CCC(C[NH+]3CCCC3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000738071954 1075957965 /nfs/dbraw/zinc/95/79/65/1075957965.db2.gz TVBMNZDOAJZDNL-UHFFFAOYSA-N 1 0 401.467 2.129 20 5 HEBDRO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[C@H]([NH+]3CCCC3)CC2)C1=O ZINC000738269072 1075977659 /nfs/dbraw/zinc/97/76/59/1075977659.db2.gz HRHROWHWGRYSIQ-UWJYYQICSA-N 1 0 415.494 2.270 20 5 HEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1C ZINC000740882051 1076282362 /nfs/dbraw/zinc/28/23/62/1076282362.db2.gz FVDKNDWPHLLDQH-FXAWDEMLSA-N 1 0 403.527 2.048 20 5 HEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000742305625 1076813216 /nfs/dbraw/zinc/81/32/16/1076813216.db2.gz WZVQKJMLFKPSSB-PWSUYJOCSA-N 1 0 406.302 2.318 20 5 HEBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742286375 1076816558 /nfs/dbraw/zinc/81/65/58/1076816558.db2.gz OORDOKXYFCAAKK-NSHDSACASA-N 1 0 406.302 2.368 20 5 HEBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742291206 1076818909 /nfs/dbraw/zinc/81/89/09/1076818909.db2.gz ZGZPQTJUIQSJAE-UHFFFAOYSA-N 1 0 406.302 2.320 20 5 HEBDRO CC(C)(C)OC(=O)N1CCC([N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000744392413 1077373699 /nfs/dbraw/zinc/37/36/99/1077373699.db2.gz MOADPQFIRATHBE-QGZVFWFLSA-N 1 0 409.487 2.016 20 5 HEBDRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCc2cc(OC)c(F)cc2[N+](=O)[O-])CC1=O ZINC000785651952 1080106773 /nfs/dbraw/zinc/10/67/73/1080106773.db2.gz WKOQVQZCHADKQA-ZFWWWQNUSA-N 1 0 423.441 2.119 20 5 HEBDRO O=c1c(Cl)c(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000785798367 1080268393 /nfs/dbraw/zinc/26/83/93/1080268393.db2.gz DEMARVGMXSMKMM-LSDHHAIUSA-N 1 0 405.842 2.069 20 5 HEBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCN3CC[NH2+]C[C@H]3C2)c(Cl)nn1 ZINC001164399572 718844237 /nfs/dbraw/zinc/84/42/37/718844237.db2.gz AAYSTAWXYMRMHN-LBPRGKRZSA-N 1 0 424.839 2.344 20 5 HEBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CC1 ZINC001164614110 719023916 /nfs/dbraw/zinc/02/39/16/719023916.db2.gz NLSBRSAIHAWMGG-UHFFFAOYSA-N 1 0 407.427 2.142 20 5 HEBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CC2 ZINC001164690051 719748307 /nfs/dbraw/zinc/74/83/07/719748307.db2.gz RDZXWLYGAGOQNI-UHFFFAOYSA-N 1 0 410.478 2.233 20 5 HEBDRO Cc1nc(Cl)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164825314 720290872 /nfs/dbraw/zinc/29/08/72/720290872.db2.gz TUFJZWNSQYVXCG-GJZGRUSLSA-N 1 0 422.917 2.258 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001164828200 720314411 /nfs/dbraw/zinc/31/44/11/720314411.db2.gz YYDKWHJEXHPMIV-PMACEKPBSA-N 1 0 424.505 2.450 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001164833789 720329753 /nfs/dbraw/zinc/32/97/53/720329753.db2.gz XPIIIAHVAQQDKA-DLBZAZTESA-N 1 0 412.494 2.383 20 5 HEBDRO COC(=O)c1cnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c([N+](=O)[O-])c1 ZINC001164859771 720945284 /nfs/dbraw/zinc/94/52/84/720945284.db2.gz NMCNMRQGBHZXNM-CYBMUJFWSA-N 1 0 402.455 2.394 20 5 HEBDRO O=[N+]([O-])c1ccc2ncc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164867533 721056989 /nfs/dbraw/zinc/05/69/89/721056989.db2.gz JNQDSDHRQDQFSN-ROUUACIJSA-N 1 0 406.446 2.413 20 5 HEBDRO CN(C)/C=C\c1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164769491 721192865 /nfs/dbraw/zinc/19/28/65/721192865.db2.gz MNZVUAZLENQURM-QKJYYDANSA-N 1 0 411.510 2.214 20 5 HEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900315 721515566 /nfs/dbraw/zinc/51/55/66/721515566.db2.gz QBUZATZXJRHPRR-RDJZCZTQSA-N 1 0 416.409 2.257 20 5 HEBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164906395 721534117 /nfs/dbraw/zinc/53/41/17/721534117.db2.gz KRXPSWSEXMSPIN-HOCLYGCPSA-N 1 0 403.414 2.183 20 5 HEBDRO COC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164904729 721538939 /nfs/dbraw/zinc/53/89/39/721538939.db2.gz GEKHYKAVSSVXNZ-ZBFHGGJFSA-N 1 0 416.409 2.257 20 5 HEBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983425 722100709 /nfs/dbraw/zinc/10/07/09/722100709.db2.gz QAPUBGXYWPAGGK-ZBFHGGJFSA-N 1 0 404.858 2.161 20 5 HEBDRO Cc1nc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164975469 722100784 /nfs/dbraw/zinc/10/07/84/722100784.db2.gz BWCFXXIIRVHUNJ-CVEARBPZSA-N 1 0 418.885 2.469 20 5 HEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981534 722105163 /nfs/dbraw/zinc/10/51/63/722105163.db2.gz LQELSINJCYRXQQ-CVEARBPZSA-N 1 0 418.885 2.469 20 5 HEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979182 722128584 /nfs/dbraw/zinc/12/85/84/722128584.db2.gz PMKVSZGOMQOWRM-NVXWUHKLSA-N 1 0 419.869 2.004 20 5 HEBDRO C[NH+](C)CCCC1CCN(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000766383701 1078933112 /nfs/dbraw/zinc/93/31/12/1078933112.db2.gz ZVEGWOSATCVSEI-OAQYLSRUSA-N 1 0 417.510 2.373 20 5 HEBDRO O=C1O[C@@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC001168969429 1079093700 /nfs/dbraw/zinc/09/37/00/1079093700.db2.gz DONNYTABUIUXPV-UXLLHSPISA-N 1 0 422.457 2.023 20 5 HEBDRO Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001296 1079096152 /nfs/dbraw/zinc/09/61/52/1079096152.db2.gz FKBFFVJHSBUQGX-HZPDHXFCSA-N 1 0 414.528 2.389 20 5 HEBDRO CC(C)CN(c1nc2c(cc1C(=O)N(C)C)CC[NH2+]CC2)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011868 1079099067 /nfs/dbraw/zinc/09/90/67/1079099067.db2.gz NAISEILAZOERDW-FUHWJXTLSA-N 1 0 417.554 2.379 20 5 HEBDRO Cc1cccc(CN2CC3(CC[NH+]([C@H]4CC[C@@H](C[N+](=O)[O-])C4)CC3)OCC2=O)n1 ZINC001169028992 1079102883 /nfs/dbraw/zinc/10/28/83/1079102883.db2.gz TTWUKFANPDFRFC-MJGOQNOKSA-N 1 0 402.495 2.029 20 5 HEBDRO COC(=O)c1cc2c(nc1N1CCCC1)CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169019264 1079111072 /nfs/dbraw/zinc/11/10/72/1079111072.db2.gz HCFUUUVKUNSSBL-DOTOQJQBSA-N 1 0 402.495 2.314 20 5 HEBDRO COC(=O)C[C@@](C)([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccn1 ZINC001169407760 1079253245 /nfs/dbraw/zinc/25/32/45/1079253245.db2.gz ILZXHBHKXCNGHK-HXUWFJFHSA-N 1 0 416.434 2.395 20 5 HEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000771509771 1079366095 /nfs/dbraw/zinc/36/60/95/1079366095.db2.gz LFMRQXDYJCFGID-JSGCOSHPSA-N 1 0 407.496 2.466 20 5 HEBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000737958708 1075947868 /nfs/dbraw/zinc/94/78/68/1075947868.db2.gz HLCWQZPNWYIRFD-UHFFFAOYSA-N 1 0 405.451 2.272 20 5 HEBDRO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[C@@H]([NH+]3CCCC3)CC2)C1=O ZINC000738269070 1075977734 /nfs/dbraw/zinc/97/77/34/1075977734.db2.gz HRHROWHWGRYSIQ-UTKZUKDTSA-N 1 0 415.494 2.270 20 5 HEBDRO O=C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000738334321 1075983988 /nfs/dbraw/zinc/98/39/88/1075983988.db2.gz GHSTZUVMUUWBCD-LJQANCHMSA-N 1 0 415.538 2.194 20 5 HEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)[C@@H](C)C1 ZINC000741589720 1076547638 /nfs/dbraw/zinc/54/76/38/1076547638.db2.gz NSDIPNLYVZJIKQ-VBQJREDUSA-N 1 0 406.458 2.276 20 5 HEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000742304426 1076813051 /nfs/dbraw/zinc/81/30/51/1076813051.db2.gz HBJAGMAPOHVGRI-MFKMUULPSA-N 1 0 406.302 2.318 20 5 HEBDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742297052 1076820940 /nfs/dbraw/zinc/82/09/40/1076820940.db2.gz UTWKXIRPIZDXII-NSHDSACASA-N 1 0 406.302 2.320 20 5 HEBDRO COC(=O)C1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000742393369 1076833731 /nfs/dbraw/zinc/83/37/31/1076833731.db2.gz BSEWBUXYTOUTNY-UHFFFAOYSA-N 1 0 406.439 2.238 20 5 HEBDRO Cc1c(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000743766444 1077119255 /nfs/dbraw/zinc/11/92/55/1077119255.db2.gz XOMSYXVEJZACIF-FQEVSTJZSA-N 1 0 414.418 2.178 20 5 HEBDRO Cc1cc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)cc([N+](=O)[O-])c1F ZINC000771769895 1079524312 /nfs/dbraw/zinc/52/43/12/1079524312.db2.gz QUMIMZWLBIEUTL-UHFFFAOYSA-N 1 0 403.476 2.210 20 5 HEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766962221 1079557886 /nfs/dbraw/zinc/55/78/86/1079557886.db2.gz RYAIWYMTLWFGBD-QAPCUYQASA-N 1 0 417.466 2.254 20 5 HEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000786813140 1080840088 /nfs/dbraw/zinc/84/00/88/1080840088.db2.gz KQYJFDKTUBCUIM-SDNWHVSQSA-N 1 0 420.447 2.474 20 5 HEBDRO C[NH+](C)CCNC(=O)C1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769159844 1080977634 /nfs/dbraw/zinc/97/76/34/1080977634.db2.gz FBQODULZUUEGPQ-UHFFFAOYSA-N 1 0 413.316 2.247 20 5 HEBDRO Cc1c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000769319213 1081041352 /nfs/dbraw/zinc/04/13/52/1081041352.db2.gz WRIPDGJCMNPJCR-WMZOPIPTSA-N 1 0 406.439 2.309 20 5 HEBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2 ZINC001164690813 719756911 /nfs/dbraw/zinc/75/69/11/719756911.db2.gz IPQDBNGZTDVFAH-UHFFFAOYSA-N 1 0 418.885 2.372 20 5 HEBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740061 720659913 /nfs/dbraw/zinc/65/99/13/720659913.db2.gz PLFNSCWXJBVNDM-WDEREUQCSA-N 1 0 411.249 2.429 20 5 HEBDRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@H]2C1 ZINC001164852551 720843604 /nfs/dbraw/zinc/84/36/04/720843604.db2.gz KUDUTIXRUFQTGK-JSGCOSHPSA-N 1 0 420.844 2.362 20 5 HEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)CC[C@@H]2C1 ZINC001164863022 720891688 /nfs/dbraw/zinc/89/16/88/720891688.db2.gz SJBJNVBFFSDPLF-DYVFJYSZSA-N 1 0 421.885 2.365 20 5 HEBDRO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)cnc2c1 ZINC001164868347 721062457 /nfs/dbraw/zinc/06/24/57/721062457.db2.gz NZKJDMSGONYHIR-ZWKOTPCHSA-N 1 0 406.446 2.413 20 5 HEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164765090 721084894 /nfs/dbraw/zinc/08/48/94/721084894.db2.gz IJJOMXDIJUWZQK-OLZOCXBDSA-N 1 0 423.930 2.452 20 5 HEBDRO CN(C)/C=C\c1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164871494 721138161 /nfs/dbraw/zinc/13/81/61/721138161.db2.gz DYXAYBAOFINKPQ-JZOYJOIISA-N 1 0 424.505 2.397 20 5 HEBDRO CC(C)Oc1nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164764072 721214473 /nfs/dbraw/zinc/21/44/73/721214473.db2.gz GCYZUQLJAPOTRJ-SJORKVTESA-N 1 0 400.483 2.469 20 5 HEBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc(Cl)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164894494 721383112 /nfs/dbraw/zinc/38/31/12/721383112.db2.gz YJYZUUZDADESFL-LPHOPBHVSA-N 1 0 409.918 2.409 20 5 HEBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])cc4Cl)C3)O2)CC1 ZINC001164887343 721383306 /nfs/dbraw/zinc/38/33/06/721383306.db2.gz HRZSSYCXNIRVKL-QFBILLFUSA-N 1 0 409.918 2.409 20 5 HEBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164932294 721885734 /nfs/dbraw/zinc/88/57/34/721885734.db2.gz IHHHXSVUVHDNCT-MSOLQXFVSA-N 1 0 400.458 2.406 20 5 HEBDRO Cc1nc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164975472 722100490 /nfs/dbraw/zinc/10/04/90/722100490.db2.gz BWCFXXIIRVHUNJ-JKSUJKDBSA-N 1 0 418.885 2.469 20 5 HEBDRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3cc([N+](=O)[O-])ccc31)CCC2 ZINC001164999607 722252907 /nfs/dbraw/zinc/25/29/07/722252907.db2.gz DYWHSJAQKAVZQA-UHFFFAOYSA-N 1 0 411.466 2.223 20 5 HEBDRO Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C2CCCC2)n1 ZINC001649138856 1078870608 /nfs/dbraw/zinc/87/06/08/1078870608.db2.gz OGSUCPJODCAQMA-UHFFFAOYSA-N 1 0 407.496 2.054 20 5 HEBDRO CCC[C@H]1CN(Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)CC[N@@H+]1CCOC ZINC000766382350 1078932739 /nfs/dbraw/zinc/93/27/39/1078932739.db2.gz VAWIOFSNYDEZBX-SFHVURJKSA-N 1 0 417.510 2.246 20 5 HEBDRO CCC[C@@H]1CN(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CC[N@@H+]1CCOC ZINC000766375880 1078943550 /nfs/dbraw/zinc/94/35/50/1078943550.db2.gz MBPBCTZPSUBWLF-LJQANCHMSA-N 1 0 415.494 2.209 20 5 HEBDRO Cc1nc(CN2CCN(C)C3(CC[NH+]([C@H]4CC[C@H](C[N+](=O)[O-])C4)CC3)C2=O)cs1 ZINC001169021541 1079111662 /nfs/dbraw/zinc/11/16/62/1079111662.db2.gz LJVQVHYHUPDKLP-WMZOPIPTSA-N 1 0 421.567 2.006 20 5 HEBDRO COC(=O)c1cc2c(nc1N(C)C1CC1)CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169024140 1079112565 /nfs/dbraw/zinc/11/25/65/1079112565.db2.gz QDHCBNHVDDMJRX-YOEHRIQHSA-N 1 0 402.495 2.313 20 5 HEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)C1 ZINC001169025290 1079112986 /nfs/dbraw/zinc/11/29/86/1079112986.db2.gz YKQIXNYDNGSVQA-XRXFAXGQSA-N 1 0 421.563 2.401 20 5 HEBDRO Cc1nc(N(CC2CC2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)nc2c1COC[C@@]21CC[NH2+]C1 ZINC001169026213 1079113563 /nfs/dbraw/zinc/11/35/63/1079113563.db2.gz VSTHFXLJMPRDHI-LZJOCLMNSA-N 1 0 401.511 2.208 20 5 HEBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001169525397 1079323344 /nfs/dbraw/zinc/32/33/44/1079323344.db2.gz HBBFSZOHJZUARX-UZLBHIALSA-N 1 0 410.474 2.351 20 5 HEBDRO NC(=O)c1nc(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)ccc1[N+](=O)[O-] ZINC001169607452 1079344104 /nfs/dbraw/zinc/34/41/04/1079344104.db2.gz SQPKRNXUGUTRDQ-UHFFFAOYSA-N 1 0 409.324 2.432 20 5 HEBDRO O=C1CN(CN2CCC[C@H]2C[NH+]2CCCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000738098559 1075960990 /nfs/dbraw/zinc/96/09/90/1075960990.db2.gz XUDGGEZGCSKHCN-SFHVURJKSA-N 1 0 401.467 2.271 20 5 HEBDRO Cc1nn(CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000738284580 1075978820 /nfs/dbraw/zinc/97/88/20/1075978820.db2.gz LWTBOAFAFUIIBV-UHFFFAOYSA-N 1 0 402.499 2.128 20 5 HEBDRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000738367076 1075998931 /nfs/dbraw/zinc/99/89/31/1075998931.db2.gz OSUVDDNRCCDFOA-UHFFFAOYSA-N 1 0 421.475 2.248 20 5 HEBDRO Cc1cc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc([N+](=O)[O-])c1F ZINC000771780713 1079503468 /nfs/dbraw/zinc/50/34/68/1079503468.db2.gz JYFFMOJTIMFUBC-RDJZCZTQSA-N 1 0 415.487 2.089 20 5 HEBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000739978535 1076089842 /nfs/dbraw/zinc/08/98/42/1076089842.db2.gz XLSCKYNMWKXDKY-LBPRGKRZSA-N 1 0 418.313 2.464 20 5 HEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1C ZINC000740882057 1076282120 /nfs/dbraw/zinc/28/21/20/1076282120.db2.gz FVDKNDWPHLLDQH-PXNSSMCTSA-N 1 0 403.527 2.048 20 5 HEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1C ZINC000740882063 1076282380 /nfs/dbraw/zinc/28/23/80/1076282380.db2.gz FVDKNDWPHLLDQH-YLJYHZDGSA-N 1 0 403.527 2.048 20 5 HEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000742118106 1076748086 /nfs/dbraw/zinc/74/80/86/1076748086.db2.gz KBAWTUMMQWAAEL-QGZVFWFLSA-N 1 0 402.495 2.379 20 5 HEBDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742304048 1076812533 /nfs/dbraw/zinc/81/25/33/1076812533.db2.gz MKKOJRFLTCWHRS-ZYHUDNBSSA-N 1 0 406.302 2.461 20 5 HEBDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[N@@H+]1C ZINC000742303637 1076812698 /nfs/dbraw/zinc/81/26/98/1076812698.db2.gz LEKSFRBAJGMNES-WDEREUQCSA-N 1 0 406.302 2.461 20 5 HEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742345344 1076831849 /nfs/dbraw/zinc/83/18/49/1076831849.db2.gz QHWBZENUKHQWPQ-LBPRGKRZSA-N 1 0 406.302 2.462 20 5 HEBDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000743843011 1077147839 /nfs/dbraw/zinc/14/78/39/1077147839.db2.gz KMMRDHQYZBOHBS-BPQIPLTHSA-N 1 0 423.514 2.264 20 5 HEBDRO C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000744402678 1077381098 /nfs/dbraw/zinc/38/10/98/1077381098.db2.gz PNYBJBOPFRVROR-ALKREAHSSA-N 1 0 411.503 2.215 20 5 HEBDRO O=C(C[NH+]1CCC(OCC2CC2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000744428047 1077390473 /nfs/dbraw/zinc/39/04/73/1077390473.db2.gz FFWKMZWVNMDKBH-UHFFFAOYSA-N 1 0 402.495 2.134 20 5 HEBDRO COC(=O)C1=NOC2(C1)CCN([C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000771783446 1079503815 /nfs/dbraw/zinc/50/38/15/1079503815.db2.gz BLCOHBHUMLJPRA-NSHDSACASA-N 1 0 424.841 2.359 20 5 HEBDRO CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[C@@H]1[NH+](C)C ZINC000767314021 1079813340 /nfs/dbraw/zinc/81/33/40/1079813340.db2.gz COAIAWAFYRYBNQ-STQMWFEESA-N 1 0 424.342 2.023 20 5 HEBDRO CN(C)c1cc(COC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)ccn1 ZINC000767472393 1079872399 /nfs/dbraw/zinc/87/23/99/1079872399.db2.gz FOWHBBJLFDAOTP-CYBMUJFWSA-N 1 0 402.382 2.291 20 5 HEBDRO O=C(COC(=O)CC1([NH+]2CCOCC2)CCCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000786094764 1080390268 /nfs/dbraw/zinc/39/02/68/1080390268.db2.gz ASWKGRNZBLOHKM-UHFFFAOYSA-N 1 0 409.414 2.251 20 5 HEBDRO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000786817569 1080841520 /nfs/dbraw/zinc/84/15/20/1080841520.db2.gz ZPUJMAYGEDNSDZ-NTEUORMPSA-N 1 0 418.475 2.135 20 5 HEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740867 720817201 /nfs/dbraw/zinc/81/72/01/720817201.db2.gz LVOCITYVOAHRRO-USXIJHARSA-N 1 0 401.446 2.100 20 5 HEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)CC[C@H]2C1 ZINC001164861689 720881325 /nfs/dbraw/zinc/88/13/25/720881325.db2.gz QASFFFHHKOCDCQ-OXJNMPFZSA-N 1 0 413.478 2.225 20 5 HEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164765098 721084060 /nfs/dbraw/zinc/08/40/60/721084060.db2.gz IJJOMXDIJUWZQK-QWHCGFSZSA-N 1 0 423.930 2.452 20 5 HEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164765108 721084156 /nfs/dbraw/zinc/08/41/56/721084156.db2.gz IJJOMXDIJUWZQK-STQMWFEESA-N 1 0 423.930 2.452 20 5 HEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164888198 721417101 /nfs/dbraw/zinc/41/71/01/721417101.db2.gz NLWKFCRAHYASRQ-RXVVDRJESA-N 1 0 403.527 2.372 20 5 HEBDRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164896802 721524260 /nfs/dbraw/zinc/52/42/60/721524260.db2.gz BNIPHSZICCEMBD-DOTOQJQBSA-N 1 0 416.409 2.257 20 5 HEBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164906396 721534330 /nfs/dbraw/zinc/53/43/30/721534330.db2.gz KRXPSWSEXMSPIN-ZBFHGGJFSA-N 1 0 403.414 2.183 20 5 HEBDRO CN(C)/C=C\c1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)ncc1[N+](=O)[O-] ZINC001165009811 721743940 /nfs/dbraw/zinc/74/39/40/721743940.db2.gz JDIZNPZKHUEGHA-WDZFZDKYSA-N 1 0 416.526 2.045 20 5 HEBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001164935945 721880543 /nfs/dbraw/zinc/88/05/43/721880543.db2.gz YUICAZQEPBUFEA-NXEZZACHSA-N 1 0 408.812 2.272 20 5 HEBDRO Cc1nc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164975470 722100754 /nfs/dbraw/zinc/10/07/54/722100754.db2.gz BWCFXXIIRVHUNJ-HOTGVXAUSA-N 1 0 418.885 2.469 20 5 HEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979187 722129145 /nfs/dbraw/zinc/12/91/45/722129145.db2.gz PMKVSZGOMQOWRM-WBVHZDCISA-N 1 0 419.869 2.004 20 5 HEBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000746014434 1078734087 /nfs/dbraw/zinc/73/40/87/1078734087.db2.gz FKBJHPTUWHWHAZ-KRWDZBQOSA-N 1 0 415.498 2.218 20 5 HEBDRO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000746430121 1078941927 /nfs/dbraw/zinc/94/19/27/1078941927.db2.gz VRQMOJHFYLFJJN-KRWDZBQOSA-N 1 0 422.507 2.362 20 5 HEBDRO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000746430063 1078943501 /nfs/dbraw/zinc/94/35/01/1078943501.db2.gz PRAHIQZCVNRFRP-MRXNPFEDSA-N 1 0 420.491 2.463 20 5 HEBDRO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(CCC[NH+](C)C)CC1 ZINC000766442887 1079006812 /nfs/dbraw/zinc/00/68/12/1079006812.db2.gz NOVUJVDVBYZLRX-UHFFFAOYSA-N 1 0 414.528 2.335 20 5 HEBDRO Cc1nc(-n2nnc(-c3cccc(C[NH3+])c3)n2)c([N+](=O)[O-])c(C)c1Br ZINC001168887249 1079068731 /nfs/dbraw/zinc/06/87/31/1079068731.db2.gz FKLVGXRTYMEURE-UHFFFAOYSA-N 1 0 404.228 2.471 20 5 HEBDRO CC(C)(C)OC(=O)N1CCOC[C@]2(C[C@H](C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CO2)C1 ZINC001168964682 1079092431 /nfs/dbraw/zinc/09/24/31/1079092431.db2.gz VFZWPLIFQAUOMS-VIPLHTEESA-N 1 0 413.515 2.064 20 5 HEBDRO CC(C)(C)OC(=O)N1CCOC[C@]2(C[C@H](C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CO2)C1 ZINC001168964683 1079092487 /nfs/dbraw/zinc/09/24/87/1079092487.db2.gz VFZWPLIFQAUOMS-WWNBULGVSA-N 1 0 413.515 2.064 20 5 HEBDRO CCOc1cc([C@H](CS(C)(=O)=O)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1OC ZINC001168971367 1079094113 /nfs/dbraw/zinc/09/41/13/1079094113.db2.gz JSMGHSONKCDEJE-IMJJTQAJSA-N 1 0 400.497 2.215 20 5 HEBDRO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001169011292 1079099071 /nfs/dbraw/zinc/09/90/71/1079099071.db2.gz JJCLNPBPNYDGOB-QINHECLXSA-N 1 0 410.515 2.023 20 5 HEBDRO COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169027141 1079102341 /nfs/dbraw/zinc/10/23/41/1079102341.db2.gz ZXXIEYDVCIUKKB-OTWHNJEPSA-N 1 0 418.538 2.414 20 5 HEBDRO COc1cc2ncnc(N3CC[NH+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)CC3)c2cc1OC ZINC001169034516 1079105208 /nfs/dbraw/zinc/10/52/08/1079105208.db2.gz GWIGLWSZHDPZQZ-LSDHHAIUSA-N 1 0 401.467 2.214 20 5 HEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC001169042096 1079108808 /nfs/dbraw/zinc/10/88/08/1079108808.db2.gz XNRQQOYPSBFPRE-UHFFFAOYSA-N 1 0 400.273 2.194 20 5 HEBDRO CN1CC2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)COc2ccccc2S1(=O)=O ZINC001169022227 1079111648 /nfs/dbraw/zinc/11/16/48/1079111648.db2.gz QXVAVADNORWRMI-IAGOWNOFSA-N 1 0 423.535 2.227 20 5 HEBDRO O=C(NC[C@@H]1CCC[C@]2(CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)O1)c1cscn1 ZINC001169025786 1079113047 /nfs/dbraw/zinc/11/30/47/1079113047.db2.gz UXPCXWLTRHWXCK-IUVQAAGXSA-N 1 0 408.524 2.332 20 5 HEBDRO CC(C)[NH+]1CCC(N2CCN(c3ccc([N+](=O)[O-])cc3C(=O)NC3CC3)CC2)CC1 ZINC000771188855 1079214215 /nfs/dbraw/zinc/21/42/15/1079214215.db2.gz SAQADDJXZXTTAF-UHFFFAOYSA-N 1 0 415.538 2.482 20 5 HEBDRO C[NH+](C)CC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000766845711 1079445170 /nfs/dbraw/zinc/44/51/70/1079445170.db2.gz FEXKBMHLILESEH-UHFFFAOYSA-N 1 0 406.302 2.320 20 5 HEBDRO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC001169934292 1079480700 /nfs/dbraw/zinc/48/07/00/1079480700.db2.gz ZKKGNRBAOXYKBA-HNAYVOBHSA-N 1 0 409.487 2.189 20 5 HEBDRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000771756887 1079487796 /nfs/dbraw/zinc/48/77/96/1079487796.db2.gz SSLFFINQAIORIL-GDBMZVCRSA-N 1 0 417.503 2.458 20 5 HEBDRO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[C@@H]2C[NH+]2CCCCC2)C1=O ZINC000738097028 1075960396 /nfs/dbraw/zinc/96/03/96/1075960396.db2.gz NMPWYICQJGRUDJ-NQIIRXRSSA-N 1 0 415.494 2.270 20 5 HEBDRO O=[N+]([O-])c1cccc(-c2ncn(CN3CCC(CC[NH+]4CCOCC4)CC3)n2)c1 ZINC000738110142 1075965737 /nfs/dbraw/zinc/96/57/37/1075965737.db2.gz BUGQWHTWMGOLFT-UHFFFAOYSA-N 1 0 400.483 2.245 20 5 HEBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[N@@H+](C3CCCC3)CC2)C1=O ZINC000738271790 1075978008 /nfs/dbraw/zinc/97/80/08/1075978008.db2.gz ZGENAUMLLBUUFW-OAQYLSRUSA-N 1 0 415.494 2.270 20 5 HEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)[C@H](C)C1 ZINC000741589717 1076547769 /nfs/dbraw/zinc/54/77/69/1076547769.db2.gz NSDIPNLYVZJIKQ-CPUCHLNUSA-N 1 0 406.458 2.276 20 5 HEBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000743644228 1077079069 /nfs/dbraw/zinc/07/90/69/1077079069.db2.gz IDVXOCGHBTXQOT-UHFFFAOYSA-N 1 0 410.434 2.473 20 5 HEBDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000743843125 1077147136 /nfs/dbraw/zinc/14/71/36/1077147136.db2.gz QTLPBIPTHMRCQU-QZTJIDSGSA-N 1 0 423.514 2.264 20 5 HEBDRO O=[N+]([O-])c1nn(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1Br ZINC000744440198 1077394965 /nfs/dbraw/zinc/39/49/65/1077394965.db2.gz CUZCHXDRBRKNDZ-UHFFFAOYSA-N 1 0 402.293 2.088 20 5 HEBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000744748444 1077566540 /nfs/dbraw/zinc/56/65/40/1077566540.db2.gz KVFKAUNRSUKMQT-CVEARBPZSA-N 1 0 405.451 2.268 20 5 HEBDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000804345094 1079534811 /nfs/dbraw/zinc/53/48/11/1079534811.db2.gz JCLPKNRALMOCEQ-UHFFFAOYSA-N 1 0 415.469 2.206 20 5 HEBDRO CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[C@H]1[NH+](C)C ZINC000767314016 1079813291 /nfs/dbraw/zinc/81/32/91/1079813291.db2.gz COAIAWAFYRYBNQ-CHWSQXEVSA-N 1 0 424.342 2.023 20 5 HEBDRO O=C1COc2cc([N+](=O)[O-])c(NCc3ccccc3C[N@H+]3CCC[C@H]3CO)cc2N1 ZINC000767312442 1079813316 /nfs/dbraw/zinc/81/33/16/1079813316.db2.gz QVELHDUIUVMNGS-INIZCTEOSA-N 1 0 412.446 2.495 20 5 HEBDRO CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[C@@H]1[NH+](C)C ZINC000767314019 1079813346 /nfs/dbraw/zinc/81/33/46/1079813346.db2.gz COAIAWAFYRYBNQ-QWHCGFSZSA-N 1 0 424.342 2.023 20 5 HEBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1n1ccnc1 ZINC000767432469 1079860968 /nfs/dbraw/zinc/86/09/68/1079860968.db2.gz FVDVHNNSRIVVOD-YLJYHZDGSA-N 1 0 412.494 2.023 20 5 HEBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cs1 ZINC000768886322 1080832377 /nfs/dbraw/zinc/83/23/77/1080832377.db2.gz BQNREFPWASZKGP-UHFFFAOYSA-N 1 0 403.526 2.169 20 5 HEBDRO Cc1cc(C(=O)NCC(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000769041748 1080892465 /nfs/dbraw/zinc/89/24/65/1080892465.db2.gz ASEODTCGFICEJB-UHFFFAOYSA-N 1 0 403.410 2.447 20 5 HEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000769451619 1081084584 /nfs/dbraw/zinc/08/45/84/1081084584.db2.gz LXHLGRCTDSBFBW-BXUZGUMPSA-N 1 0 418.313 2.462 20 5 HEBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCOCC34C[NH2+]C4)c(Cl)nn2)cc1 ZINC001164407109 718861152 /nfs/dbraw/zinc/86/11/52/718861152.db2.gz WPVPQJUBCOUGIH-UHFFFAOYSA-N 1 0 411.796 2.429 20 5 HEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164686214 719607228 /nfs/dbraw/zinc/60/72/28/719607228.db2.gz ZIRUWRQLRXGNET-UHFFFAOYSA-N 1 0 411.919 2.432 20 5 HEBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164683117 719709332 /nfs/dbraw/zinc/70/93/32/719709332.db2.gz IOLUMYWMKHXDEE-UHFFFAOYSA-N 1 0 418.885 2.372 20 5 HEBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001164718024 720125725 /nfs/dbraw/zinc/12/57/25/720125725.db2.gz QMCRYKYNFJAJCT-KRWDZBQOSA-N 1 0 412.494 2.475 20 5 HEBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc([N+](=O)[O-])cc1Cl)CCC2 ZINC001164811492 720210279 /nfs/dbraw/zinc/21/02/79/720210279.db2.gz INHAEEULZURDSQ-UHFFFAOYSA-N 1 0 406.874 2.450 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001164829748 720325948 /nfs/dbraw/zinc/32/59/48/720325948.db2.gz NFNKGNZHQLBTFR-SJORKVTESA-N 1 0 412.494 2.383 20 5 HEBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]21 ZINC001164841108 720524373 /nfs/dbraw/zinc/52/43/73/720524373.db2.gz XNMKKEGLVWAFOG-PVAVHDDUSA-N 1 0 415.454 2.472 20 5 HEBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740059 720659705 /nfs/dbraw/zinc/65/97/05/720659705.db2.gz PLFNSCWXJBVNDM-MNOVXSKESA-N 1 0 411.249 2.429 20 5 HEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)CC[C@H]2C1 ZINC001164861682 720881479 /nfs/dbraw/zinc/88/14/79/720881479.db2.gz QASFFFHHKOCDCQ-JXFKEZNVSA-N 1 0 413.478 2.225 20 5 HEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164863234 721021980 /nfs/dbraw/zinc/02/19/80/721021980.db2.gz UMJPUZCHPYIXRB-CYBMUJFWSA-N 1 0 402.455 2.394 20 5 HEBDRO O=[N+]([O-])c1ccc2ncc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164867529 721056616 /nfs/dbraw/zinc/05/66/16/721056616.db2.gz JNQDSDHRQDQFSN-MSOLQXFVSA-N 1 0 406.446 2.413 20 5 HEBDRO Cc1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164893569 721382784 /nfs/dbraw/zinc/38/27/84/721382784.db2.gz VEVLZQFEIDCVHP-KXBFYZLASA-N 1 0 424.933 2.112 20 5 HEBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164886230 721383214 /nfs/dbraw/zinc/38/32/14/721383214.db2.gz DRBMNRUWIQHAID-BEFAXECRSA-N 1 0 409.918 2.409 20 5 HEBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001164782830 721462094 /nfs/dbraw/zinc/46/20/94/721462094.db2.gz CSVJELONEDSVMX-QGZVFWFLSA-N 1 0 419.526 2.306 20 5 HEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164907589 721567069 /nfs/dbraw/zinc/56/70/69/721567069.db2.gz OTSVKSGYKGXQMF-ZBFHGGJFSA-N 1 0 416.409 2.257 20 5 HEBDRO Cc1nc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164975471 722100615 /nfs/dbraw/zinc/10/06/15/722100615.db2.gz BWCFXXIIRVHUNJ-HZPDHXFCSA-N 1 0 418.885 2.469 20 5 HEBDRO C[NH+]1CCN(Cc2ccc(CNC(=O)COc3ccc([N+](=O)[O-])c(F)c3)cc2)CC1 ZINC000746236336 1078828422 /nfs/dbraw/zinc/82/84/22/1078828422.db2.gz YMABQBAWUBHZEA-UHFFFAOYSA-N 1 0 416.453 2.177 20 5 HEBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCN(S(C)(=O)=O)CC1 ZINC000770327376 1078829760 /nfs/dbraw/zinc/82/97/60/1078829760.db2.gz ZSFHDRUQJUBCEU-UHFFFAOYSA-N 1 0 406.302 2.213 20 5 HEBDRO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169029727 1079103013 /nfs/dbraw/zinc/10/30/13/1079103013.db2.gz VPFIMBOGSZOVQP-RNQOJCNYSA-N 1 0 407.536 2.109 20 5 HEBDRO Cc1nc(CN2C(=O)COC3(CC[NH+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)CC3)[C@@H]2C)cs1 ZINC001169022725 1079111634 /nfs/dbraw/zinc/11/16/34/1079111634.db2.gz SGPMHVJDAAYGSH-QILLFSRXSA-N 1 0 422.551 2.479 20 5 HEBDRO CN(C)C(=O)c1cc2c(nc1N(CC1CC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC[NH2+]CC2 ZINC001169024383 1079112528 /nfs/dbraw/zinc/11/25/28/1079112528.db2.gz GWQKXBVPDUTZGY-FUHWJXTLSA-N 1 0 415.538 2.133 20 5 HEBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3ccnc(-n4ccc([N+](=O)[O-])n4)c3)C2)c1 ZINC001169150765 1079166495 /nfs/dbraw/zinc/16/64/95/1079166495.db2.gz VKVRVTHBERBDES-SFHVURJKSA-N 1 0 406.446 2.488 20 5 HEBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000771655626 1079426680 /nfs/dbraw/zinc/42/66/80/1079426680.db2.gz BQLLUGSLZAKBKM-LLVKDONJSA-N 1 0 417.279 2.252 20 5 HEBDRO Cc1cc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc([N+](=O)[O-])c1F ZINC000771744032 1079476919 /nfs/dbraw/zinc/47/69/19/1079476919.db2.gz UQLBOGLWHHIPMR-UHFFFAOYSA-N 1 0 415.487 2.165 20 5 HEBDRO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000738071434 1075958113 /nfs/dbraw/zinc/95/81/13/1075958113.db2.gz NGZHBDMJULRZDA-NRFANRHFSA-N 1 0 415.494 2.127 20 5 HEBDRO CC(C)[N@H+](C)CC1CCN(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000738091037 1075960136 /nfs/dbraw/zinc/96/01/36/1075960136.db2.gz SECDAQXLNCMYHD-OAQYLSRUSA-N 1 0 417.510 2.372 20 5 HEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000738513368 1075998880 /nfs/dbraw/zinc/99/88/80/1075998880.db2.gz KJQUEVAAIMHVFW-GJZGRUSLSA-N 1 0 419.482 2.442 20 5 HEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)[C@@H](C)C1 ZINC000741589722 1076547749 /nfs/dbraw/zinc/54/77/49/1076547749.db2.gz NSDIPNLYVZJIKQ-ZQIUZPCESA-N 1 0 406.458 2.276 20 5 HEBDRO CN1CCC(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)([NH+]2CCCCC2)CC1 ZINC000742010706 1076705672 /nfs/dbraw/zinc/70/56/72/1076705672.db2.gz IZFBUCPIEGUYKU-UHFFFAOYSA-N 1 0 414.510 2.011 20 5 HEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000742275246 1076808298 /nfs/dbraw/zinc/80/82/98/1076808298.db2.gz LOXKQSVSDCATSV-JTQLQIEISA-N 1 0 404.286 2.120 20 5 HEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000742305626 1076813198 /nfs/dbraw/zinc/81/31/98/1076813198.db2.gz WZVQKJMLFKPSSB-ZYHUDNBSSA-N 1 0 406.302 2.318 20 5 HEBDRO C[NH+]1CCC(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000742286309 1076816744 /nfs/dbraw/zinc/81/67/44/1076816744.db2.gz KKFISFHAFUMPKX-UHFFFAOYSA-N 1 0 406.302 2.368 20 5 HEBDRO O=C1OCCN1c1cccc2c1CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000743857412 1077144400 /nfs/dbraw/zinc/14/44/00/1077144400.db2.gz AYXFHJRCUWJACR-KRWDZBQOSA-N 1 0 413.430 2.349 20 5 HEBDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000744394323 1077374107 /nfs/dbraw/zinc/37/41/07/1077374107.db2.gz HRMWLIYYLBPIPZ-FGTMMUONSA-N 1 0 423.514 2.406 20 5 HEBDRO O=C(NCCC[NH+]1CCCC1)C1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804352420 1079828599 /nfs/dbraw/zinc/82/85/99/1079828599.db2.gz NLTATQGIAIQLEC-UHFFFAOYSA-N 1 0 405.455 2.322 20 5 HEBDRO COCC[C@H]1CCCC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000767940473 1080234118 /nfs/dbraw/zinc/23/41/18/1080234118.db2.gz MNIYJOQFVSJGRW-GOSISDBHSA-N 1 0 404.511 2.382 20 5 HEBDRO O=c1c(Cl)c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000785798366 1080268480 /nfs/dbraw/zinc/26/84/80/1080268480.db2.gz DEMARVGMXSMKMM-HUUCEWRRSA-N 1 0 405.842 2.069 20 5 HEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000786100253 1080395742 /nfs/dbraw/zinc/39/57/42/1080395742.db2.gz NXPUYWUJASHZBE-UHFFFAOYSA-N 1 0 405.451 2.420 20 5 HEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000786811769 1080839387 /nfs/dbraw/zinc/83/93/87/1080839387.db2.gz BVMPAKNLICOTBN-UVTDQMKNSA-N 1 0 420.447 2.474 20 5 HEBDRO COC(=O)[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2N)CCC[N@H+](Cc2ccccc2)C1 ZINC000787111945 1081005553 /nfs/dbraw/zinc/00/55/53/1081005553.db2.gz BCBMTXUBZJQIRP-NRFANRHFSA-N 1 0 412.446 2.115 20 5 HEBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000787117502 1081007063 /nfs/dbraw/zinc/00/70/63/1081007063.db2.gz SHIDBFLSFQTURG-UHFFFAOYSA-N 1 0 403.527 2.445 20 5 HEBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769532206 1081111767 /nfs/dbraw/zinc/11/17/67/1081111767.db2.gz IYSLJYYJZVFFKF-INIZCTEOSA-N 1 0 411.300 2.096 20 5 HEBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001164713974 720139690 /nfs/dbraw/zinc/13/96/90/720139690.db2.gz UODAZXIKBPWDET-SFHVURJKSA-N 1 0 412.494 2.475 20 5 HEBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc([N+](=O)[O-])cc(Cl)n1)CCC2 ZINC001164814594 720212001 /nfs/dbraw/zinc/21/20/01/720212001.db2.gz UYRGHFVTJLXYEZ-UHFFFAOYSA-N 1 0 406.874 2.450 20 5 HEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164814693 720225812 /nfs/dbraw/zinc/22/58/12/720225812.db2.gz VCWRWNKYEUCLOY-UHFFFAOYSA-N 1 0 400.483 2.414 20 5 HEBDRO CCOc1nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)ccc1[N+](=O)[O-] ZINC001164814536 720231287 /nfs/dbraw/zinc/23/12/87/720231287.db2.gz XKMWYYCUQYKQAT-UHFFFAOYSA-N 1 0 416.482 2.196 20 5 HEBDRO CC(C)[N@H+]1[C@@H]2CCN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840221 720551104 /nfs/dbraw/zinc/55/11/04/720551104.db2.gz SGIKNCXKGJTVTQ-OWCLPIDISA-N 1 0 420.901 2.456 20 5 HEBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164739878 720757051 /nfs/dbraw/zinc/75/70/51/720757051.db2.gz JFHJFGTZRNBQMC-MSOLQXFVSA-N 1 0 419.445 2.184 20 5 HEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(F)c1 ZINC001164745588 720822813 /nfs/dbraw/zinc/82/28/13/720822813.db2.gz WYSSSJWZRCWCCZ-UWWQBHOKSA-N 1 0 401.446 2.100 20 5 HEBDRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@@H]2C1 ZINC001164853355 720834948 /nfs/dbraw/zinc/83/49/48/720834948.db2.gz OJGNRXNKVFILHN-DOMZBBRYSA-N 1 0 420.844 2.362 20 5 HEBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])cc4Cl)C3)O2)CC1 ZINC001164887337 721383158 /nfs/dbraw/zinc/38/31/58/721383158.db2.gz HRZSSYCXNIRVKL-APWZRJJASA-N 1 0 409.918 2.409 20 5 HEBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164886235 721383580 /nfs/dbraw/zinc/38/35/80/721383580.db2.gz DRBMNRUWIQHAID-HNAYVOBHSA-N 1 0 409.918 2.409 20 5 HEBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001164791295 721465079 /nfs/dbraw/zinc/46/50/79/721465079.db2.gz WPMMGMGSZDHDAU-SFHVURJKSA-N 1 0 419.526 2.306 20 5 HEBDRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164896810 721524593 /nfs/dbraw/zinc/52/45/93/721524593.db2.gz BNIPHSZICCEMBD-RDJZCZTQSA-N 1 0 416.409 2.257 20 5 HEBDRO COC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164904727 721538787 /nfs/dbraw/zinc/53/87/87/721538787.db2.gz GEKHYKAVSSVXNZ-HOCLYGCPSA-N 1 0 416.409 2.257 20 5 HEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164904006 721543126 /nfs/dbraw/zinc/54/31/26/721543126.db2.gz FCJSCFCMFFQPNN-GDBMZVCRSA-N 1 0 408.817 2.363 20 5 HEBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164932296 721885768 /nfs/dbraw/zinc/88/57/68/721885768.db2.gz IHHHXSVUVHDNCT-ROUUACIJSA-N 1 0 400.458 2.406 20 5 HEBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971938 722121301 /nfs/dbraw/zinc/12/13/01/722121301.db2.gz DXEZIAYTRIAZQW-DOTOQJQBSA-N 1 0 419.869 2.004 20 5 HEBDRO C[C@H](CCN1CC[NH+](C)CC1)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000770221457 1078772695 /nfs/dbraw/zinc/77/26/95/1078772695.db2.gz CHQCDGHJNQWXNE-GFCCVEGCSA-N 1 0 406.455 2.029 20 5 HEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1 ZINC001169032957 1079104287 /nfs/dbraw/zinc/10/42/87/1079104287.db2.gz AFOOGHNWDXKVNT-FUHWJXTLSA-N 1 0 418.519 2.377 20 5 HEBDRO O=C1[C@@H]2CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001169030348 1079102818 /nfs/dbraw/zinc/10/28/18/1079102818.db2.gz YYKZCGSIMJDKAW-FFGOWVMKSA-N 1 0 405.470 2.320 20 5 HEBDRO O=C(C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)N1CCN(c2ccccc2)CC1 ZINC001169038297 1079106586 /nfs/dbraw/zinc/10/65/86/1079106586.db2.gz XXDNSPZRYWRSAV-GHTZIAJQSA-N 1 0 400.523 2.493 20 5 HEBDRO Cc1nc(N(CC2CC2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)nc2c1COC[C@]21CC[NH2+]C1 ZINC001169026211 1079113642 /nfs/dbraw/zinc/11/36/42/1079113642.db2.gz VSTHFXLJMPRDHI-CSODHUTKSA-N 1 0 401.511 2.208 20 5 HEBDRO COC(=O)C(C(=O)OC)c1ncc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC001169142051 1079164083 /nfs/dbraw/zinc/16/40/83/1079164083.db2.gz FOORGTZEVGQVRS-XCLFUZPHSA-N 1 0 422.482 2.375 20 5 HEBDRO COc1cccc(C[C@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC[NH2+]2)c1 ZINC001169251802 1079212324 /nfs/dbraw/zinc/21/23/24/1079212324.db2.gz PRKIVUVZCSDXEI-KRWDZBQOSA-N 1 0 421.457 2.446 20 5 HEBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000738071437 1075958062 /nfs/dbraw/zinc/95/80/62/1075958062.db2.gz NGZHBDMJULRZDA-OAQYLSRUSA-N 1 0 415.494 2.127 20 5 HEBDRO O=[N+]([O-])c1ccc(-c2ncn(CN3CCC(CC[NH+]4CCOCC4)CC3)n2)cc1 ZINC000738111752 1075965715 /nfs/dbraw/zinc/96/57/15/1075965715.db2.gz PSLGXULZFUPAPC-UHFFFAOYSA-N 1 0 400.483 2.245 20 5 HEBDRO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[N@@H+](C3CCCC3)CC2)C1=O ZINC000738271789 1075977989 /nfs/dbraw/zinc/97/79/89/1075977989.db2.gz ZGENAUMLLBUUFW-NRFANRHFSA-N 1 0 415.494 2.270 20 5 HEBDRO O=C1CN(CN2CCC[C@H]([NH+]3CCCC3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000738273374 1075978488 /nfs/dbraw/zinc/97/84/88/1075978488.db2.gz ZWOOLJSIBNXSCR-INIZCTEOSA-N 1 0 401.467 2.271 20 5 HEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1Br ZINC000739977766 1076089830 /nfs/dbraw/zinc/08/98/30/1076089830.db2.gz QTGYPNYJPJGOOI-LBPRGKRZSA-N 1 0 418.313 2.464 20 5 HEBDRO CC[C@@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[NH+](CC)CC ZINC000741032649 1076331320 /nfs/dbraw/zinc/33/13/20/1076331320.db2.gz LWGAYAMVKIASDH-AWEZNQCLSA-N 1 0 409.439 2.358 20 5 HEBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000742275235 1076808093 /nfs/dbraw/zinc/80/80/93/1076808093.db2.gz LGRIDUGLTQPUMY-SNVBAGLBSA-N 1 0 404.286 2.120 20 5 HEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000742304425 1076813072 /nfs/dbraw/zinc/81/30/72/1076813072.db2.gz HBJAGMAPOHVGRI-GXFFZTMASA-N 1 0 406.302 2.318 20 5 HEBDRO COc1cc(C[NH2+]C[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000742375285 1076834774 /nfs/dbraw/zinc/83/47/74/1076834774.db2.gz CDVGWPSYSRSDRN-ZDUSSCGKSA-N 1 0 404.345 2.101 20 5 HEBDRO CS[C@H]1CC[C@H](Nc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000742420357 1076836769 /nfs/dbraw/zinc/83/67/69/1076836769.db2.gz BISXTNOETLXPBT-STQMWFEESA-N 1 0 402.542 2.131 20 5 HEBDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000743843127 1077147071 /nfs/dbraw/zinc/14/70/71/1077147071.db2.gz QTLPBIPTHMRCQU-ZWKOTPCHSA-N 1 0 423.514 2.264 20 5 HEBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000744801897 1077598613 /nfs/dbraw/zinc/59/86/13/1077598613.db2.gz QHFQZNCRICCPGE-SNVBAGLBSA-N 1 0 403.220 2.271 20 5 HEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766956720 1079520145 /nfs/dbraw/zinc/52/01/45/1079520145.db2.gz VZNITNRZDNLSDB-DNVCBOLYSA-N 1 0 417.466 2.254 20 5 HEBDRO CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[C@H]1[NH+](C)C ZINC000767314018 1079813307 /nfs/dbraw/zinc/81/33/07/1079813307.db2.gz COAIAWAFYRYBNQ-OLZOCXBDSA-N 1 0 424.342 2.023 20 5 HEBDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804370144 1080836145 /nfs/dbraw/zinc/83/61/45/1080836145.db2.gz JFTVPZIAMZUJLK-UHFFFAOYSA-N 1 0 407.471 2.423 20 5 HEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000769451067 1081083538 /nfs/dbraw/zinc/08/35/38/1081083538.db2.gz JDWWGULEHZUVMX-BXUZGUMPSA-N 1 0 418.313 2.462 20 5 HEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000769451072 1081083625 /nfs/dbraw/zinc/08/36/25/1081083625.db2.gz JFPCAQYWIYFGID-AAEUAGOBSA-N 1 0 418.313 2.462 20 5 HEBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001164718595 720124989 /nfs/dbraw/zinc/12/49/89/720124989.db2.gz SYPBVOHGEKRLGH-QGZVFWFLSA-N 1 0 412.494 2.475 20 5 HEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164814464 720141755 /nfs/dbraw/zinc/14/17/55/720141755.db2.gz SXFLPOJQPOPEIN-KKSFZXQISA-N 1 0 418.494 2.351 20 5 HEBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(Cl)cc1[N+](=O)[O-])CCC2 ZINC001164810288 720211727 /nfs/dbraw/zinc/21/17/27/720211727.db2.gz BERVIMWUXCOLOK-UHFFFAOYSA-N 1 0 406.874 2.450 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001164820126 720313578 /nfs/dbraw/zinc/31/35/78/720313578.db2.gz GUIDKIKQHFFOTO-PMACEKPBSA-N 1 0 424.505 2.450 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001164820132 720313974 /nfs/dbraw/zinc/31/39/74/720313974.db2.gz GUIDKIKQHFFOTO-VQTJNVASSA-N 1 0 424.505 2.450 20 5 HEBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841106 720523949 /nfs/dbraw/zinc/52/39/49/720523949.db2.gz XNMKKEGLVWAFOG-HYVNUMGLSA-N 1 0 415.454 2.472 20 5 HEBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164739881 720756379 /nfs/dbraw/zinc/75/63/79/720756379.db2.gz JFHJFGTZRNBQMC-ZWKOTPCHSA-N 1 0 419.445 2.184 20 5 HEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740858 720817242 /nfs/dbraw/zinc/81/72/42/720817242.db2.gz LVOCITYVOAHRRO-BHYGNILZSA-N 1 0 401.446 2.100 20 5 HEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164854180 720852309 /nfs/dbraw/zinc/85/23/09/720852309.db2.gz PUQJYJZGGRWEIM-WCQYABFASA-N 1 0 405.282 2.470 20 5 HEBDRO Cc1cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164750486 720950711 /nfs/dbraw/zinc/95/07/11/720950711.db2.gz KGQVOOGUAYCBIM-UHFFFAOYSA-N 1 0 424.461 2.294 20 5 HEBDRO COc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc(OC)c1[N+](=O)[O-] ZINC001164859315 720961366 /nfs/dbraw/zinc/96/13/66/720961366.db2.gz MQIILEABHSQQEX-LBPRGKRZSA-N 1 0 405.459 2.020 20 5 HEBDRO CC(C)Oc1nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164764069 721213479 /nfs/dbraw/zinc/21/34/79/721213479.db2.gz GCYZUQLJAPOTRJ-IAGOWNOFSA-N 1 0 400.483 2.469 20 5 HEBDRO Cc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164893567 721382680 /nfs/dbraw/zinc/38/26/80/721382680.db2.gz VEVLZQFEIDCVHP-DNVCBOLYSA-N 1 0 424.933 2.112 20 5 HEBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)cc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164888868 721402390 /nfs/dbraw/zinc/40/23/90/721402390.db2.gz PACDRZVZQZUBIP-LPHOPBHVSA-N 1 0 409.918 2.409 20 5 HEBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)ncc1[N+](=O)[O-])CC2 ZINC001164789893 721458523 /nfs/dbraw/zinc/45/85/23/721458523.db2.gz YFLYTTQSSAGCTO-GOSISDBHSA-N 1 0 419.526 2.427 20 5 HEBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164908438 721584082 /nfs/dbraw/zinc/58/40/82/721584082.db2.gz ZGERYYGNYOWJAO-GOSISDBHSA-N 1 0 405.405 2.361 20 5 HEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981539 722105186 /nfs/dbraw/zinc/10/51/86/722105186.db2.gz LQELSINJCYRXQQ-JKSUJKDBSA-N 1 0 418.885 2.469 20 5 HEBDRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3ccc([N+](=O)[O-])cc31)CCC2 ZINC001165000436 722253042 /nfs/dbraw/zinc/25/30/42/722253042.db2.gz PJDWVPIVBXZGBI-UHFFFAOYSA-N 1 0 411.466 2.223 20 5 HEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000770216649 1078791063 /nfs/dbraw/zinc/79/10/63/1078791063.db2.gz QMOQOQPDMQAGMB-UHFFFAOYSA-N 1 0 401.485 2.077 20 5 HEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000770299057 1078821251 /nfs/dbraw/zinc/82/12/51/1078821251.db2.gz GABGGMPRJUMLAA-UHFFFAOYSA-N 1 0 418.947 2.251 20 5 HEBDRO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccccc1)[NH+](C)C ZINC000746429929 1078944086 /nfs/dbraw/zinc/94/40/86/1078944086.db2.gz ODZBFKSPZCWIPA-QGZVFWFLSA-N 1 0 408.480 2.492 20 5 HEBDRO COc1cc(C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC001168792080 1078996701 /nfs/dbraw/zinc/99/67/01/1078996701.db2.gz QFPFRUMRRLJTCG-OAQYLSRUSA-N 1 0 417.437 2.452 20 5 HEBDRO CCOc1cc([C@@H](CS(C)(=O)=O)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1OC ZINC001168971370 1079094084 /nfs/dbraw/zinc/09/40/84/1079094084.db2.gz JSMGHSONKCDEJE-VNQPRFMTSA-N 1 0 400.497 2.215 20 5 HEBDRO CCOc1cc([C@H](CS(C)(=O)=O)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1OC ZINC001168971363 1079094105 /nfs/dbraw/zinc/09/41/05/1079094105.db2.gz JSMGHSONKCDEJE-BMFZPTHFSA-N 1 0 400.497 2.215 20 5 HEBDRO CC(C)(C)OC(=O)N1CCN(C(=O)C2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169011945 1079098950 /nfs/dbraw/zinc/09/89/50/1079098950.db2.gz NVKOBLPXJXFXDG-SJLPKXTDSA-N 1 0 424.542 2.223 20 5 HEBDRO O=C1[C@@H]2CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001169030347 1079103001 /nfs/dbraw/zinc/10/30/01/1079103001.db2.gz YYKZCGSIMJDKAW-AFYVEPGGSA-N 1 0 405.470 2.320 20 5 HEBDRO Cc1nc(CN2C(=O)COC3(CC[NH+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)CC3)[C@H]2C)cs1 ZINC001169022724 1079111612 /nfs/dbraw/zinc/11/16/12/1079111612.db2.gz SGPMHVJDAAYGSH-QGPMSJSTSA-N 1 0 422.551 2.479 20 5 HEBDRO O=C(NC[C@@H]1CCC[C@]2(CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)O1)c1cscn1 ZINC001169025787 1079113121 /nfs/dbraw/zinc/11/31/21/1079113121.db2.gz UXPCXWLTRHWXCK-OAFZBRQQSA-N 1 0 408.524 2.332 20 5 HEBDRO CC1(C)C[C@H](Nc2nc(S(C)(=O)=O)nc(Cl)c2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169139057 1079156255 /nfs/dbraw/zinc/15/62/55/1079156255.db2.gz XUTNDGGWHKZNRO-BJOHPYRUSA-N 1 0 405.908 2.397 20 5 HEBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000771581740 1079380140 /nfs/dbraw/zinc/38/01/40/1079380140.db2.gz LRHMYTUOTIFCBM-LBPRGKRZSA-N 1 0 416.247 2.480 20 5 HEBDRO O=C1CN(CN2CCC[C@@H]([NH+]3CCCC3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000738273376 1075978504 /nfs/dbraw/zinc/97/85/04/1075978504.db2.gz ZWOOLJSIBNXSCR-MRXNPFEDSA-N 1 0 401.467 2.271 20 5 HEBDRO Cc1cc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc([N+](=O)[O-])c1F ZINC000771779819 1079502301 /nfs/dbraw/zinc/50/23/01/1079502301.db2.gz JYFFMOJTIMFUBC-DOTOQJQBSA-N 1 0 415.487 2.089 20 5 HEBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000739978534 1076089875 /nfs/dbraw/zinc/08/98/75/1076089875.db2.gz XLSCKYNMWKXDKY-GFCCVEGCSA-N 1 0 418.313 2.464 20 5 HEBDRO Cn1cnnc1Sc1ccc(C(=O)N2CCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000742184478 1076775071 /nfs/dbraw/zinc/77/50/71/1076775071.db2.gz VMMODWSYKTVIEJ-UHFFFAOYSA-N 1 0 402.480 2.185 20 5 HEBDRO C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C[NH+]1CCCC1 ZINC000742279851 1076809456 /nfs/dbraw/zinc/80/94/56/1076809456.db2.gz YFMZNLMZTZTSRB-LLVKDONJSA-N 1 0 406.302 2.368 20 5 HEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000742305624 1076813263 /nfs/dbraw/zinc/81/32/63/1076813263.db2.gz WZVQKJMLFKPSSB-JQWIXIFHSA-N 1 0 406.302 2.318 20 5 HEBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742286374 1076816500 /nfs/dbraw/zinc/81/65/00/1076816500.db2.gz OORDOKXYFCAAKK-LLVKDONJSA-N 1 0 406.302 2.368 20 5 HEBDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000744394325 1077373968 /nfs/dbraw/zinc/37/39/68/1077373968.db2.gz HRMWLIYYLBPIPZ-OKZBNKHCSA-N 1 0 423.514 2.406 20 5 HEBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c([N+](=O)[O-])c1 ZINC000744408424 1077382914 /nfs/dbraw/zinc/38/29/14/1077382914.db2.gz ZWROEGNJOGQRSJ-CYBMUJFWSA-N 1 0 403.395 2.472 20 5 HEBDRO C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000745334879 1077805284 /nfs/dbraw/zinc/80/52/84/1077805284.db2.gz YMOJMSXQWPYEGH-LPHOPBHVSA-N 1 0 411.458 2.460 20 5 HEBDRO CS[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000767315779 1079814472 /nfs/dbraw/zinc/81/44/72/1079814472.db2.gz SBZNQZXBTTWPGI-OLZOCXBDSA-N 1 0 424.342 2.023 20 5 HEBDRO O=C(NCC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1)OCc1ccccc1 ZINC000786110138 1080402763 /nfs/dbraw/zinc/40/27/63/1080402763.db2.gz LNHAAZHJPHOZBX-UHFFFAOYSA-N 1 0 414.462 2.395 20 5 HEBDRO CC[NH+]1CCN(Cc2ccccc2CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768805227 1080781985 /nfs/dbraw/zinc/78/19/85/1080781985.db2.gz MQTKULOBGIMKSD-UHFFFAOYSA-N 1 0 424.548 2.272 20 5 HEBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000768805883 1080783932 /nfs/dbraw/zinc/78/39/32/1080783932.db2.gz OQYMVPRPVRGPBZ-UHFFFAOYSA-N 1 0 424.548 2.143 20 5 HEBDRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768882780 1080831149 /nfs/dbraw/zinc/83/11/49/1080831149.db2.gz IXHXTRKVGBBMPO-UHFFFAOYSA-N 1 0 405.542 2.415 20 5 HEBDRO O=C(C[NH+]1CCCC1)N1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769316584 1081040422 /nfs/dbraw/zinc/04/04/22/1081040422.db2.gz ITTXLUOGMKWCCW-UHFFFAOYSA-N 1 0 411.300 2.097 20 5 HEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000787189189 1081055645 /nfs/dbraw/zinc/05/56/45/1081055645.db2.gz LZFZSZVEVPHOIS-HIFRSBDPSA-N 1 0 402.373 2.276 20 5 HEBDRO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000769632297 1081149595 /nfs/dbraw/zinc/14/95/95/1081149595.db2.gz SEBKGCOBLABLHM-UCMJJCQDSA-N 1 0 409.487 2.062 20 5 HEBDRO CCOC(=O)c1ccnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1[N+](=O)[O-] ZINC001164736896 720591187 /nfs/dbraw/zinc/59/11/87/720591187.db2.gz VKCHJDWFPOPFPI-UHFFFAOYSA-N 1 0 414.466 2.022 20 5 HEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738529 720687903 /nfs/dbraw/zinc/68/79/03/720687903.db2.gz KJSFIVZQHZIYOX-GHMZBOCLSA-N 1 0 411.249 2.429 20 5 HEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(F)c1 ZINC001164745587 720822701 /nfs/dbraw/zinc/82/27/01/720822701.db2.gz WYSSSJWZRCWCCZ-QILLFSRXSA-N 1 0 401.446 2.100 20 5 HEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)CC[C@H]2C1 ZINC001164865057 720873222 /nfs/dbraw/zinc/87/32/22/720873222.db2.gz YCWVMJIXUDPLIM-FXAWDEMLSA-N 1 0 413.478 2.225 20 5 HEBDRO COC(=O)c1cnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC001164859773 720947255 /nfs/dbraw/zinc/94/72/55/720947255.db2.gz NMCNMRQGBHZXNM-ZDUSSCGKSA-N 1 0 402.455 2.394 20 5 HEBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164867643 721079145 /nfs/dbraw/zinc/07/91/45/721079145.db2.gz YZSBUUJNQUSQRT-QZTJIDSGSA-N 1 0 406.446 2.413 20 5 HEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164888196 721417271 /nfs/dbraw/zinc/41/72/71/721417271.db2.gz NLWKFCRAHYASRQ-NQIIRXRSSA-N 1 0 403.527 2.372 20 5 HEBDRO Cc1c(C)c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164890907 721418153 /nfs/dbraw/zinc/41/81/53/721418153.db2.gz UIBZRWWTMSXGGI-GHTZIAJQSA-N 1 0 403.527 2.372 20 5 HEBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164906394 721533673 /nfs/dbraw/zinc/53/36/73/721533673.db2.gz KRXPSWSEXMSPIN-GOEBONIOSA-N 1 0 403.414 2.183 20 5 HEBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983422 722100685 /nfs/dbraw/zinc/10/06/85/722100685.db2.gz QAPUBGXYWPAGGK-GDBMZVCRSA-N 1 0 404.858 2.161 20 5 HEBDRO COc1cc(C)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164971421 722113020 /nfs/dbraw/zinc/11/30/20/722113020.db2.gz CKBFMQDRFQBUDM-MJGOQNOKSA-N 1 0 413.478 2.429 20 5 HEBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971941 722121354 /nfs/dbraw/zinc/12/13/54/722121354.db2.gz DXEZIAYTRIAZQW-RDJZCZTQSA-N 1 0 419.869 2.004 20 5 HEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000769692700 1078522392 /nfs/dbraw/zinc/52/23/92/1078522392.db2.gz SEATYKKLECTISH-KRWDZBQOSA-N 1 0 424.505 2.246 20 5 HEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000769883585 1078642256 /nfs/dbraw/zinc/64/22/56/1078642256.db2.gz WQFKPPLIWJULMB-QGZVFWFLSA-N 1 0 421.494 2.150 20 5 HEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CCC(OCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000745975141 1078715885 /nfs/dbraw/zinc/71/58/85/1078715885.db2.gz BJUNTBAOBPYQHX-UHFFFAOYSA-N 1 0 408.455 2.385 20 5 HEBDRO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]12 ZINC001169029724 1079102943 /nfs/dbraw/zinc/10/29/43/1079102943.db2.gz VPFIMBOGSZOVQP-AFYVEPGGSA-N 1 0 407.536 2.109 20 5 HEBDRO COc1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)cc(OC)c1OC ZINC001169043587 1079109737 /nfs/dbraw/zinc/10/97/37/1079109737.db2.gz HELFPVBUBJGPSF-UAGQMJEPSA-N 1 0 421.494 2.352 20 5 HEBDRO O=C(NCCc1cccs1)[C@H]1C[C@H]2OCC[C@H]2[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169021494 1079111652 /nfs/dbraw/zinc/11/16/52/1079111652.db2.gz OIBNFFXHHJUIOO-LMCLKVLCSA-N 1 0 407.536 2.332 20 5 HEBDRO Cc1nc(CN2C(=O)COC3(CC[NH+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)CC3)[C@H]2C)cs1 ZINC001169022726 1079111656 /nfs/dbraw/zinc/11/16/56/1079111656.db2.gz SGPMHVJDAAYGSH-UWWQBHOKSA-N 1 0 422.551 2.479 20 5 HEBDRO CN(C)C(=O)c1cc2c(nc1N(CC1CC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC[NH2+]CC2 ZINC001169024384 1079113024 /nfs/dbraw/zinc/11/30/24/1079113024.db2.gz GWQKXBVPDUTZGY-SJLPKXTDSA-N 1 0 415.538 2.133 20 5 HEBDRO COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@H]1C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169048718 1079115578 /nfs/dbraw/zinc/11/55/78/1079115578.db2.gz AWDHBWUHSRRASI-QOIOWGMHSA-N 1 0 411.499 2.306 20 5 HEBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2)c1 ZINC001169149877 1079166820 /nfs/dbraw/zinc/16/68/20/1079166820.db2.gz PCRDJVCSXUADIM-KRWDZBQOSA-N 1 0 406.446 2.488 20 5 HEBDRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000766845184 1079434361 /nfs/dbraw/zinc/43/43/61/1079434361.db2.gz DIUMBRRSPAPDPD-UHFFFAOYSA-N 1 0 406.302 2.320 20 5 HEBDRO Cc1cc(=O)c(C(=O)NC(C)(C)CCC[NH+](C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC001273359651 1075976877 /nfs/dbraw/zinc/97/68/77/1075976877.db2.gz LVJLSOWSFYOZHY-UHFFFAOYSA-N 1 0 401.467 2.299 20 5 HEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000741754655 1076620276 /nfs/dbraw/zinc/62/02/76/1076620276.db2.gz QLTSHFTYNMVZIR-UHFFFAOYSA-N 1 0 406.302 2.462 20 5 HEBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CC[C@H](C[NH+]3CCCCC3)C2)C1=O ZINC000742170977 1076762801 /nfs/dbraw/zinc/76/28/01/1076762801.db2.gz MGSLRFYTVQTHMR-IIBYNOLFSA-N 1 0 415.494 2.127 20 5 HEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000742275247 1076808257 /nfs/dbraw/zinc/80/82/57/1076808257.db2.gz LOXKQSVSDCATSV-SNVBAGLBSA-N 1 0 404.286 2.120 20 5 HEBDRO CS[C@@H]1CC[C@H](Nc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000742420355 1076836840 /nfs/dbraw/zinc/83/68/40/1076836840.db2.gz BISXTNOETLXPBT-QWHCGFSZSA-N 1 0 402.542 2.131 20 5 HEBDRO CSC(C)(C)CNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000743461317 1077055884 /nfs/dbraw/zinc/05/58/84/1077055884.db2.gz YETTUQSKRQKFJM-UHFFFAOYSA-N 1 0 404.558 2.378 20 5 HEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743594685 1077077787 /nfs/dbraw/zinc/07/77/87/1077077787.db2.gz VYPPTQWLTYGDLD-VQIMIIECSA-N 1 0 404.467 2.011 20 5 HEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000744399281 1077373407 /nfs/dbraw/zinc/37/34/07/1077373407.db2.gz IGJBPAHJLWHBIS-QFIPXVFZSA-N 1 0 412.490 2.458 20 5 HEBDRO O=C(CN1CC[NH+](C2CCCCC2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000767040115 1079626142 /nfs/dbraw/zinc/62/61/42/1079626142.db2.gz XPZVXWRTSKAGEI-UHFFFAOYSA-N 1 0 415.538 2.194 20 5 HEBDRO O=C(CN1CC[NH+](CCCCO)CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000746489322 1080085629 /nfs/dbraw/zinc/08/56/29/1080085629.db2.gz VJWFAABGTREZBD-UHFFFAOYSA-N 1 0 419.507 2.047 20 5 HEBDRO CCOc1cc(COC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)ccc1[N+](=O)[O-] ZINC000785645504 1080093758 /nfs/dbraw/zinc/09/37/58/1080093758.db2.gz RNPTYQNVYPPEMV-IRXDYDNUSA-N 1 0 419.478 2.370 20 5 HEBDRO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N)cc2)CC1 ZINC000786866192 1080860515 /nfs/dbraw/zinc/86/05/15/1080860515.db2.gz SULVPMMSDSWWIP-UHFFFAOYSA-N 1 0 411.462 2.169 20 5 HEBDRO CC[NH+](CC)CC(=O)N1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000769317715 1081040755 /nfs/dbraw/zinc/04/07/55/1081040755.db2.gz WJVXPGREIUHPMD-UHFFFAOYSA-N 1 0 413.316 2.343 20 5 HEBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc3cc([N+](=O)[O-])ccc3n1)CCC2 ZINC001164811448 720216750 /nfs/dbraw/zinc/21/67/50/720216750.db2.gz IAZWFDVQLXXBFR-UHFFFAOYSA-N 1 0 423.477 2.345 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001164829389 720349958 /nfs/dbraw/zinc/34/99/58/720349958.db2.gz RYNAMKCWDRVMDG-QZTJIDSGSA-N 1 0 424.505 2.450 20 5 HEBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164745831 720781368 /nfs/dbraw/zinc/78/13/68/720781368.db2.gz VZCSTHNCECDEHT-CVEARBPZSA-N 1 0 419.445 2.184 20 5 HEBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745465 720811056 /nfs/dbraw/zinc/81/10/56/720811056.db2.gz KLASPUIMARHDRG-SOUVJXGZSA-N 1 0 418.889 2.009 20 5 HEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@H]2C1 ZINC001164850952 720845801 /nfs/dbraw/zinc/84/58/01/720845801.db2.gz FVIGPFRGBIIBKX-SUMWQHHRSA-N 1 0 421.885 2.365 20 5 HEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164855529 720845866 /nfs/dbraw/zinc/84/58/66/720845866.db2.gz UJTSYYUROOXAKO-UGSOOPFHSA-N 1 0 421.885 2.365 20 5 HEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@H]2C1 ZINC001164850951 720845932 /nfs/dbraw/zinc/84/59/32/720845932.db2.gz FVIGPFRGBIIBKX-GUYCJALGSA-N 1 0 421.885 2.365 20 5 HEBDRO COc1cc2ncnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164767233 721138814 /nfs/dbraw/zinc/13/88/14/721138814.db2.gz LYUWKNAHIBNLPB-HZPDHXFCSA-N 1 0 423.477 2.238 20 5 HEBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c21 ZINC001164873582 721177306 /nfs/dbraw/zinc/17/73/06/721177306.db2.gz IRZTWLSRZHRXMW-IRXDYDNUSA-N 1 0 406.446 2.413 20 5 HEBDRO CN(C)/C=C/c1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164769488 721192909 /nfs/dbraw/zinc/19/29/09/721192909.db2.gz MNZVUAZLENQURM-DPCDFWGDSA-N 1 0 411.510 2.214 20 5 HEBDRO Cc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164893568 721382479 /nfs/dbraw/zinc/38/24/79/721382479.db2.gz VEVLZQFEIDCVHP-HNAYVOBHSA-N 1 0 424.933 2.112 20 5 HEBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(Cl)cc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164888874 721401923 /nfs/dbraw/zinc/40/19/23/721401923.db2.gz PACDRZVZQZUBIP-VQIMIIECSA-N 1 0 409.918 2.409 20 5 HEBDRO CN(C)/C=C/c1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)ncc1[N+](=O)[O-] ZINC001165009805 721744081 /nfs/dbraw/zinc/74/40/81/721744081.db2.gz JDIZNPZKHUEGHA-IZZDOVSWSA-N 1 0 416.526 2.045 20 5 HEBDRO CCOc1nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ccc1[N+](=O)[O-] ZINC001165001627 722255251 /nfs/dbraw/zinc/25/52/51/722255251.db2.gz DDUKSOXNGIODIF-UHFFFAOYSA-N 1 0 404.471 2.074 20 5 HEBDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001168995278 1079095782 /nfs/dbraw/zinc/09/57/82/1079095782.db2.gz WTHPBPMASNAGKC-UHFFFAOYSA-N 1 0 417.857 2.105 20 5 HEBDRO CC(C)(C)OC(=O)N1CCN(C(=O)C2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169011946 1079099025 /nfs/dbraw/zinc/09/90/25/1079099025.db2.gz NVKOBLPXJXFXDG-WMZOPIPTSA-N 1 0 424.542 2.223 20 5 HEBDRO Cc1cccc(CN2CCO[C@H]3C[N@@H+]([C@H]4CC[C@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)c1 ZINC001169027444 1079102333 /nfs/dbraw/zinc/10/23/33/1079102333.db2.gz PRVUUCNXVILYDF-BURNTYAHSA-N 1 0 401.507 2.490 20 5 HEBDRO O=C(C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)N1CCN(c2ccccc2)CC1 ZINC001169038300 1079106613 /nfs/dbraw/zinc/10/66/13/1079106613.db2.gz XXDNSPZRYWRSAV-WIYYLYMNSA-N 1 0 400.523 2.493 20 5 HEBDRO COC(=O)c1cc2c(nc1N1CCCC1)CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169019265 1079111127 /nfs/dbraw/zinc/11/11/27/1079111127.db2.gz HCFUUUVKUNSSBL-NVXWUHKLSA-N 1 0 402.495 2.314 20 5 HEBDRO CN1CC2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)COc2ccccc2S1(=O)=O ZINC001169022228 1079111630 /nfs/dbraw/zinc/11/16/30/1079111630.db2.gz QXVAVADNORWRMI-IRXDYDNUSA-N 1 0 423.535 2.227 20 5 HEBDRO O=C(Cc1ccccc1)N1CCOC2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169025419 1079113181 /nfs/dbraw/zinc/11/31/81/1079113181.db2.gz ITLWATVGHBYEFX-PMACEKPBSA-N 1 0 401.507 2.368 20 5 HEBDRO C[C@@H]1N(Cc2cccnc2)C(=O)COC12CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169026111 1079113624 /nfs/dbraw/zinc/11/36/24/1079113624.db2.gz KTGBCQHNLAPKBK-JENIJYKNSA-N 1 0 402.495 2.109 20 5 HEBDRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000766853343 1079440227 /nfs/dbraw/zinc/44/02/27/1079440227.db2.gz IZMQVJUBRAIEKP-UHFFFAOYSA-N 1 0 417.503 2.493 20 5 HEBDRO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC001169934295 1079480792 /nfs/dbraw/zinc/48/07/92/1079480792.db2.gz ZKKGNRBAOXYKBA-KXBFYZLASA-N 1 0 409.487 2.189 20 5 HEBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000737958275 1075947931 /nfs/dbraw/zinc/94/79/31/1075947931.db2.gz XAPFIWLPPYANAB-INIZCTEOSA-N 1 0 405.451 2.272 20 5 HEBDRO CC(C)[N@H+](C)CC1CCN(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000738091034 1075960076 /nfs/dbraw/zinc/96/00/76/1075960076.db2.gz SECDAQXLNCMYHD-NRFANRHFSA-N 1 0 417.510 2.372 20 5 HEBDRO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@](C)(O)C[NH+](C)C)cc1Br ZINC000751963963 1076490718 /nfs/dbraw/zinc/49/07/18/1076490718.db2.gz UMTQCIFWTCPAEA-OAHLLOKOSA-N 1 0 404.261 2.259 20 5 HEBDRO Cc1c(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000741943173 1076688680 /nfs/dbraw/zinc/68/86/80/1076688680.db2.gz NTZBEVYMINWITJ-UHFFFAOYSA-N 1 0 401.379 2.224 20 5 HEBDRO C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C[NH+]1CCCC1 ZINC000742279852 1076809493 /nfs/dbraw/zinc/80/94/93/1076809493.db2.gz YFMZNLMZTZTSRB-NSHDSACASA-N 1 0 406.302 2.368 20 5 HEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000742345942 1076831909 /nfs/dbraw/zinc/83/19/09/1076831909.db2.gz BQOVDGWURSNZIB-NSHDSACASA-N 1 0 406.302 2.320 20 5 HEBDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000742393062 1076833507 /nfs/dbraw/zinc/83/35/07/1076833507.db2.gz XYOKWUKRKZOIOS-UHFFFAOYSA-N 1 0 419.526 2.019 20 5 HEBDRO CS[C@H]1CC[C@@H](Nc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000742420353 1076836807 /nfs/dbraw/zinc/83/68/07/1076836807.db2.gz BISXTNOETLXPBT-OLZOCXBDSA-N 1 0 402.542 2.131 20 5 HEBDRO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000743843126 1077147111 /nfs/dbraw/zinc/14/71/11/1077147111.db2.gz QTLPBIPTHMRCQU-ROUUACIJSA-N 1 0 423.514 2.264 20 5 HEBDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cn1 ZINC000766956365 1079520897 /nfs/dbraw/zinc/52/08/97/1079520897.db2.gz IDGPQMLUIZEZBO-QAPCUYQASA-N 1 0 415.450 2.214 20 5 HEBDRO Cc1cc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc([N+](=O)[O-])c1F ZINC000771774505 1079526926 /nfs/dbraw/zinc/52/69/26/1079526926.db2.gz SNECPCOTKXYBJX-UHFFFAOYSA-N 1 0 415.487 2.308 20 5 HEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785870647 1080290133 /nfs/dbraw/zinc/29/01/33/1080290133.db2.gz UHAYTFSKNOPEHA-UHFFFAOYSA-N 1 0 418.410 2.374 20 5 HEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000786095660 1080390757 /nfs/dbraw/zinc/39/07/57/1080390757.db2.gz KVYVSSWEFHADOJ-UHFFFAOYSA-N 1 0 405.451 2.420 20 5 HEBDRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1)C(C)C ZINC000786830484 1080828287 /nfs/dbraw/zinc/82/82/87/1080828287.db2.gz DBRMCPNNSBNQIP-UHFFFAOYSA-N 1 0 419.526 2.264 20 5 HEBDRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164683285 719706940 /nfs/dbraw/zinc/70/69/40/719706940.db2.gz JJFYSEAIQLFSJS-UHFFFAOYSA-N 1 0 417.844 2.369 20 5 HEBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])CC2 ZINC001164684354 719710983 /nfs/dbraw/zinc/71/09/83/719710983.db2.gz PFVCSVLGCHMHFC-UHFFFAOYSA-N 1 0 418.885 2.372 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001164818885 720299520 /nfs/dbraw/zinc/29/95/20/720299520.db2.gz BISDQGTZBLWYIV-UXHICEINSA-N 1 0 424.505 2.450 20 5 HEBDRO COc1cc(C)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164823939 720314457 /nfs/dbraw/zinc/31/44/57/720314457.db2.gz QTSDMRFOEFTBPI-IAGOWNOFSA-N 1 0 417.510 2.218 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001164829747 720325526 /nfs/dbraw/zinc/32/55/26/720325526.db2.gz NFNKGNZHQLBTFR-IRXDYDNUSA-N 1 0 412.494 2.383 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001164829744 720325696 /nfs/dbraw/zinc/32/56/96/720325696.db2.gz NFNKGNZHQLBTFR-DLBZAZTESA-N 1 0 412.494 2.383 20 5 HEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164727313 720573016 /nfs/dbraw/zinc/57/30/16/720573016.db2.gz DKUZADKDMMTGFV-UHFFFAOYSA-N 1 0 414.466 2.022 20 5 HEBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740058 720661284 /nfs/dbraw/zinc/66/12/84/720661284.db2.gz PLFNSCWXJBVNDM-GHMZBOCLSA-N 1 0 411.249 2.429 20 5 HEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164855527 720845782 /nfs/dbraw/zinc/84/57/82/720845782.db2.gz UJTSYYUROOXAKO-FZKQIMNGSA-N 1 0 421.885 2.365 20 5 HEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164854178 720851999 /nfs/dbraw/zinc/85/19/99/720851999.db2.gz PUQJYJZGGRWEIM-DGCLKSJQSA-N 1 0 405.282 2.470 20 5 HEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)CC[C@@H]2C1 ZINC001164861696 720881547 /nfs/dbraw/zinc/88/15/47/720881547.db2.gz QASFFFHHKOCDCQ-OXQOHEQNSA-N 1 0 413.478 2.225 20 5 HEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)CC[C@@H]2C1 ZINC001164863020 720890701 /nfs/dbraw/zinc/89/07/01/720890701.db2.gz SJBJNVBFFSDPLF-CXAGYDPISA-N 1 0 421.885 2.365 20 5 HEBDRO CSc1nc(Cl)nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001164764798 721145990 /nfs/dbraw/zinc/14/59/90/721145990.db2.gz IAEYZBOGYCWDRS-OLZOCXBDSA-N 1 0 423.930 2.452 20 5 HEBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])cc4Cl)C3)O2)CC1 ZINC001164887346 721383461 /nfs/dbraw/zinc/38/34/61/721383461.db2.gz HRZSSYCXNIRVKL-VQIMIIECSA-N 1 0 409.918 2.409 20 5 HEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900316 721515298 /nfs/dbraw/zinc/51/52/98/721515298.db2.gz QBUZATZXJRHPRR-WBVHZDCISA-N 1 0 416.409 2.257 20 5 HEBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164900550 721523692 /nfs/dbraw/zinc/52/36/92/721523692.db2.gz SDZAIYDUYAOOAC-ZBFHGGJFSA-N 1 0 403.370 2.379 20 5 HEBDRO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000770223809 1078773218 /nfs/dbraw/zinc/77/32/18/1078773218.db2.gz RLURPCKGXBXZHH-LBPRGKRZSA-N 1 0 424.445 2.326 20 5 HEBDRO CCC[C@@H]1CN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC[N@@H+]1CCOC ZINC000766373027 1078938218 /nfs/dbraw/zinc/93/82/18/1078938218.db2.gz DUXSZNRHCYGBIO-QGZVFWFLSA-N 1 0 405.499 2.227 20 5 HEBDRO CCOC(=O)[C@H]1C[C@@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2N1C(=O)OC(C)(C)C ZINC001169010497 1079098496 /nfs/dbraw/zinc/09/84/96/1079098496.db2.gz CUIDPZFDNGZDMQ-NNXHMXCWSA-N 1 0 411.499 2.305 20 5 HEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1 ZINC001169032956 1079104318 /nfs/dbraw/zinc/10/43/18/1079104318.db2.gz AFOOGHNWDXKVNT-AEFFLSMTSA-N 1 0 418.519 2.377 20 5 HEBDRO COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169027148 1079102297 /nfs/dbraw/zinc/10/22/97/1079102297.db2.gz ZXXIEYDVCIUKKB-QYZOEREBSA-N 1 0 418.538 2.414 20 5 HEBDRO O=C(Nc1ccncc1)c1nc2c(s1)CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169021156 1079111620 /nfs/dbraw/zinc/11/16/20/1079111620.db2.gz JWIHKURQNABBQT-DZGCQCFKSA-N 1 0 401.492 2.058 20 5 HEBDRO Cc1nc(CN2CCN(C)C3(CC[NH+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)CC3)C2=O)cs1 ZINC001169021537 1079111632 /nfs/dbraw/zinc/11/16/32/1079111632.db2.gz LJVQVHYHUPDKLP-FUHWJXTLSA-N 1 0 421.567 2.006 20 5 HEBDRO O=C(Nc1ccncc1)c1nc2c(s1)CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169021159 1079111641 /nfs/dbraw/zinc/11/16/41/1079111641.db2.gz JWIHKURQNABBQT-HIFRSBDPSA-N 1 0 401.492 2.058 20 5 HEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)C1 ZINC001169022862 1079112125 /nfs/dbraw/zinc/11/21/25/1079112125.db2.gz NDAPDYKYJIEJMX-PNKHAZJDSA-N 1 0 417.539 2.149 20 5 HEBDRO COC(=O)COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC001169072893 1079124922 /nfs/dbraw/zinc/12/49/22/1079124922.db2.gz OVMKIQGGIZMYFC-CYBMUJFWSA-N 1 0 417.418 2.445 20 5 HEBDRO CC(C)[NH+]1CCC(N2CCN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)CC2)CC1 ZINC000771175877 1079209421 /nfs/dbraw/zinc/20/94/21/1079209421.db2.gz SLSCOBLHQNIFQH-UHFFFAOYSA-N 1 0 413.526 2.301 20 5 HEBDRO O=C(CN1CCC[N@@H+](C2CCCC2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000738334089 1075983493 /nfs/dbraw/zinc/98/34/93/1075983493.db2.gz CNXBIICDVLKZBA-UHFFFAOYSA-N 1 0 415.538 2.194 20 5 HEBDRO CN1CCC(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)([NH+]2CCCCC2)CC1 ZINC000742012490 1076707563 /nfs/dbraw/zinc/70/75/63/1076707563.db2.gz XSYQAJDIQUINCL-UHFFFAOYSA-N 1 0 405.455 2.183 20 5 HEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000742118105 1076748125 /nfs/dbraw/zinc/74/81/25/1076748125.db2.gz KBAWTUMMQWAAEL-KRWDZBQOSA-N 1 0 402.495 2.379 20 5 HEBDRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000742381387 1076833009 /nfs/dbraw/zinc/83/30/09/1076833009.db2.gz XKBHAEKPDACGDN-CQSZACIVSA-N 1 0 412.899 2.445 20 5 HEBDRO C[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3N3CCOC3=O)cn2)CC1 ZINC000742392362 1076833487 /nfs/dbraw/zinc/83/34/87/1076833487.db2.gz OOSZHFSIGIKYAE-UHFFFAOYSA-N 1 0 412.450 2.310 20 5 HEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000744410740 1077383594 /nfs/dbraw/zinc/38/35/94/1077383594.db2.gz BDVLUTCYAAKNRP-SFHVURJKSA-N 1 0 403.527 2.050 20 5 HEBDRO CS[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000767315364 1079815021 /nfs/dbraw/zinc/81/50/21/1079815021.db2.gz NRXIUZAJXDQFKF-RYUDHWBXSA-N 1 0 424.342 2.023 20 5 HEBDRO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000767442366 1079850362 /nfs/dbraw/zinc/85/03/62/1079850362.db2.gz RXDJNHJUCYANOK-UHFFFAOYSA-N 1 0 400.501 2.311 20 5 HEBDRO CCOc1cc(COC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)ccc1[N+](=O)[O-] ZINC000785645502 1080093952 /nfs/dbraw/zinc/09/39/52/1080093952.db2.gz RNPTYQNVYPPEMV-IAGOWNOFSA-N 1 0 419.478 2.370 20 5 HEBDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCc2cc(OC)c(F)cc2[N+](=O)[O-])CC1=O ZINC000785651947 1080106334 /nfs/dbraw/zinc/10/63/34/1080106334.db2.gz WKOQVQZCHADKQA-DZGCQCFKSA-N 1 0 423.441 2.119 20 5 HEBDRO CC[NH+](CC)CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000767869604 1080192400 /nfs/dbraw/zinc/19/24/00/1080192400.db2.gz YHCCFORAMUDDOY-CQSZACIVSA-N 1 0 417.915 2.219 20 5 HEBDRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000768711698 1080729015 /nfs/dbraw/zinc/72/90/15/1080729015.db2.gz CVGQLLMXJPXDAN-UHFFFAOYSA-N 1 0 404.854 2.470 20 5 HEBDRO O=C(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000786883429 1080885686 /nfs/dbraw/zinc/88/56/86/1080885686.db2.gz ZWJWSRHSTZEIJP-AWEZNQCLSA-N 1 0 405.407 2.212 20 5 HEBDRO [NH3+]CCN(c1ccc2c([N+](=O)[O-])c[nH]c2n1)S(=O)(=O)c1cccc2cnccc21 ZINC001170071034 1081076672 /nfs/dbraw/zinc/07/66/72/1081076672.db2.gz KSWZGULKSSOUQB-UHFFFAOYSA-N 1 0 412.431 2.173 20 5 HEBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCOCC23C[NH2+]C3)c(Cl)nn1 ZINC001164407083 718861200 /nfs/dbraw/zinc/86/12/00/718861200.db2.gz WNRURHNLDWMFTN-UHFFFAOYSA-N 1 0 411.796 2.429 20 5 HEBDRO O=C1NCCN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)C12C[NH2+]C2 ZINC001164413745 718879442 /nfs/dbraw/zinc/87/94/42/718879442.db2.gz MBIRJWIYDULJLV-UHFFFAOYSA-N 1 0 423.807 2.133 20 5 HEBDRO CCOC(=O)C1CC[NH+](C2CCN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])CC2)CC1 ZINC001164617032 719027177 /nfs/dbraw/zinc/02/71/77/719027177.db2.gz JGFCDLDFNXMITH-UHFFFAOYSA-N 1 0 412.874 2.126 20 5 HEBDRO CCOC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c1[N+](=O)[O-] ZINC001164820079 720191273 /nfs/dbraw/zinc/19/12/73/720191273.db2.gz ZJWOVKQTGQUWEK-KKSFZXQISA-N 1 0 418.494 2.351 20 5 HEBDRO COc1cc(C)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164823940 720314339 /nfs/dbraw/zinc/31/43/39/720314339.db2.gz QTSDMRFOEFTBPI-IRXDYDNUSA-N 1 0 417.510 2.218 20 5 HEBDRO COc1cc(C)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164823941 720314937 /nfs/dbraw/zinc/31/49/37/720314937.db2.gz QTSDMRFOEFTBPI-SJORKVTESA-N 1 0 417.510 2.218 20 5 HEBDRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@H]2C1 ZINC001164853361 720834753 /nfs/dbraw/zinc/83/47/53/720834753.db2.gz OJGNRXNKVFILHN-WFASDCNBSA-N 1 0 420.844 2.362 20 5 HEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164854269 720845067 /nfs/dbraw/zinc/84/50/67/720845067.db2.gz QQYDAMCFQIYUDR-SMDDNHRTSA-N 1 0 405.282 2.470 20 5 HEBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865760 721080341 /nfs/dbraw/zinc/08/03/41/721080341.db2.gz PHARZTXLMPHNGJ-ROUUACIJSA-N 1 0 406.446 2.413 20 5 HEBDRO CN(C)/C=C/c1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164769495 721193158 /nfs/dbraw/zinc/19/31/58/721193158.db2.gz MNZVUAZLENQURM-RMSIBTEPSA-N 1 0 411.510 2.214 20 5 HEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889827 721392865 /nfs/dbraw/zinc/39/28/65/721392865.db2.gz MNMVTBVZEWURNW-KXBFYZLASA-N 1 0 424.933 2.112 20 5 HEBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001164782828 721461800 /nfs/dbraw/zinc/46/18/00/721461800.db2.gz CSVJELONEDSVMX-KRWDZBQOSA-N 1 0 419.526 2.306 20 5 HEBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001164785683 721462071 /nfs/dbraw/zinc/46/20/71/721462071.db2.gz MPGBIQNJAPAKNT-KRWDZBQOSA-N 1 0 419.526 2.306 20 5 HEBDRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164896805 721524133 /nfs/dbraw/zinc/52/41/33/721524133.db2.gz BNIPHSZICCEMBD-NVXWUHKLSA-N 1 0 416.409 2.257 20 5 HEBDRO COCC[N@H+](C)CCCC1CCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000766375203 1078942675 /nfs/dbraw/zinc/94/26/75/1078942675.db2.gz SFJBCJMZBHBXAE-UHFFFAOYSA-N 1 0 418.494 2.219 20 5 HEBDRO CC(C)(C)OC(=O)N1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CCCCC2)C1 ZINC000746481997 1079039030 /nfs/dbraw/zinc/03/90/30/1079039030.db2.gz UHBZGVGFICIZOW-KRWDZBQOSA-N 1 0 423.514 2.408 20 5 HEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c2ncccc12 ZINC000766498964 1079041247 /nfs/dbraw/zinc/04/12/47/1079041247.db2.gz VRDIJSWICVIGQV-HNNXBMFYSA-N 1 0 420.491 2.065 20 5 HEBDRO CC(C)CN(c1nc2c(cc1C(=O)N(C)C)CC[NH2+]CC2)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011870 1079098940 /nfs/dbraw/zinc/09/89/40/1079098940.db2.gz NAISEILAZOERDW-WMZOPIPTSA-N 1 0 417.554 2.379 20 5 HEBDRO CC(C)(C)OC(=O)N1CCN(C(=O)C2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169011944 1079099032 /nfs/dbraw/zinc/09/90/32/1079099032.db2.gz NVKOBLPXJXFXDG-FUHWJXTLSA-N 1 0 424.542 2.223 20 5 HEBDRO C[C@@H]1N(Cc2cccnc2)C(=O)COC12CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169026318 1079113635 /nfs/dbraw/zinc/11/36/35/1079113635.db2.gz KTGBCQHNLAPKBK-YQVWRLOYSA-N 1 0 402.495 2.109 20 5 HEBDRO [NH3+][C@@H](CO)Cc1cncn1-c1nc2ccsc2c(Oc2cccc([N+](=O)[O-])c2)n1 ZINC001169071770 1079123794 /nfs/dbraw/zinc/12/37/94/1079123794.db2.gz KICMDOMYEKRWNW-LLVKDONJSA-N 1 0 412.431 2.440 20 5 HEBDRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)CC1 ZINC000771508437 1079365462 /nfs/dbraw/zinc/36/54/62/1079365462.db2.gz ADXNXFGXBRRFDG-UHFFFAOYSA-N 1 0 405.455 2.134 20 5 HEBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000771519824 1079369879 /nfs/dbraw/zinc/36/98/79/1079369879.db2.gz IPTCQGMPRRSDOU-CQSZACIVSA-N 1 0 405.480 2.317 20 5 HEBDRO CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC001169726192 1079379159 /nfs/dbraw/zinc/37/91/59/1079379159.db2.gz OBBCKVYINZRXJC-QGZVFWFLSA-N 1 0 422.551 2.389 20 5 HEBDRO CC(C)[N@H+](C)CC1CCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000738089414 1075959947 /nfs/dbraw/zinc/95/99/47/1075959947.db2.gz IUMFRBXUUCLMJS-UHFFFAOYSA-N 1 0 403.483 2.373 20 5 HEBDRO CC[NH+]1CCN(c2ccc(C(=O)OCc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)CC1 ZINC000741343896 1076487405 /nfs/dbraw/zinc/48/74/05/1076487405.db2.gz YNRYQBSDMVVPFS-UHFFFAOYSA-N 1 0 412.446 2.193 20 5 HEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000742345940 1076831877 /nfs/dbraw/zinc/83/18/77/1076831877.db2.gz BQOVDGWURSNZIB-LLVKDONJSA-N 1 0 406.302 2.320 20 5 HEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCN3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000743846046 1077149362 /nfs/dbraw/zinc/14/93/62/1077149362.db2.gz ZJZKUFHYGHVLGO-UHFFFAOYSA-N 1 0 402.417 2.458 20 5 HEBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000743924496 1077248918 /nfs/dbraw/zinc/24/89/18/1077248918.db2.gz OXBYKBZTZHFIFW-UHFFFAOYSA-N 1 0 416.865 2.402 20 5 HEBDRO O=[N+]([O-])c1ccc(-c2ncn(CN3CCC(OCC[NH+]4CCCC4)CC3)n2)cc1 ZINC000744442372 1077396946 /nfs/dbraw/zinc/39/69/46/1077396946.db2.gz YQINKKUIJKZKPQ-UHFFFAOYSA-N 1 0 400.483 2.388 20 5 HEBDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cn1 ZINC000766956353 1079520793 /nfs/dbraw/zinc/52/07/93/1079520793.db2.gz IDGPQMLUIZEZBO-CRAIPNDOSA-N 1 0 415.450 2.214 20 5 HEBDRO C[N@@H+]1C[C@@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156590612 1080259110 /nfs/dbraw/zinc/25/91/10/1080259110.db2.gz NEXNJDARSOMSGU-GFCCVEGCSA-N 1 0 403.220 2.269 20 5 HEBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000786097594 1080392779 /nfs/dbraw/zinc/39/27/79/1080392779.db2.gz LHOABNDESVTOSL-SFHVURJKSA-N 1 0 417.462 2.278 20 5 HEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000786097595 1080392877 /nfs/dbraw/zinc/39/28/77/1080392877.db2.gz LHVBBUJKYZFYRY-UHFFFAOYSA-N 1 0 405.451 2.420 20 5 HEBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000786099365 1080394475 /nfs/dbraw/zinc/39/44/75/1080394475.db2.gz VNWPSHJWDHMGHU-UHFFFAOYSA-N 1 0 417.462 2.062 20 5 HEBDRO O=C(COC(=O)CC1([NH+]2CCOCC2)CCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000786098961 1080394590 /nfs/dbraw/zinc/39/45/90/1080394590.db2.gz FXGVDTYLXBWIIR-UHFFFAOYSA-N 1 0 409.414 2.251 20 5 HEBDRO CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768538677 1080617667 /nfs/dbraw/zinc/61/76/67/1080617667.db2.gz CPIXOAJBTGIOCP-QGZVFWFLSA-N 1 0 411.503 2.264 20 5 HEBDRO CC[NH+]1CCN(Cc2ccc(CNS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000768805652 1080783969 /nfs/dbraw/zinc/78/39/69/1080783969.db2.gz PWWISIGJHPINOS-UHFFFAOYSA-N 1 0 424.548 2.272 20 5 HEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000769451068 1081083678 /nfs/dbraw/zinc/08/36/78/1081083678.db2.gz JDWWGULEHZUVMX-FZMZJTMJSA-N 1 0 418.313 2.462 20 5 HEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000769451076 1081083688 /nfs/dbraw/zinc/08/36/88/1081083688.db2.gz JFPCAQYWIYFGID-WCQYABFASA-N 1 0 418.313 2.462 20 5 HEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000769451597 1081084530 /nfs/dbraw/zinc/08/45/30/1081084530.db2.gz KKEIVDCCAFPVOJ-RISCZKNCSA-N 1 0 418.313 2.462 20 5 HEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000769451620 1081084696 /nfs/dbraw/zinc/08/46/96/1081084696.db2.gz LXHLGRCTDSBFBW-FZMZJTMJSA-N 1 0 418.313 2.462 20 5 HEBDRO CC1(C)OCc2cc(C[NH2+]CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000769493039 1081095087 /nfs/dbraw/zinc/09/50/87/1081095087.db2.gz RJJDONARWYPLHO-UHFFFAOYSA-N 1 0 421.475 2.308 20 5 HEBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001164718025 720124958 /nfs/dbraw/zinc/12/49/58/720124958.db2.gz QMCRYKYNFJAJCT-QGZVFWFLSA-N 1 0 412.494 2.475 20 5 HEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867757 721060945 /nfs/dbraw/zinc/06/09/45/721060945.db2.gz KCXFMFASWXKDEN-LSDHHAIUSA-N 1 0 404.858 2.221 20 5 HEBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865758 721080425 /nfs/dbraw/zinc/08/04/25/721080425.db2.gz PHARZTXLMPHNGJ-MSOLQXFVSA-N 1 0 406.446 2.413 20 5 HEBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)cc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164888871 721402424 /nfs/dbraw/zinc/40/24/24/721402424.db2.gz PACDRZVZQZUBIP-QFBILLFUSA-N 1 0 409.918 2.409 20 5 HEBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C3)O2)CC1 ZINC001164883647 721420345 /nfs/dbraw/zinc/42/03/45/721420345.db2.gz BPTJPHFHKHFNSI-IIBYNOLFSA-N 1 0 414.510 2.237 20 5 HEBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000746014435 1078733898 /nfs/dbraw/zinc/73/38/98/1078733898.db2.gz FKBJHPTUWHWHAZ-QGZVFWFLSA-N 1 0 415.498 2.218 20 5 HEBDRO CC(C)(C)OC(=O)N1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CCCCC2)C1 ZINC000746482001 1079038987 /nfs/dbraw/zinc/03/89/87/1079038987.db2.gz UHBZGVGFICIZOW-QGZVFWFLSA-N 1 0 423.514 2.408 20 5 HEBDRO CCOc1cc([C@H](CS(C)(=O)=O)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1OC ZINC001168971368 1079094122 /nfs/dbraw/zinc/09/41/22/1079094122.db2.gz JSMGHSONKCDEJE-KBMXLJTQSA-N 1 0 400.497 2.215 20 5 HEBDRO Cc1cccc(CN2C(=O)COC3(CC[NH+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)CC3)[C@H]2C)n1 ZINC001169010667 1079098460 /nfs/dbraw/zinc/09/84/60/1079098460.db2.gz FHRNGXVDIFHXAQ-WSTZPKSXSA-N 1 0 416.522 2.417 20 5 HEBDRO CC(C)(C)OC(=O)N1CCN(C(=O)C2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169011943 1079099082 /nfs/dbraw/zinc/09/90/82/1079099082.db2.gz NVKOBLPXJXFXDG-AEFFLSMTSA-N 1 0 424.542 2.223 20 5 HEBDRO CC(C)(C)OC(=O)N1CCOC[C@]2(C1)C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CCCO2 ZINC001169014400 1079099777 /nfs/dbraw/zinc/09/97/77/1079099777.db2.gz ZDKBRYLISBNFJL-MBOZVWFJSA-N 1 0 413.515 2.160 20 5 HEBDRO Cc1cccc(CN2CC3(CC[NH+]([C@H]4CC[C@H](C[N+](=O)[O-])C4)CC3)OCC2=O)n1 ZINC001169028960 1079102253 /nfs/dbraw/zinc/10/22/53/1079102253.db2.gz TTWUKFANPDFRFC-HKUYNNGSSA-N 1 0 402.495 2.029 20 5 HEBDRO Cc1cccc(CN2CC3(CC[NH+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)CC3)OCC2=O)n1 ZINC001169028991 1079102914 /nfs/dbraw/zinc/10/29/14/1079102914.db2.gz TTWUKFANPDFRFC-IEBWSBKVSA-N 1 0 402.495 2.029 20 5 HEBDRO COC(=O)c1cc2c(nc1N(CC1CC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC[NH2+]CC2 ZINC001169020158 1079111031 /nfs/dbraw/zinc/11/10/31/1079111031.db2.gz JZHHAMUQQHZIOI-NVXWUHKLSA-N 1 0 402.495 2.218 20 5 HEBDRO COC(=O)c1cc2c(nc1N(C)C1CC1)CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169024135 1079112549 /nfs/dbraw/zinc/11/25/49/1079112549.db2.gz QDHCBNHVDDMJRX-RHSMWYFYSA-N 1 0 402.495 2.313 20 5 HEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)C1 ZINC001169025286 1079113185 /nfs/dbraw/zinc/11/31/85/1079113185.db2.gz YKQIXNYDNGSVQA-MXEMCNAFSA-N 1 0 421.563 2.401 20 5 HEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)CCNC(=O)OC(C)(C)C ZINC001169080574 1079133200 /nfs/dbraw/zinc/13/32/00/1079133200.db2.gz VLTNRUBLDQPMGS-UHFFFAOYSA-N 1 0 410.471 2.051 20 5 HEBDRO CC1(C)C[C@@H](Nc2nc(S(C)(=O)=O)nc(Cl)c2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169139058 1079156244 /nfs/dbraw/zinc/15/62/44/1079156244.db2.gz XUTNDGGWHKZNRO-PSLIRLAXSA-N 1 0 405.908 2.397 20 5 HEBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001169537844 1079325411 /nfs/dbraw/zinc/32/54/11/1079325411.db2.gz BROMWJBXIYUKLZ-BEFAXECRSA-N 1 0 421.461 2.211 20 5 HEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1-n1cc(CC[NH3+])c2ccc(OC(F)(F)F)cc21 ZINC001169607007 1079343691 /nfs/dbraw/zinc/34/36/91/1079343691.db2.gz MBKLKHAMAXPFLY-UHFFFAOYSA-N 1 0 409.324 2.432 20 5 HEBDRO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC001169934289 1079481207 /nfs/dbraw/zinc/48/12/07/1079481207.db2.gz ZKKGNRBAOXYKBA-DNVCBOLYSA-N 1 0 409.487 2.189 20 5 HEBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000742272883 1076807488 /nfs/dbraw/zinc/80/74/88/1076807488.db2.gz PRISFMSDONVGTD-UHFFFAOYSA-N 1 0 404.286 2.262 20 5 HEBDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@@H+]1C ZINC000742304110 1076812560 /nfs/dbraw/zinc/81/25/60/1076812560.db2.gz PCRHQTJEMYNVGR-GHMZBOCLSA-N 1 0 406.302 2.461 20 5 HEBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000742289720 1076818019 /nfs/dbraw/zinc/81/80/19/1076818019.db2.gz LJMLXVXOBDABRE-GFCCVEGCSA-N 1 0 404.286 2.216 20 5 HEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000742345301 1076831858 /nfs/dbraw/zinc/83/18/58/1076831858.db2.gz OLOJCUNPTHZROC-NSHDSACASA-N 1 0 406.302 2.462 20 5 HEBDRO Cc1cccc(F)c1CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000742422249 1076836788 /nfs/dbraw/zinc/83/67/88/1076836788.db2.gz SMSMLCULEQANDC-UHFFFAOYSA-N 1 0 410.471 2.494 20 5 HEBDRO C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000745334878 1077805253 /nfs/dbraw/zinc/80/52/53/1077805253.db2.gz YMOJMSXQWPYEGH-APWZRJJASA-N 1 0 411.458 2.460 20 5 HEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766956723 1079520059 /nfs/dbraw/zinc/52/00/59/1079520059.db2.gz VZNITNRZDNLSDB-HNAYVOBHSA-N 1 0 417.466 2.254 20 5 HEBDRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000771774246 1079527515 /nfs/dbraw/zinc/52/75/15/1079527515.db2.gz QPAPCTQJPBJGNH-CQSZACIVSA-N 1 0 403.476 2.164 20 5 HEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766949275 1079541814 /nfs/dbraw/zinc/54/18/14/1079541814.db2.gz HKAGOUPZRQQFAX-MAUKXSAKSA-N 1 0 417.466 2.254 20 5 HEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000786097965 1080394023 /nfs/dbraw/zinc/39/40/23/1080394023.db2.gz WOQMXUHBOFYCFN-UHFFFAOYSA-N 1 0 421.450 2.120 20 5 HEBDRO CC1(C)OCc2cc(C[NH2+]CCNS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2O1 ZINC000768688254 1080747661 /nfs/dbraw/zinc/74/76/61/1080747661.db2.gz GJKNQLVOGFJPMT-UHFFFAOYSA-N 1 0 421.475 2.308 20 5 HEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000786975698 1080897058 /nfs/dbraw/zinc/89/70/58/1080897058.db2.gz WECFYSNAWLSNHG-UHFFFAOYSA-N 1 0 417.510 2.021 20 5 HEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000769451596 1081085095 /nfs/dbraw/zinc/08/50/95/1081085095.db2.gz KKEIVDCCAFPVOJ-FZMZJTMJSA-N 1 0 418.313 2.462 20 5 HEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738534 720688490 /nfs/dbraw/zinc/68/84/90/720688490.db2.gz KJSFIVZQHZIYOX-WDEREUQCSA-N 1 0 411.249 2.429 20 5 HEBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164745832 720782032 /nfs/dbraw/zinc/78/20/32/720782032.db2.gz VZCSTHNCECDEHT-HOTGVXAUSA-N 1 0 419.445 2.184 20 5 HEBDRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@H]2C1 ZINC001164853359 720834735 /nfs/dbraw/zinc/83/47/35/720834735.db2.gz OJGNRXNKVFILHN-SWLSCSKDSA-N 1 0 420.844 2.362 20 5 HEBDRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@H]2C1 ZINC001164852550 720843814 /nfs/dbraw/zinc/84/38/14/720843814.db2.gz KUDUTIXRUFQTGK-GXTWGEPZSA-N 1 0 420.844 2.362 20 5 HEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164854266 720844888 /nfs/dbraw/zinc/84/48/88/720844888.db2.gz QQYDAMCFQIYUDR-BXUZGUMPSA-N 1 0 405.282 2.470 20 5 HEBDRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@@H]2C1 ZINC001164851494 720847516 /nfs/dbraw/zinc/84/75/16/720847516.db2.gz HUVOZFUJKDATCC-IUODEOHRSA-N 1 0 420.844 2.362 20 5 HEBDRO COc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc(OC)c1[N+](=O)[O-] ZINC001164859313 720960160 /nfs/dbraw/zinc/96/01/60/720960160.db2.gz MQIILEABHSQQEX-GFCCVEGCSA-N 1 0 405.459 2.020 20 5 HEBDRO COc1cc2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164767235 721138041 /nfs/dbraw/zinc/13/80/41/721138041.db2.gz LYUWKNAHIBNLPB-JKSUJKDBSA-N 1 0 423.477 2.238 20 5 HEBDRO COc1cc2ncnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164767229 721138638 /nfs/dbraw/zinc/13/86/38/721138638.db2.gz LYUWKNAHIBNLPB-CVEARBPZSA-N 1 0 423.477 2.238 20 5 HEBDRO CSc1nc(Cl)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164764801 721146858 /nfs/dbraw/zinc/14/68/58/721146858.db2.gz IAEYZBOGYCWDRS-QWHCGFSZSA-N 1 0 423.930 2.452 20 5 HEBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164886233 721383341 /nfs/dbraw/zinc/38/33/41/721383341.db2.gz DRBMNRUWIQHAID-DNVCBOLYSA-N 1 0 409.918 2.409 20 5 HEBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(Cl)ncc4[N+](=O)[O-])C3)O2)CC1 ZINC001164888501 721391241 /nfs/dbraw/zinc/39/12/41/721391241.db2.gz JOJBNFHFHKBQFS-DNVCBOLYSA-N 1 0 409.918 2.409 20 5 HEBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc4ccc([N+](=O)[O-])cc4n2)CC3)CC1 ZINC001164794627 721511713 /nfs/dbraw/zinc/51/17/13/721511713.db2.gz UFDCCCPSLMCLMW-UHFFFAOYSA-N 1 0 407.478 2.107 20 5 HEBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc4cccc([N+](=O)[O-])c4n2)CC3)CC1 ZINC001164794867 721512776 /nfs/dbraw/zinc/51/27/76/721512776.db2.gz XOOVUGQIFVFHMR-UHFFFAOYSA-N 1 0 407.478 2.107 20 5 HEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979185 722128741 /nfs/dbraw/zinc/12/87/41/722128741.db2.gz PMKVSZGOMQOWRM-RDJZCZTQSA-N 1 0 419.869 2.004 20 5 HEBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000766339182 1078852074 /nfs/dbraw/zinc/85/20/74/1078852074.db2.gz MOBWJMMVUDVFQI-XMSQKQJNSA-N 1 0 423.473 2.312 20 5 HEBDRO CCC[C@H]1CN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC[N@@H+]1CCOC ZINC000766373021 1078938812 /nfs/dbraw/zinc/93/88/12/1078938812.db2.gz DUXSZNRHCYGBIO-KRWDZBQOSA-N 1 0 405.499 2.227 20 5 HEBDRO CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169018056 1079110789 /nfs/dbraw/zinc/11/07/89/1079110789.db2.gz BIXJYPKVNBEPLK-HGHGUNKESA-N 1 0 415.494 2.096 20 5 HEBDRO CNC(=O)c1cc2c(nc1N(CC(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC[NH2+]CC2 ZINC001169023926 1079112518 /nfs/dbraw/zinc/11/25/18/1079112518.db2.gz VNARXSGUQOCYOM-WBVHZDCISA-N 1 0 403.527 2.037 20 5 HEBDRO O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169023957 1079112606 /nfs/dbraw/zinc/11/26/06/1079112606.db2.gz WDBXPAOGLKYARM-WRWLIDTKSA-N 1 0 404.442 2.108 20 5 HEBDRO COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H]1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169048717 1079115476 /nfs/dbraw/zinc/11/54/76/1079115476.db2.gz AWDHBWUHSRRASI-NLDJYOPPSA-N 1 0 411.499 2.306 20 5 HEBDRO CC1(C)C[C@@H](Nc2nc(S(C)(=O)=O)nc(Cl)c2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169139060 1079156225 /nfs/dbraw/zinc/15/62/25/1079156225.db2.gz XUTNDGGWHKZNRO-RFAUZJTJSA-N 1 0 405.908 2.397 20 5 HEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000738513369 1075999017 /nfs/dbraw/zinc/99/90/17/1075999017.db2.gz KJQUEVAAIMHVFW-HUUCEWRRSA-N 1 0 419.482 2.442 20 5 HEBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[N@@H+]1C ZINC000742303635 1076812613 /nfs/dbraw/zinc/81/26/13/1076812613.db2.gz LEKSFRBAJGMNES-MNOVXSKESA-N 1 0 406.302 2.461 20 5 HEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742303890 1076812952 /nfs/dbraw/zinc/81/29/52/1076812952.db2.gz BTZOHHDQPAEQBD-MFKMUULPSA-N 1 0 406.302 2.318 20 5 HEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743594683 1077077889 /nfs/dbraw/zinc/07/78/89/1077077889.db2.gz VYPPTQWLTYGDLD-QFBILLFUSA-N 1 0 404.467 2.011 20 5 HEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000744410739 1077383540 /nfs/dbraw/zinc/38/35/40/1077383540.db2.gz BDVLUTCYAAKNRP-GOSISDBHSA-N 1 0 403.527 2.050 20 5 HEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000744722376 1077555551 /nfs/dbraw/zinc/55/55/51/1077555551.db2.gz KKPUWNHAIHPMOA-UHFFFAOYSA-N 1 0 407.467 2.204 20 5 HEBDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cn1 ZINC000766956359 1079520806 /nfs/dbraw/zinc/52/08/06/1079520806.db2.gz IDGPQMLUIZEZBO-MAUKXSAKSA-N 1 0 415.450 2.214 20 5 HEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785863453 1080287026 /nfs/dbraw/zinc/28/70/26/1080287026.db2.gz XVHOQNCHIJKIKV-UHFFFAOYSA-N 1 0 418.410 2.374 20 5 HEBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768538675 1080617776 /nfs/dbraw/zinc/61/77/76/1080617776.db2.gz CPIXOAJBTGIOCP-KRWDZBQOSA-N 1 0 411.503 2.264 20 5 HEBDRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768808575 1080785202 /nfs/dbraw/zinc/78/52/02/1080785202.db2.gz CIHGJNVBHGKQOU-CYBMUJFWSA-N 1 0 419.525 2.085 20 5 HEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000786813137 1080840076 /nfs/dbraw/zinc/84/00/76/1080840076.db2.gz KQYJFDKTUBCUIM-KAMYIIQDSA-N 1 0 420.447 2.474 20 5 HEBDRO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000786817570 1080841527 /nfs/dbraw/zinc/84/15/27/1080841527.db2.gz ZPUJMAYGEDNSDZ-ZROIWOOFSA-N 1 0 418.475 2.135 20 5 HEBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000786821443 1080844390 /nfs/dbraw/zinc/84/43/90/1080844390.db2.gz MMRSTUZFFYSAHL-UHFFFAOYSA-N 1 0 409.442 2.476 20 5 HEBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786911766 1080881131 /nfs/dbraw/zinc/88/11/31/1080881131.db2.gz ODAHPCWVOSWJEY-CQSZACIVSA-N 1 0 418.475 2.249 20 5 HEBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc([N+](=O)[O-])cc3C(=O)OC)CC2)CC1 ZINC001164614512 719022247 /nfs/dbraw/zinc/02/22/47/719022247.db2.gz UCBPOHXKXZHAET-UHFFFAOYSA-N 1 0 420.466 2.020 20 5 HEBDRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164685322 719709404 /nfs/dbraw/zinc/70/94/04/719709404.db2.gz VDDWIFQRHRXNFD-UHFFFAOYSA-N 1 0 417.844 2.369 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001164818886 720299699 /nfs/dbraw/zinc/29/96/99/720299699.db2.gz BISDQGTZBLWYIV-VQTJNVASSA-N 1 0 424.505 2.450 20 5 HEBDRO CCOc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001164833860 720330335 /nfs/dbraw/zinc/33/03/35/720330335.db2.gz XTJLQFMYKNNSKV-IAGOWNOFSA-N 1 0 417.510 2.300 20 5 HEBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164833722 720544771 /nfs/dbraw/zinc/54/47/71/720544771.db2.gz BGJLHNMDDPCNCJ-IXDOHACOSA-N 1 0 415.498 2.276 20 5 HEBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])CC[C@@H]21 ZINC001164840220 720550666 /nfs/dbraw/zinc/55/06/66/720550666.db2.gz SGIKNCXKGJTVTQ-JYJNAYRXSA-N 1 0 420.901 2.456 20 5 HEBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])CC[C@@H]21 ZINC001164835427 720566709 /nfs/dbraw/zinc/56/67/09/720566709.db2.gz HIIURPLXLTUBGF-XIRDDKMYSA-N 1 0 420.901 2.456 20 5 HEBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164864640 721020373 /nfs/dbraw/zinc/02/03/73/721020373.db2.gz YSCWZGWNCBPSJR-ZDUSSCGKSA-N 1 0 416.486 2.270 20 5 HEBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])cc4Cl)C3)O2)CC1 ZINC001164887340 721383169 /nfs/dbraw/zinc/38/31/69/721383169.db2.gz HRZSSYCXNIRVKL-LPHOPBHVSA-N 1 0 409.918 2.409 20 5 HEBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001164791294 721465278 /nfs/dbraw/zinc/46/52/78/721465278.db2.gz WPMMGMGSZDHDAU-GOSISDBHSA-N 1 0 419.526 2.306 20 5 HEBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164932297 721885632 /nfs/dbraw/zinc/88/56/32/721885632.db2.gz IHHHXSVUVHDNCT-ZWKOTPCHSA-N 1 0 400.458 2.406 20 5 HEBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971939 722121543 /nfs/dbraw/zinc/12/15/43/722121543.db2.gz DXEZIAYTRIAZQW-NVXWUHKLSA-N 1 0 419.869 2.004 20 5 HEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000769899724 1078622277 /nfs/dbraw/zinc/62/22/77/1078622277.db2.gz KFAQESYVXLUCNH-CQSZACIVSA-N 1 0 417.915 2.478 20 5 HEBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000746296046 1078844910 /nfs/dbraw/zinc/84/49/10/1078844910.db2.gz IVKAPIREEWFBTP-RHSMWYFYSA-N 1 0 417.462 2.270 20 5 HEBDRO CCC[C@H]1CN(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CC[N@@H+]1CCOC ZINC000766375875 1078943309 /nfs/dbraw/zinc/94/33/09/1078943309.db2.gz MBPBCTZPSUBWLF-IBGZPJMESA-N 1 0 415.494 2.209 20 5 HEBDRO COc1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)cc(OC)c1OC ZINC001169043580 1079109731 /nfs/dbraw/zinc/10/97/31/1079109731.db2.gz HELFPVBUBJGPSF-OIISXLGYSA-N 1 0 421.494 2.352 20 5 HEBDRO CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169018053 1079110747 /nfs/dbraw/zinc/11/07/47/1079110747.db2.gz BIXJYPKVNBEPLK-DJPFJPOOSA-N 1 0 415.494 2.096 20 5 HEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)C1 ZINC001169022861 1079112105 /nfs/dbraw/zinc/11/21/05/1079112105.db2.gz NDAPDYKYJIEJMX-DZVNLGKHSA-N 1 0 417.539 2.149 20 5 HEBDRO O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169023955 1079112502 /nfs/dbraw/zinc/11/25/02/1079112502.db2.gz WDBXPAOGLKYARM-OXFYSEKESA-N 1 0 404.442 2.108 20 5 HEBDRO COC(=O)c1cc2c(nc1N(C)C1CC1)CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169024137 1079112557 /nfs/dbraw/zinc/11/25/57/1079112557.db2.gz QDHCBNHVDDMJRX-WMLDXEAASA-N 1 0 402.495 2.313 20 5 HEBDRO CC(C)N(c1nc2c(cc1C(=O)N(C)C)CC[NH2+]CC2)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026395 1079113628 /nfs/dbraw/zinc/11/36/28/1079113628.db2.gz LQTHRJXMQIHILT-DOTOQJQBSA-N 1 0 403.527 2.132 20 5 HEBDRO O=C(C[NH+]1CCCC1)N1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000738161300 1075970723 /nfs/dbraw/zinc/97/07/23/1075970723.db2.gz PXGKHEVQPVRISR-UHFFFAOYSA-N 1 0 405.480 2.069 20 5 HEBDRO CC[C@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[NH+](CC)CC ZINC000741032650 1076331269 /nfs/dbraw/zinc/33/12/69/1076331269.db2.gz LWGAYAMVKIASDH-CQSZACIVSA-N 1 0 409.439 2.358 20 5 HEBDRO CN1CCC(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)([NH+]2CCCCC2)CC1 ZINC000742011875 1076707077 /nfs/dbraw/zinc/70/70/77/1076707077.db2.gz SJZDQSFRJLCYSF-UHFFFAOYSA-N 1 0 408.474 2.179 20 5 HEBDRO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CC[C@H](C[NH+]3CCCCC3)C2)C1=O ZINC000742170974 1076762856 /nfs/dbraw/zinc/76/28/56/1076762856.db2.gz MGSLRFYTVQTHMR-IERDGZPVSA-N 1 0 415.494 2.127 20 5 HEBDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000744394326 1077374042 /nfs/dbraw/zinc/37/40/42/1077374042.db2.gz HRMWLIYYLBPIPZ-RCCFBDPRSA-N 1 0 423.514 2.406 20 5 HEBDRO C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000744402679 1077380902 /nfs/dbraw/zinc/38/09/02/1077380902.db2.gz PNYBJBOPFRVROR-IDHHARJASA-N 1 0 411.503 2.215 20 5 HEBDRO C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000745334881 1077805214 /nfs/dbraw/zinc/80/52/14/1077805214.db2.gz YMOJMSXQWPYEGH-VQIMIIECSA-N 1 0 411.458 2.460 20 5 HEBDRO C[N@H+](CCOC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Cc1ccc(F)cc1 ZINC000769064971 1080921484 /nfs/dbraw/zinc/92/14/84/1080921484.db2.gz NZNVKWXTBHDQCI-UHFFFAOYSA-N 1 0 415.377 2.005 20 5 HEBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)ncc1[N+](=O)[O-])CCC2 ZINC001164811506 720214267 /nfs/dbraw/zinc/21/42/67/720214267.db2.gz IXZNIEHZZAFBRZ-UHFFFAOYSA-N 1 0 406.874 2.450 20 5 HEBDRO CCOc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001164833862 720330271 /nfs/dbraw/zinc/33/02/71/720330271.db2.gz XTJLQFMYKNNSKV-IRXDYDNUSA-N 1 0 417.510 2.300 20 5 HEBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841102 720524361 /nfs/dbraw/zinc/52/43/61/720524361.db2.gz XNMKKEGLVWAFOG-BHYGNILZSA-N 1 0 415.454 2.472 20 5 HEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164841423 720568931 /nfs/dbraw/zinc/56/89/31/720568931.db2.gz VLHGHGXYIMCFIX-YQVWRLOYSA-N 1 0 400.483 2.111 20 5 HEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164855526 720845487 /nfs/dbraw/zinc/84/54/87/720845487.db2.gz UJTSYYUROOXAKO-ACJLOTCBSA-N 1 0 421.885 2.365 20 5 HEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164765079 721085092 /nfs/dbraw/zinc/08/50/92/721085092.db2.gz IJJOMXDIJUWZQK-CHWSQXEVSA-N 1 0 423.930 2.452 20 5 HEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164765072 721099526 /nfs/dbraw/zinc/09/95/26/721099526.db2.gz IHJNOBVCHZPDGN-VXGBXAGGSA-N 1 0 412.281 2.383 20 5 HEBDRO CSc1nc(Cl)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164764804 721146306 /nfs/dbraw/zinc/14/63/06/721146306.db2.gz IAEYZBOGYCWDRS-STQMWFEESA-N 1 0 423.930 2.452 20 5 HEBDRO Cc1c(C)c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164890915 721418376 /nfs/dbraw/zinc/41/83/76/721418376.db2.gz UIBZRWWTMSXGGI-WIYYLYMNSA-N 1 0 403.527 2.372 20 5 HEBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001164785687 721461941 /nfs/dbraw/zinc/46/19/41/721461941.db2.gz MPGBIQNJAPAKNT-QGZVFWFLSA-N 1 0 419.526 2.306 20 5 HEBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164906393 721533761 /nfs/dbraw/zinc/53/37/61/721533761.db2.gz KRXPSWSEXMSPIN-GDBMZVCRSA-N 1 0 403.414 2.183 20 5 HEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981535 722105389 /nfs/dbraw/zinc/10/53/89/722105389.db2.gz LQELSINJCYRXQQ-HOTGVXAUSA-N 1 0 418.885 2.469 20 5 HEBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000746296045 1078844934 /nfs/dbraw/zinc/84/49/34/1078844934.db2.gz IVKAPIREEWFBTP-PBHICJAKSA-N 1 0 417.462 2.270 20 5 HEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000746343484 1078867155 /nfs/dbraw/zinc/86/71/55/1078867155.db2.gz DWZVYDXTUVISSD-QGZVFWFLSA-N 1 0 402.495 2.235 20 5 HEBDRO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC(C)C)CC1 ZINC000746429197 1078938694 /nfs/dbraw/zinc/93/86/94/1078938694.db2.gz BFQHUNKERDQRJB-UHFFFAOYSA-N 1 0 400.501 2.309 20 5 HEBDRO O=C(C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC001169024457 1079113096 /nfs/dbraw/zinc/11/30/96/1079113096.db2.gz HDRKFZPHJSGPHU-RBBKRZOGSA-N 1 0 414.550 2.488 20 5 HEBDRO COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@H]1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169048716 1079115563 /nfs/dbraw/zinc/11/55/63/1079115563.db2.gz AWDHBWUHSRRASI-DICRZQGBSA-N 1 0 411.499 2.306 20 5 HEBDRO O=C1C[C@]2(CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CN1c1ccc2c(c1)OCCO2 ZINC001169026187 1079113584 /nfs/dbraw/zinc/11/35/84/1079113584.db2.gz VRKGTHAGTLIKNG-QYWGDWMGSA-N 1 0 401.463 2.332 20 5 HEBDRO CC(C)N(c1nc2c(cc1C(=O)N(C)C)CC[NH2+]CC2)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026397 1079113602 /nfs/dbraw/zinc/11/36/02/1079113602.db2.gz LQTHRJXMQIHILT-RDJZCZTQSA-N 1 0 403.527 2.132 20 5 HEBDRO CC(C)[NH+]1CCC(N2CCN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)CC1 ZINC000771175368 1079209976 /nfs/dbraw/zinc/20/99/76/1079209976.db2.gz PBZAAIQXLXNQJM-UHFFFAOYSA-N 1 0 413.526 2.301 20 5 HEBDRO COC(=O)C[C@](C)([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccn1 ZINC001169407759 1079253477 /nfs/dbraw/zinc/25/34/77/1079253477.db2.gz ILZXHBHKXCNGHK-FQEVSTJZSA-N 1 0 416.434 2.395 20 5 HEBDRO CC[NH+](CC)CC1CCN(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000738071240 1075957980 /nfs/dbraw/zinc/95/79/80/1075957980.db2.gz OTKXFZHWJLNTHI-OAQYLSRUSA-N 1 0 417.510 2.373 20 5 HEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326765 1075990963 /nfs/dbraw/zinc/99/09/63/1075990963.db2.gz RDPIZLVBWHBEDR-UHFFFAOYSA-N 1 0 408.499 2.458 20 5 HEBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000738525108 1075999768 /nfs/dbraw/zinc/99/97/68/1075999768.db2.gz ZDEAXKZNEWVMLV-UHFFFAOYSA-N 1 0 405.476 2.332 20 5 HEBDRO CN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000741625816 1076570574 /nfs/dbraw/zinc/57/05/74/1076570574.db2.gz SUQNUMRGSCEXRS-LLVKDONJSA-N 1 0 403.220 2.366 20 5 HEBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000742277017 1076808448 /nfs/dbraw/zinc/80/84/48/1076808448.db2.gz IVSNCOQXOAIBJJ-CHWSQXEVSA-N 1 0 404.286 2.262 20 5 HEBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000742301164 1076822725 /nfs/dbraw/zinc/82/27/25/1076822725.db2.gz AMDHOKXSKZKXSV-GFCCVEGCSA-N 1 0 418.313 2.464 20 5 HEBDRO O=C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000744409255 1077383194 /nfs/dbraw/zinc/38/31/94/1077383194.db2.gz NXGLQELKQPUAGQ-IBGZPJMESA-N 1 0 415.538 2.051 20 5 HEBDRO O=[N+]([O-])c1cn(CN2CCC(OCC[NH+]3CCCC3)CC2)nc1-c1ccncc1 ZINC000744441280 1077395691 /nfs/dbraw/zinc/39/56/91/1077395691.db2.gz LNPYKFRSBVHOSK-UHFFFAOYSA-N 1 0 400.483 2.388 20 5 HEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766949279 1079542582 /nfs/dbraw/zinc/54/25/82/1079542582.db2.gz HKAGOUPZRQQFAX-YJBOKZPZSA-N 1 0 417.466 2.254 20 5 HEBDRO O=C1COc2cc([N+](=O)[O-])c(NCc3ccccc3C[N@H+]3CCC[C@@H]3CO)cc2N1 ZINC000767312443 1079813333 /nfs/dbraw/zinc/81/33/33/1079813333.db2.gz QVELHDUIUVMNGS-MRXNPFEDSA-N 1 0 412.446 2.495 20 5 HEBDRO CS(=O)(=O)Nc1ccc(N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000767750563 1080066753 /nfs/dbraw/zinc/06/67/53/1080066753.db2.gz JCYSFTJNPSBURE-UHFFFAOYSA-N 1 0 420.491 2.167 20 5 HEBDRO C[N@@H+]1C[C@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156590619 1080260548 /nfs/dbraw/zinc/26/05/48/1080260548.db2.gz NEXNJDARSOMSGU-LBPRGKRZSA-N 1 0 403.220 2.269 20 5 HEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000787189186 1081055724 /nfs/dbraw/zinc/05/57/24/1081055724.db2.gz LZFZSZVEVPHOIS-DZGCQCFKSA-N 1 0 402.373 2.276 20 5 HEBDRO CCOC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1[N+](=O)[O-] ZINC001164820075 720192127 /nfs/dbraw/zinc/19/21/27/720192127.db2.gz ZJWOVKQTGQUWEK-IERDGZPVSA-N 1 0 418.494 2.351 20 5 HEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738531 720687532 /nfs/dbraw/zinc/68/75/32/720687532.db2.gz KJSFIVZQHZIYOX-MNOVXSKESA-N 1 0 411.249 2.429 20 5 HEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(F)c1 ZINC001164745589 720822561 /nfs/dbraw/zinc/82/25/61/720822561.db2.gz WYSSSJWZRCWCCZ-YXJHDRRASA-N 1 0 401.446 2.100 20 5 HEBDRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@@H]2C1 ZINC001164853358 720834928 /nfs/dbraw/zinc/83/49/28/720834928.db2.gz OJGNRXNKVFILHN-IUODEOHRSA-N 1 0 420.844 2.362 20 5 HEBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164747497 720835845 /nfs/dbraw/zinc/83/58/45/720835845.db2.gz QXVWMFCLLDEDOU-LZLYRXPVSA-N 1 0 422.493 2.442 20 5 HEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164854182 720851932 /nfs/dbraw/zinc/85/19/32/720851932.db2.gz PUQJYJZGGRWEIM-YPMHNXCESA-N 1 0 405.282 2.470 20 5 HEBDRO Cc1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164870066 721046981 /nfs/dbraw/zinc/04/69/81/721046981.db2.gz VPWUKBCSQXRTDT-CABCVRRESA-N 1 0 404.858 2.221 20 5 HEBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865761 721080971 /nfs/dbraw/zinc/08/09/71/721080971.db2.gz PHARZTXLMPHNGJ-ZWKOTPCHSA-N 1 0 406.446 2.413 20 5 HEBDRO CSc1nc(Cl)nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164764795 721145956 /nfs/dbraw/zinc/14/59/56/721145956.db2.gz IAEYZBOGYCWDRS-CHWSQXEVSA-N 1 0 423.930 2.452 20 5 HEBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc(Cl)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164894495 721383449 /nfs/dbraw/zinc/38/34/49/721383449.db2.gz YJYZUUZDADESFL-QFBILLFUSA-N 1 0 409.918 2.409 20 5 HEBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C3)O2)CC1 ZINC001164890764 721424197 /nfs/dbraw/zinc/42/41/97/721424197.db2.gz FGUFFNBEXYQONY-HRAATJIYSA-N 1 0 414.510 2.237 20 5 HEBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000766333290 1078603752 /nfs/dbraw/zinc/60/37/52/1078603752.db2.gz SMHQXYSHVBPZPK-JKSUJKDBSA-N 1 0 413.496 2.404 20 5 HEBDRO CN(CCC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)C(=O)OC(C)(C)C ZINC000769945381 1078648171 /nfs/dbraw/zinc/64/81/71/1078648171.db2.gz HCLUZXCUIGHILA-QGZVFWFLSA-N 1 0 411.503 2.121 20 5 HEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000770173634 1078769338 /nfs/dbraw/zinc/76/93/38/1078769338.db2.gz PWIUUSBWMSUCBJ-KRWDZBQOSA-N 1 0 403.527 2.341 20 5 HEBDRO C[NH+](C)CCCC1CCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000766383413 1078933387 /nfs/dbraw/zinc/93/33/87/1078933387.db2.gz YYSSDHORHXJXEP-UHFFFAOYSA-N 1 0 403.483 2.375 20 5 HEBDRO CCOc1cc([C@@H](CS(C)(=O)=O)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1OC ZINC001168971365 1079094161 /nfs/dbraw/zinc/09/41/61/1079094161.db2.gz JSMGHSONKCDEJE-CWRNSKLLSA-N 1 0 400.497 2.215 20 5 HEBDRO COc1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)cc(OC)c1OC ZINC001169043573 1079109790 /nfs/dbraw/zinc/10/97/90/1079109790.db2.gz HELFPVBUBJGPSF-DJIMGWMZSA-N 1 0 421.494 2.352 20 5 HEBDRO CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169018061 1079110767 /nfs/dbraw/zinc/11/07/67/1079110767.db2.gz BIXJYPKVNBEPLK-PLMTUMEDSA-N 1 0 415.494 2.096 20 5 HEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)C1 ZINC001169019150 1079111167 /nfs/dbraw/zinc/11/11/67/1079111167.db2.gz DXNZVXNCPQCPQS-SJLPKXTDSA-N 1 0 414.510 2.191 20 5 HEBDRO O=C(C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC001169024453 1079113017 /nfs/dbraw/zinc/11/30/17/1079113017.db2.gz HDRKFZPHJSGPHU-IFMALSPDSA-N 1 0 414.550 2.488 20 5 HEBDRO Cc1nc(N(CC2CC2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)nc2c1COC[C@]21CC[NH2+]C1 ZINC001169026210 1079113616 /nfs/dbraw/zinc/11/36/16/1079113616.db2.gz VSTHFXLJMPRDHI-CBGDNZLLSA-N 1 0 401.511 2.208 20 5 HEBDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771508940 1079365607 /nfs/dbraw/zinc/36/56/07/1079365607.db2.gz HRHYOSAPVZBTKM-UHFFFAOYSA-N 1 0 400.420 2.012 20 5 HEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1[N+](=O)[O-] ZINC000771511652 1079367214 /nfs/dbraw/zinc/36/72/14/1079367214.db2.gz QFTGHXNIFNHEDG-UHFFFAOYSA-N 1 0 419.482 2.442 20 5 HEBDRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000771756894 1079487818 /nfs/dbraw/zinc/48/78/18/1079487818.db2.gz SSLFFINQAIORIL-ZBFHGGJFSA-N 1 0 417.503 2.458 20 5 HEBDRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000737990008 1075948407 /nfs/dbraw/zinc/94/84/07/1075948407.db2.gz IMYYCRRIPMNHCZ-UHFFFAOYSA-N 1 0 413.478 2.080 20 5 HEBDRO CC[NH+](CC)CC1CCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000738071687 1075957924 /nfs/dbraw/zinc/95/79/24/1075957924.db2.gz UMBPRONBFBSJIZ-UHFFFAOYSA-N 1 0 403.483 2.375 20 5 HEBDRO Cc1cc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc([N+](=O)[O-])c1F ZINC000771780710 1079503424 /nfs/dbraw/zinc/50/34/24/1079503424.db2.gz JYFFMOJTIMFUBC-NVXWUHKLSA-N 1 0 415.487 2.089 20 5 HEBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000742118868 1076747835 /nfs/dbraw/zinc/74/78/35/1076747835.db2.gz QGNDOAPOWUAIIZ-HNNXBMFYSA-N 1 0 405.451 2.129 20 5 HEBDRO O=C1CN(CN2CC[C@H](C[NH+]3CCCCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000742171143 1076763107 /nfs/dbraw/zinc/76/31/07/1076763107.db2.gz OBMHXFUBMSYIDQ-MRXNPFEDSA-N 1 0 401.467 2.129 20 5 HEBDRO C[NH+]1CCN(c2ncccc2CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000742396976 1076834220 /nfs/dbraw/zinc/83/42/20/1076834220.db2.gz IGMPTPCQAKOGAL-UHFFFAOYSA-N 1 0 412.450 2.310 20 5 HEBDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000743843012 1077148030 /nfs/dbraw/zinc/14/80/30/1077148030.db2.gz KMMRDHQYZBOHBS-CGTJXYLNSA-N 1 0 423.514 2.264 20 5 HEBDRO CC(C)(C)OC(=O)N1CCC([N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000744392412 1077373857 /nfs/dbraw/zinc/37/38/57/1077373857.db2.gz MOADPQFIRATHBE-KRWDZBQOSA-N 1 0 409.487 2.016 20 5 HEBDRO O=C(CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000744407712 1077382497 /nfs/dbraw/zinc/38/24/97/1077382497.db2.gz PTNQPSLOOBFKNN-CQSZACIVSA-N 1 0 400.395 2.413 20 5 HEBDRO CC[NH+](CC)CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000767869602 1080192342 /nfs/dbraw/zinc/19/23/42/1080192342.db2.gz YHCCFORAMUDDOY-AWEZNQCLSA-N 1 0 417.915 2.219 20 5 HEBDRO COc1ccc(NC(=O)CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c([N+](=O)[O-])c1 ZINC000785857274 1080284399 /nfs/dbraw/zinc/28/43/99/1080284399.db2.gz DPLYOYIXSXHUGZ-UHFFFAOYSA-N 1 0 418.410 2.374 20 5 HEBDRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768808579 1080785391 /nfs/dbraw/zinc/78/53/91/1080785391.db2.gz CIHGJNVBHGKQOU-ZDUSSCGKSA-N 1 0 419.525 2.085 20 5 HEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000769451070 1081083614 /nfs/dbraw/zinc/08/36/14/1081083614.db2.gz JDWWGULEHZUVMX-SMDDNHRTSA-N 1 0 418.313 2.462 20 5 HEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000769451622 1081084500 /nfs/dbraw/zinc/08/45/00/1081084500.db2.gz LXHLGRCTDSBFBW-RISCZKNCSA-N 1 0 418.313 2.462 20 5 HEBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000769532713 1081113281 /nfs/dbraw/zinc/11/32/81/1081113281.db2.gz MCLRPJLQHIOYJA-OAHLLOKOSA-N 1 0 411.300 2.096 20 5 HEBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164399908 718844050 /nfs/dbraw/zinc/84/40/50/718844050.db2.gz JOZAUEHBNOZDRM-CQSZACIVSA-N 1 0 424.839 2.344 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001164828202 720314154 /nfs/dbraw/zinc/31/41/54/720314154.db2.gz YYDKWHJEXHPMIV-UXHICEINSA-N 1 0 424.505 2.450 20 5 HEBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164833717 720545035 /nfs/dbraw/zinc/54/50/35/720545035.db2.gz BGJLHNMDDPCNCJ-GVDBMIGSSA-N 1 0 415.498 2.276 20 5 HEBDRO O=[N+]([O-])c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2[nH]ccc21 ZINC001164740036 720839849 /nfs/dbraw/zinc/83/98/49/720839849.db2.gz BPJKQWVKHSAHCF-SOLBZPMBSA-N 1 0 422.493 2.442 20 5 HEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164984381 722107851 /nfs/dbraw/zinc/10/78/51/722107851.db2.gz SYIIHAVJTBUPPC-QAPCUYQASA-N 1 0 414.422 2.020 20 5 HEBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000770424086 1078846998 /nfs/dbraw/zinc/84/69/98/1078846998.db2.gz JLARTBWUIQPRKQ-UHFFFAOYSA-N 1 0 412.468 2.273 20 5 HEBDRO COc1ccc([N+](=O)[O-])cc1OCc1cc2ccccc2nc1-n1nnnc1C[NH3+] ZINC001168920214 1079075839 /nfs/dbraw/zinc/07/58/39/1079075839.db2.gz AXRWAQAAIAZUEF-UHFFFAOYSA-N 1 0 407.390 2.165 20 5 HEBDRO CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011886 1079099056 /nfs/dbraw/zinc/09/90/56/1079099056.db2.gz NDYYPEFYDUKXQK-ZOFXXKQRSA-N 1 0 411.499 2.305 20 5 HEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCc2ccccc2)C1 ZINC001168987037 1079101295 /nfs/dbraw/zinc/10/12/95/1079101295.db2.gz HEQKMUKJZFCFCY-LEWJYISDSA-N 1 0 410.511 2.288 20 5 HEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCc2ccccc2)C1 ZINC001168987039 1079101326 /nfs/dbraw/zinc/10/13/26/1079101326.db2.gz HEQKMUKJZFCFCY-NHCUHLMSSA-N 1 0 410.511 2.288 20 5 HEBDRO COc1cc2ncnc(N3CC[NH+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)CC3)c2cc1OC ZINC001169034515 1079105233 /nfs/dbraw/zinc/10/52/33/1079105233.db2.gz GWIGLWSZHDPZQZ-HUUCEWRRSA-N 1 0 401.467 2.214 20 5 HEBDRO CNC(=O)c1cc2c(nc1N(CC(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC[NH2+]CC2 ZINC001169023923 1079112578 /nfs/dbraw/zinc/11/25/78/1079112578.db2.gz VNARXSGUQOCYOM-DOTOQJQBSA-N 1 0 403.527 2.037 20 5 HEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)C1 ZINC001169025283 1079113032 /nfs/dbraw/zinc/11/30/32/1079113032.db2.gz YKQIXNYDNGSVQA-JSXRDJHFSA-N 1 0 421.563 2.401 20 5 HEBDRO CCN1[C@H]2CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169024816 1079113150 /nfs/dbraw/zinc/11/31/50/1079113150.db2.gz QYJNSXNUTBHARG-XSLAGTTESA-N 1 0 423.535 2.368 20 5 HEBDRO COC(=O)C(C(=O)OC)c1ncc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC001169142049 1079164188 /nfs/dbraw/zinc/16/41/88/1079164188.db2.gz FOORGTZEVGQVRS-RBZFPXEDSA-N 1 0 422.482 2.375 20 5 HEBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2)c1 ZINC001169149878 1079166585 /nfs/dbraw/zinc/16/65/85/1079166585.db2.gz PCRDJVCSXUADIM-QGZVFWFLSA-N 1 0 406.446 2.488 20 5 HEBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001169537845 1079325283 /nfs/dbraw/zinc/32/52/83/1079325283.db2.gz BROMWJBXIYUKLZ-DNVCBOLYSA-N 1 0 421.461 2.211 20 5 HEBDRO Cc1cc(S(=O)(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc([N+](=O)[O-])c1F ZINC000771733148 1079469846 /nfs/dbraw/zinc/46/98/46/1079469846.db2.gz ISOLIZNPWOSGNG-UHFFFAOYSA-N 1 0 411.455 2.461 20 5 HEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000742011793 1076706719 /nfs/dbraw/zinc/70/67/19/1076706719.db2.gz PENDSOMTWPOJOA-UHFFFAOYSA-N 1 0 419.482 2.492 20 5 HEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000742305623 1076813271 /nfs/dbraw/zinc/81/32/71/1076813271.db2.gz WZVQKJMLFKPSSB-CMPLNLGQSA-N 1 0 406.302 2.318 20 5 HEBDRO Cc1c(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000743766445 1077119180 /nfs/dbraw/zinc/11/91/80/1077119180.db2.gz XOMSYXVEJZACIF-HXUWFJFHSA-N 1 0 414.418 2.178 20 5 HEBDRO O=C1OCCN1c1cccc2c1CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000743857414 1077144242 /nfs/dbraw/zinc/14/42/42/1077144242.db2.gz AYXFHJRCUWJACR-QGZVFWFLSA-N 1 0 413.430 2.349 20 5 HEBDRO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000743843124 1077147096 /nfs/dbraw/zinc/14/70/96/1077147096.db2.gz QTLPBIPTHMRCQU-MSOLQXFVSA-N 1 0 423.514 2.264 20 5 HEBDRO C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1n1ccnc1 ZINC000767432440 1079861028 /nfs/dbraw/zinc/86/10/28/1079861028.db2.gz FVDVHNNSRIVVOD-PXNSSMCTSA-N 1 0 412.494 2.023 20 5 HEBDRO COCC[C@@H]1CCCC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000767940475 1080233975 /nfs/dbraw/zinc/23/39/75/1080233975.db2.gz MNIYJOQFVSJGRW-SFHVURJKSA-N 1 0 404.511 2.382 20 5 HEBDRO CN(C(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000786097382 1080392693 /nfs/dbraw/zinc/39/26/93/1080392693.db2.gz VRIXMIHFSMRXDP-UHFFFAOYSA-N 1 0 405.451 2.136 20 5 HEBDRO O=C(C[NH+]1CCCC1)N1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000769317734 1081040709 /nfs/dbraw/zinc/04/07/09/1081040709.db2.gz XAKITWYTZXXBKK-UHFFFAOYSA-N 1 0 411.300 2.097 20 5 HEBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2 ZINC001164709709 720095904 /nfs/dbraw/zinc/09/59/04/720095904.db2.gz CLKDPINCOHSZME-IBGZPJMESA-N 1 0 413.478 2.131 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001164818581 720302811 /nfs/dbraw/zinc/30/28/11/720302811.db2.gz AKWFJHYAORKWPW-WOJBJXKFSA-N 1 0 424.505 2.450 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001164818580 720303109 /nfs/dbraw/zinc/30/31/09/720303109.db2.gz AKWFJHYAORKWPW-VQTJNVASSA-N 1 0 424.505 2.450 20 5 HEBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745458 720810905 /nfs/dbraw/zinc/81/09/05/720810905.db2.gz KLASPUIMARHDRG-RBSFLKMASA-N 1 0 418.889 2.009 20 5 HEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740863 720817344 /nfs/dbraw/zinc/81/73/44/720817344.db2.gz LVOCITYVOAHRRO-HYVNUMGLSA-N 1 0 401.446 2.100 20 5 HEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164854174 720852221 /nfs/dbraw/zinc/85/22/21/720852221.db2.gz PUQJYJZGGRWEIM-AAEUAGOBSA-N 1 0 405.282 2.470 20 5 HEBDRO O=[N+]([O-])c1ccc2ncc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164867535 721057605 /nfs/dbraw/zinc/05/76/05/721057605.db2.gz JNQDSDHRQDQFSN-ZWKOTPCHSA-N 1 0 406.446 2.413 20 5 HEBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])cc(Cl)n4)C3)O2)CC1 ZINC001164893624 721382528 /nfs/dbraw/zinc/38/25/28/721382528.db2.gz WFUALQAHCHXXRM-APWZRJJASA-N 1 0 409.918 2.409 20 5 HEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889825 721392279 /nfs/dbraw/zinc/39/22/79/721392279.db2.gz MNMVTBVZEWURNW-HNAYVOBHSA-N 1 0 424.933 2.112 20 5 HEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164888200 721417560 /nfs/dbraw/zinc/41/75/60/721417560.db2.gz NLWKFCRAHYASRQ-WIYYLYMNSA-N 1 0 403.527 2.372 20 5 HEBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C3)O2)CC1 ZINC001164890767 721425082 /nfs/dbraw/zinc/42/50/82/721425082.db2.gz FGUFFNBEXYQONY-KKSFZXQISA-N 1 0 414.510 2.237 20 5 HEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164904007 721543613 /nfs/dbraw/zinc/54/36/13/721543613.db2.gz FCJSCFCMFFQPNN-GOEBONIOSA-N 1 0 408.817 2.363 20 5 HEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164928512 721850932 /nfs/dbraw/zinc/85/09/32/721850932.db2.gz NXAHAZQQDRDRJV-ZIAGYGMSSA-N 1 0 411.890 2.035 20 5 HEBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000065420913 1078661349 /nfs/dbraw/zinc/66/13/49/1078661349.db2.gz WUEKFUZUTWBKGT-CYBMUJFWSA-N 1 0 408.524 2.413 20 5 HEBDRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000746454797 1078984896 /nfs/dbraw/zinc/98/48/96/1078984896.db2.gz HSMGTFPKSOHHOA-HTAPYJJXSA-N 1 0 418.538 2.410 20 5 HEBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)C[C@@]2(C)C1 ZINC001168929154 1079088203 /nfs/dbraw/zinc/08/82/03/1079088203.db2.gz GDVYLVXDQWGFKC-HDICACEKSA-N 1 0 402.480 2.278 20 5 HEBDRO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]12 ZINC001169029726 1079102894 /nfs/dbraw/zinc/10/28/94/1079102894.db2.gz VPFIMBOGSZOVQP-NBYUQASBSA-N 1 0 407.536 2.109 20 5 HEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)C1 ZINC001169019148 1079111090 /nfs/dbraw/zinc/11/10/90/1079111090.db2.gz DXNZVXNCPQCPQS-AEFFLSMTSA-N 1 0 414.510 2.191 20 5 HEBDRO O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169023956 1079112535 /nfs/dbraw/zinc/11/25/35/1079112535.db2.gz WDBXPAOGLKYARM-RIFZZMRRSA-N 1 0 404.442 2.108 20 5 HEBDRO CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001169104810 1079130990 /nfs/dbraw/zinc/13/09/90/1079130990.db2.gz WDIXOKKXJTYJAZ-HNNXBMFYSA-N 1 0 415.450 2.142 20 5 HEBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccnc(-n4ccc([N+](=O)[O-])n4)c3)C2)c1 ZINC001169150764 1079166651 /nfs/dbraw/zinc/16/66/51/1079166651.db2.gz VKVRVTHBERBDES-GOSISDBHSA-N 1 0 406.446 2.488 20 5 HEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000771509772 1079366514 /nfs/dbraw/zinc/36/65/14/1079366514.db2.gz LFMRQXDYJCFGID-OCCSQVGLSA-N 1 0 407.496 2.466 20 5 HEBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000742277018 1076808427 /nfs/dbraw/zinc/80/84/27/1076808427.db2.gz IVSNCOQXOAIBJJ-OLZOCXBDSA-N 1 0 404.286 2.262 20 5 HEBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@@H+]1C ZINC000742304111 1076812631 /nfs/dbraw/zinc/81/26/31/1076812631.db2.gz PCRHQTJEMYNVGR-MNOVXSKESA-N 1 0 406.302 2.461 20 5 HEBDRO C[NH+]1CCC(CCNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000742286683 1076816521 /nfs/dbraw/zinc/81/65/21/1076816521.db2.gz YUJCRRZBFVMLDE-UHFFFAOYSA-N 1 0 406.302 2.368 20 5 HEBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000742301166 1076822662 /nfs/dbraw/zinc/82/26/62/1076822662.db2.gz AMDHOKXSKZKXSV-LBPRGKRZSA-N 1 0 418.313 2.464 20 5 HEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000742345894 1076831903 /nfs/dbraw/zinc/83/19/03/1076831903.db2.gz ATWWPSSIFUGROO-NSHDSACASA-N 1 0 406.302 2.320 20 5 HEBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000742397419 1076834437 /nfs/dbraw/zinc/83/44/37/1076834437.db2.gz FJZCKLLRPNGZQD-UHFFFAOYSA-N 1 0 404.467 2.490 20 5 HEBDRO NC(=O)c1cc(OC2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)ccn1 ZINC000772346620 1079835392 /nfs/dbraw/zinc/83/53/92/1079835392.db2.gz OXTZMEMNDCJZPJ-UHFFFAOYSA-N 1 0 400.435 2.401 20 5 HEBDRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)CC1=O ZINC000785640281 1080085560 /nfs/dbraw/zinc/08/55/60/1080085560.db2.gz GJJWQXGXMQQXOS-ZFWWWQNUSA-N 1 0 416.434 2.112 20 5 HEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000785815753 1080256719 /nfs/dbraw/zinc/25/67/19/1080256719.db2.gz RRILRTATYDXNQG-AWEZNQCLSA-N 1 0 406.439 2.147 20 5 HEBDRO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(CC[NH+](C)C)cc1 ZINC000786080149 1080413661 /nfs/dbraw/zinc/41/36/61/1080413661.db2.gz XSPHFHAAUXPKOQ-UHFFFAOYSA-N 1 0 422.507 2.493 20 5 HEBDRO C[N@H+](CCOC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Cc1ccc(F)cc1 ZINC000769070328 1080924358 /nfs/dbraw/zinc/92/43/58/1080924358.db2.gz RCZAYGJYMRYVMY-UHFFFAOYSA-N 1 0 417.393 2.135 20 5 HEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000769451623 1081084632 /nfs/dbraw/zinc/08/46/32/1081084632.db2.gz LXHLGRCTDSBFBW-SMDDNHRTSA-N 1 0 418.313 2.462 20 5 HEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000769451595 1081085021 /nfs/dbraw/zinc/08/50/21/1081085021.db2.gz KKEIVDCCAFPVOJ-BXUZGUMPSA-N 1 0 418.313 2.462 20 5 HEBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCOCC34C[NH2+]C4)c(Cl)nn2)c1 ZINC001164405424 718861134 /nfs/dbraw/zinc/86/11/34/718861134.db2.gz RRYPNSGMTUTHFV-UHFFFAOYSA-N 1 0 411.796 2.429 20 5 HEBDRO COc1cc2ncnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2cc1[N+](=O)[O-] ZINC001164683016 719622648 /nfs/dbraw/zinc/62/26/48/719622648.db2.gz QHOQTVFPHDJGBX-UHFFFAOYSA-N 1 0 411.466 2.218 20 5 HEBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CC2 ZINC001164683955 719708553 /nfs/dbraw/zinc/70/85/53/719708553.db2.gz MIXUCXWRQULCHR-UHFFFAOYSA-N 1 0 402.282 2.477 20 5 HEBDRO Cc1nc(Cl)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164825313 720291012 /nfs/dbraw/zinc/29/10/12/720291012.db2.gz TUFJZWNSQYVXCG-CABCVRRESA-N 1 0 422.917 2.258 20 5 HEBDRO COc1cc(C)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164823937 720314330 /nfs/dbraw/zinc/31/43/30/720314330.db2.gz QTSDMRFOEFTBPI-DLBZAZTESA-N 1 0 417.510 2.218 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001164828204 720314441 /nfs/dbraw/zinc/31/44/41/720314441.db2.gz YYDKWHJEXHPMIV-VQTJNVASSA-N 1 0 424.505 2.450 20 5 HEBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164745833 720780364 /nfs/dbraw/zinc/78/03/64/720780364.db2.gz VZCSTHNCECDEHT-HZPDHXFCSA-N 1 0 419.445 2.184 20 5 HEBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164745834 720780669 /nfs/dbraw/zinc/78/06/69/720780669.db2.gz VZCSTHNCECDEHT-JKSUJKDBSA-N 1 0 419.445 2.184 20 5 HEBDRO O=[N+]([O-])c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2[nH]ccc21 ZINC001164740034 720839737 /nfs/dbraw/zinc/83/97/37/720839737.db2.gz BPJKQWVKHSAHCF-JFIYKMOQSA-N 1 0 422.493 2.442 20 5 HEBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)cc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164888865 721402460 /nfs/dbraw/zinc/40/24/60/721402460.db2.gz PACDRZVZQZUBIP-APWZRJJASA-N 1 0 409.918 2.409 20 5 HEBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C3)O2)CC1 ZINC001164883645 721420689 /nfs/dbraw/zinc/42/06/89/721420689.db2.gz BPTJPHFHKHFNSI-IERDGZPVSA-N 1 0 414.510 2.237 20 5 HEBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc4ccccc4cc2[N+](=O)[O-])CC3)CC1 ZINC001164797870 721516494 /nfs/dbraw/zinc/51/64/94/721516494.db2.gz PMOQCYNCVBPADW-UHFFFAOYSA-N 1 0 407.478 2.107 20 5 HEBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001164935947 721880664 /nfs/dbraw/zinc/88/06/64/721880664.db2.gz YUICAZQEPBUFEA-VHSXEESVSA-N 1 0 408.812 2.272 20 5 HEBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983424 722100476 /nfs/dbraw/zinc/10/04/76/722100476.db2.gz QAPUBGXYWPAGGK-HOCLYGCPSA-N 1 0 404.858 2.161 20 5 HEBDRO COc1cc(C)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164971418 722112581 /nfs/dbraw/zinc/11/25/81/722112581.db2.gz CKBFMQDRFQBUDM-HKUYNNGSSA-N 1 0 413.478 2.429 20 5 HEBDRO Cc1cc(Cl)c(S(=O)(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000770299606 1078822184 /nfs/dbraw/zinc/82/21/84/1078822184.db2.gz MDXOCADQPBTOSI-UHFFFAOYSA-N 1 0 418.947 2.251 20 5 HEBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000770358650 1078830168 /nfs/dbraw/zinc/83/01/68/1078830168.db2.gz ATQNRMHWPWVVCT-UHFFFAOYSA-N 1 0 401.467 2.487 20 5 HEBDRO Cc1cccc(CN2C(=O)COC3(CC[NH+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)CC3)[C@@H]2C)n1 ZINC001169010665 1079098594 /nfs/dbraw/zinc/09/85/94/1079098594.db2.gz FHRNGXVDIFHXAQ-NLWGTHIKSA-N 1 0 416.522 2.417 20 5 HEBDRO CC(C)(C)OC(=O)N1CCOC[C@]2(C1)C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CCCO2 ZINC001169014401 1079099899 /nfs/dbraw/zinc/09/98/99/1079099899.db2.gz ZDKBRYLISBNFJL-SQGPQFPESA-N 1 0 413.515 2.160 20 5 HEBDRO Cc1nc(CN2CCN(C)C3(CC[NH+]([C@H]4CC[C@@H](C[N+](=O)[O-])C4)CC3)C2=O)cs1 ZINC001169021535 1079111637 /nfs/dbraw/zinc/11/16/37/1079111637.db2.gz LJVQVHYHUPDKLP-AEFFLSMTSA-N 1 0 421.567 2.006 20 5 HEBDRO O=C(NCCc1cccs1)[C@H]1C[C@H]2OCC[C@H]2[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169021490 1079111658 /nfs/dbraw/zinc/11/16/58/1079111658.db2.gz OIBNFFXHHJUIOO-AEXBHSQCSA-N 1 0 407.536 2.332 20 5 HEBDRO CNC(=O)c1cc2c(nc1N(CC(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1)CC[NH2+]CC2 ZINC001169023925 1079112461 /nfs/dbraw/zinc/11/24/61/1079112461.db2.gz VNARXSGUQOCYOM-RDJZCZTQSA-N 1 0 403.527 2.037 20 5 HEBDRO Cc1nc(N(CC2CC2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)nc2c1COC[C@@]21CC[NH2+]C1 ZINC001169026212 1079113620 /nfs/dbraw/zinc/11/36/20/1079113620.db2.gz VSTHFXLJMPRDHI-FVJLSDCUSA-N 1 0 401.511 2.208 20 5 HEBDRO CC1(C)C[C@H](Nc2nc(S(C)(=O)=O)nc(Cl)c2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169139062 1079156277 /nfs/dbraw/zinc/15/62/77/1079156277.db2.gz XUTNDGGWHKZNRO-VFZGTOFNSA-N 1 0 405.908 2.397 20 5 HEBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000771573227 1079376220 /nfs/dbraw/zinc/37/62/20/1079376220.db2.gz YLLZFPMLSHDDBC-UHFFFAOYSA-N 1 0 403.220 2.366 20 5 HEBDRO COc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000738527123 1075999739 /nfs/dbraw/zinc/99/97/39/1075999739.db2.gz QEWLLXBWHVKFIP-UHFFFAOYSA-N 1 0 414.462 2.053 20 5 HEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)[C@H](C)C1 ZINC000741589718 1076547625 /nfs/dbraw/zinc/54/76/25/1076547625.db2.gz NSDIPNLYVZJIKQ-KEYYUXOJSA-N 1 0 406.458 2.276 20 5 HEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742303885 1076812788 /nfs/dbraw/zinc/81/27/88/1076812788.db2.gz BTZOHHDQPAEQBD-GWCFXTLKSA-N 1 0 406.302 2.318 20 5 HEBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000742293441 1076819844 /nfs/dbraw/zinc/81/98/44/1076819844.db2.gz HGYQMCJILCAHQV-NSHDSACASA-N 1 0 404.286 2.120 20 5 HEBDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000743843013 1077147674 /nfs/dbraw/zinc/14/76/74/1077147674.db2.gz KMMRDHQYZBOHBS-KBAYOESNSA-N 1 0 423.514 2.264 20 5 HEBDRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cc([N+](=O)[O-])c1F ZINC000771762327 1079515587 /nfs/dbraw/zinc/51/55/87/1079515587.db2.gz OSGAMPFEWKXCOL-UHFFFAOYSA-N 1 0 407.467 2.420 20 5 HEBDRO CS(=O)(=O)Nc1ccc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000767744134 1080062254 /nfs/dbraw/zinc/06/22/54/1080062254.db2.gz JWHWAEUPJFGTEJ-UHFFFAOYSA-N 1 0 404.492 2.331 20 5 HEBDRO C[NH+]1CCC(n2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n2)CC1 ZINC000786690391 1080759143 /nfs/dbraw/zinc/75/91/43/1080759143.db2.gz KZRFWQQWHPMQFL-UHFFFAOYSA-N 1 0 413.482 2.412 20 5 HEBDRO C[N@H+](CCN1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1)Cc1ccccc1 ZINC000768838157 1080818732 /nfs/dbraw/zinc/81/87/32/1080818732.db2.gz ZHTGWMYYSPTPRH-UHFFFAOYSA-N 1 0 424.548 2.095 20 5 HEBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000786819986 1080843868 /nfs/dbraw/zinc/84/38/68/1080843868.db2.gz CXMQIMPODGJBSY-UHFFFAOYSA-N 1 0 409.442 2.476 20 5 HEBDRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000787021977 1080953636 /nfs/dbraw/zinc/95/36/36/1080953636.db2.gz LMSDXLVYFLLDBQ-UHFFFAOYSA-N 1 0 413.478 2.080 20 5 HEBDRO COC(=O)[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2N)CCC[N@H+](Cc2ccccc2)C1 ZINC000787111946 1081005484 /nfs/dbraw/zinc/00/54/84/1081005484.db2.gz BCBMTXUBZJQIRP-OAQYLSRUSA-N 1 0 412.446 2.115 20 5 HEBDRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001164686187 719700123 /nfs/dbraw/zinc/70/01/23/719700123.db2.gz XVULHIZRFQQMCK-UHFFFAOYSA-N 1 0 417.844 2.369 20 5 HEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164814461 720142110 /nfs/dbraw/zinc/14/21/10/720142110.db2.gz SXFLPOJQPOPEIN-HRAATJIYSA-N 1 0 418.494 2.351 20 5 HEBDRO CCOC(=O)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c1[N+](=O)[O-] ZINC001164820072 720192207 /nfs/dbraw/zinc/19/22/07/720192207.db2.gz ZJWOVKQTGQUWEK-HRAATJIYSA-N 1 0 418.494 2.351 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001164833816 720329601 /nfs/dbraw/zinc/32/96/01/720329601.db2.gz XPIIIAHVAQQDKA-SJORKVTESA-N 1 0 412.494 2.383 20 5 HEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164841422 720567490 /nfs/dbraw/zinc/56/74/90/720567490.db2.gz VLHGHGXYIMCFIX-JENIJYKNSA-N 1 0 400.483 2.111 20 5 HEBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164747501 720836327 /nfs/dbraw/zinc/83/63/27/720836327.db2.gz QXVWMFCLLDEDOU-XYJFISCASA-N 1 0 422.493 2.442 20 5 HEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164854267 720845184 /nfs/dbraw/zinc/84/51/84/720845184.db2.gz QQYDAMCFQIYUDR-FZMZJTMJSA-N 1 0 405.282 2.470 20 5 HEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)CC[C@H]2C1 ZINC001164865059 720873571 /nfs/dbraw/zinc/87/35/71/720873571.db2.gz YCWVMJIXUDPLIM-PXNSSMCTSA-N 1 0 413.478 2.225 20 5 HEBDRO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)cnc2c1 ZINC001164868346 721062176 /nfs/dbraw/zinc/06/21/76/721062176.db2.gz NZKJDMSGONYHIR-ROUUACIJSA-N 1 0 406.446 2.413 20 5 HEBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)ncc4[N+](=O)[O-])C3)O2)CC1 ZINC001164888498 721391097 /nfs/dbraw/zinc/39/10/97/721391097.db2.gz JOJBNFHFHKBQFS-BEFAXECRSA-N 1 0 409.918 2.409 20 5 HEBDRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164896815 721524349 /nfs/dbraw/zinc/52/43/49/721524349.db2.gz BNIPHSZICCEMBD-WBVHZDCISA-N 1 0 416.409 2.257 20 5 HEBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001164935946 721880412 /nfs/dbraw/zinc/88/04/12/721880412.db2.gz YUICAZQEPBUFEA-UWVGGRQHSA-N 1 0 408.812 2.272 20 5 HEBDRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000769906633 1078627106 /nfs/dbraw/zinc/62/71/06/1078627106.db2.gz LXYAJKKIRLLKSQ-CYBMUJFWSA-N 1 0 418.947 2.109 20 5 HEBDRO CCN(CC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)C(=O)OC(C)(C)C ZINC000745946639 1078704708 /nfs/dbraw/zinc/70/47/08/1078704708.db2.gz WKKFUKPMHKACRI-QGZVFWFLSA-N 1 0 411.503 2.121 20 5 HEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC(C)(C)CCN2CC[NH+](C)CC2)c1 ZINC000770298640 1078821494 /nfs/dbraw/zinc/82/14/94/1078821494.db2.gz MJRBJPFIJKXXRE-UHFFFAOYSA-N 1 0 418.947 2.251 20 5 HEBDRO CCOC(=O)[C@H]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2N1C(=O)OC(C)(C)C ZINC001169010494 1079098417 /nfs/dbraw/zinc/09/84/17/1079098417.db2.gz CUIDPZFDNGZDMQ-HHARLNAUSA-N 1 0 411.499 2.305 20 5 HEBDRO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@]2(CCCC(=O)N2)C1 ZINC001169011293 1079098878 /nfs/dbraw/zinc/09/88/78/1079098878.db2.gz JJCLNPBPNYDGOB-RZQQEMMASA-N 1 0 410.515 2.023 20 5 HEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCc2ccccc2)C1 ZINC001168987040 1079101302 /nfs/dbraw/zinc/10/13/02/1079101302.db2.gz HEQKMUKJZFCFCY-RTWAWAEBSA-N 1 0 410.511 2.288 20 5 HEBDRO COc1cc2ncnc(N3CC[NH+]([C@H]4CC[C@H](C[N+](=O)[O-])C4)CC3)c2cc1OC ZINC001169034514 1079105259 /nfs/dbraw/zinc/10/52/59/1079105259.db2.gz GWIGLWSZHDPZQZ-GJZGRUSLSA-N 1 0 401.467 2.214 20 5 HEBDRO COc1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)cc(OC)c1OC ZINC001169043593 1079109725 /nfs/dbraw/zinc/10/97/25/1079109725.db2.gz HELFPVBUBJGPSF-USXIJHARSA-N 1 0 421.494 2.352 20 5 HEBDRO O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169023958 1079112471 /nfs/dbraw/zinc/11/24/71/1079112471.db2.gz WDBXPAOGLKYARM-XAUMDUMWSA-N 1 0 404.442 2.108 20 5 HEBDRO O=C(Cc1ccccc1)N1CCOC2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169025420 1079113088 /nfs/dbraw/zinc/11/30/88/1079113088.db2.gz ITLWATVGHBYEFX-UXHICEINSA-N 1 0 401.507 2.368 20 5 HEBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001169525392 1079323149 /nfs/dbraw/zinc/32/31/49/1079323149.db2.gz HBBFSZOHJZUARX-OXQOHEQNSA-N 1 0 410.474 2.351 20 5 HEBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001169525389 1079323398 /nfs/dbraw/zinc/32/33/98/1079323398.db2.gz HBBFSZOHJZUARX-OXJNMPFZSA-N 1 0 410.474 2.351 20 5 HEBDRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000741759134 1076617705 /nfs/dbraw/zinc/61/77/05/1076617705.db2.gz XOSNVFGBZVGZQG-NSHDSACASA-N 1 0 406.302 2.368 20 5 HEBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CC[C@@H](C[NH+]3CCCCC3)C2)C1=O ZINC000742170970 1076762819 /nfs/dbraw/zinc/76/28/19/1076762819.db2.gz MGSLRFYTVQTHMR-HRAATJIYSA-N 1 0 415.494 2.127 20 5 HEBDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[N@@H+]1C ZINC000742303634 1076812576 /nfs/dbraw/zinc/81/25/76/1076812576.db2.gz LEKSFRBAJGMNES-GHMZBOCLSA-N 1 0 406.302 2.461 20 5 HEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000742345300 1076831893 /nfs/dbraw/zinc/83/18/93/1076831893.db2.gz OLOJCUNPTHZROC-LLVKDONJSA-N 1 0 406.302 2.462 20 5 HEBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000742430076 1076839361 /nfs/dbraw/zinc/83/93/61/1076839361.db2.gz NKRMRRUCXNOJFC-INIZCTEOSA-N 1 0 404.492 2.201 20 5 HEBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000743482163 1077055524 /nfs/dbraw/zinc/05/55/24/1077055524.db2.gz DSGINJYYXOCRDW-UHFFFAOYSA-N 1 0 421.475 2.480 20 5 HEBDRO Cc1cc(C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000743778829 1077110833 /nfs/dbraw/zinc/11/08/33/1077110833.db2.gz PBWBPBMSEAYKGA-UHFFFAOYSA-N 1 0 413.478 2.364 20 5 HEBDRO Cc1c(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000744897757 1077640604 /nfs/dbraw/zinc/64/06/04/1077640604.db2.gz FDGZTXAKDJQMKZ-UHFFFAOYSA-N 1 0 422.438 2.266 20 5 HEBDRO Cc1cc(C(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000804345867 1079586376 /nfs/dbraw/zinc/58/63/76/1079586376.db2.gz SWDUCCBSAZQNLE-UHFFFAOYSA-N 1 0 411.506 2.375 20 5 HEBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000767125277 1079692459 /nfs/dbraw/zinc/69/24/59/1079692459.db2.gz DZOMQCZTILKDKQ-UHFFFAOYSA-N 1 0 407.467 2.375 20 5 HEBDRO CS[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000767315367 1079814978 /nfs/dbraw/zinc/81/49/78/1079814978.db2.gz NRXIUZAJXDQFKF-VXGBXAGGSA-N 1 0 424.342 2.023 20 5 HEBDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)CC1=O ZINC000785640274 1080085871 /nfs/dbraw/zinc/08/58/71/1080085871.db2.gz GJJWQXGXMQQXOS-DZGCQCFKSA-N 1 0 416.434 2.112 20 5 HEBDRO COc1ccc(-c2ccc(C[NH+]3CCC(C(=O)NCCO)CC3)o2)c([N+](=O)[O-])c1 ZINC000768320459 1080483597 /nfs/dbraw/zinc/48/35/97/1080483597.db2.gz UCDFURYBSUTZCI-UHFFFAOYSA-N 1 0 403.435 2.184 20 5 HEBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cs1 ZINC000768846463 1080822522 /nfs/dbraw/zinc/82/25/22/1080822522.db2.gz IUHMZJMDOVLBOT-UHFFFAOYSA-N 1 0 411.505 2.092 20 5 HEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000787189193 1081055553 /nfs/dbraw/zinc/05/55/53/1081055553.db2.gz LZFZSZVEVPHOIS-ZFWWWQNUSA-N 1 0 402.373 2.276 20 5 HEBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000769532709 1081113389 /nfs/dbraw/zinc/11/33/89/1081113389.db2.gz MCLRPJLQHIOYJA-HNNXBMFYSA-N 1 0 411.300 2.096 20 5 HEBDRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(C(=O)OC)c3[N+](=O)[O-])CC2)CC1 ZINC001164616350 719028059 /nfs/dbraw/zinc/02/80/59/719028059.db2.gz BLEIFMLFKIDZDU-UHFFFAOYSA-N 1 0 420.466 2.020 20 5 HEBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001164685087 719715765 /nfs/dbraw/zinc/71/57/65/719715765.db2.gz QWVADBLCDRNUMC-UHFFFAOYSA-N 1 0 402.282 2.477 20 5 HEBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001164689853 719740734 /nfs/dbraw/zinc/74/07/34/719740734.db2.gz MAXPLRJXIJRMHG-UHFFFAOYSA-N 1 0 410.478 2.233 20 5 HEBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001164713973 720139501 /nfs/dbraw/zinc/13/95/01/720139501.db2.gz UODAZXIKBPWDET-GOSISDBHSA-N 1 0 412.494 2.475 20 5 HEBDRO Cc1nc(Cl)nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1[N+](=O)[O-] ZINC001164813350 720211055 /nfs/dbraw/zinc/21/10/55/720211055.db2.gz OQUBPAHCGZPGKK-UHFFFAOYSA-N 1 0 421.889 2.154 20 5 HEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824579 720302008 /nfs/dbraw/zinc/30/20/08/720302008.db2.gz RRQIEHFNWZYLHL-LSDHHAIUSA-N 1 0 422.917 2.258 20 5 HEBDRO CN(C)/C=C/c1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)ncc1[N+](=O)[O-] ZINC001164736303 720579536 /nfs/dbraw/zinc/57/95/36/720579536.db2.gz HKSGGSABPIUCHO-WEVVVXLNSA-N 1 0 411.510 2.377 20 5 HEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164855528 720845690 /nfs/dbraw/zinc/84/56/90/720845690.db2.gz UJTSYYUROOXAKO-SCLBCKFNSA-N 1 0 421.885 2.365 20 5 HEBDRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@H]2C1 ZINC001164851496 720847775 /nfs/dbraw/zinc/84/77/75/720847775.db2.gz HUVOZFUJKDATCC-SWLSCSKDSA-N 1 0 420.844 2.362 20 5 HEBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164867644 721079332 /nfs/dbraw/zinc/07/93/32/721079332.db2.gz YZSBUUJNQUSQRT-ROUUACIJSA-N 1 0 406.446 2.413 20 5 HEBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164886238 721383538 /nfs/dbraw/zinc/38/35/38/721383538.db2.gz DRBMNRUWIQHAID-KXBFYZLASA-N 1 0 409.918 2.409 20 5 HEBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164900546 721523796 /nfs/dbraw/zinc/52/37/96/721523796.db2.gz SDZAIYDUYAOOAC-GOEBONIOSA-N 1 0 403.370 2.379 20 5 HEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164904009 721543362 /nfs/dbraw/zinc/54/33/62/721543362.db2.gz FCJSCFCMFFQPNN-ZBFHGGJFSA-N 1 0 408.817 2.363 20 5 HEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981537 722105018 /nfs/dbraw/zinc/10/50/18/722105018.db2.gz LQELSINJCYRXQQ-HZPDHXFCSA-N 1 0 418.885 2.469 20 5 HEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745975712 1078715346 /nfs/dbraw/zinc/71/53/46/1078715346.db2.gz RZJAPZZAUSDMMT-UHFFFAOYSA-N 1 0 422.438 2.371 20 5 HEBDRO C[NH+](C)[C@H]1Cc2ccccc2N(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000766339181 1078852090 /nfs/dbraw/zinc/85/20/90/1078852090.db2.gz MOBWJMMVUDVFQI-PGRDOPGGSA-N 1 0 423.473 2.312 20 5 HEBDRO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000746430122 1078941858 /nfs/dbraw/zinc/94/18/58/1078941858.db2.gz VRQMOJHFYLFJJN-QGZVFWFLSA-N 1 0 422.507 2.362 20 5 HEBDRO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000746430062 1078943329 /nfs/dbraw/zinc/94/33/29/1078943329.db2.gz PRAHIQZCVNRFRP-INIZCTEOSA-N 1 0 420.491 2.463 20 5 HEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c2ncccc12 ZINC000766498965 1079041115 /nfs/dbraw/zinc/04/11/15/1079041115.db2.gz VRDIJSWICVIGQV-OAHLLOKOSA-N 1 0 420.491 2.065 20 5 HEBDRO CCOc1cc([C@@H](CS(C)(=O)=O)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1OC ZINC001168971369 1079094093 /nfs/dbraw/zinc/09/40/93/1079094093.db2.gz JSMGHSONKCDEJE-NUEKZKHPSA-N 1 0 400.497 2.215 20 5 HEBDRO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001169011294 1079098916 /nfs/dbraw/zinc/09/89/16/1079098916.db2.gz JJCLNPBPNYDGOB-YRNRMSPPSA-N 1 0 410.515 2.023 20 5 HEBDRO CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011885 1079099089 /nfs/dbraw/zinc/09/90/89/1079099089.db2.gz NDYYPEFYDUKXQK-QUSNUVHPSA-N 1 0 411.499 2.305 20 5 HEBDRO COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169027144 1079102267 /nfs/dbraw/zinc/10/22/67/1079102267.db2.gz ZXXIEYDVCIUKKB-QRVBRYPASA-N 1 0 418.538 2.414 20 5 HEBDRO CN1CC2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)COc2ccccc2S1(=O)=O ZINC001169022226 1079111583 /nfs/dbraw/zinc/11/15/83/1079111583.db2.gz QXVAVADNORWRMI-DLBZAZTESA-N 1 0 423.535 2.227 20 5 HEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)C1 ZINC001169022858 1079112022 /nfs/dbraw/zinc/11/20/22/1079112022.db2.gz NDAPDYKYJIEJMX-ADHGMGHFSA-N 1 0 417.539 2.149 20 5 HEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)C1 ZINC001169022863 1079112058 /nfs/dbraw/zinc/11/20/58/1079112058.db2.gz NDAPDYKYJIEJMX-ZBRFXRBCSA-N 1 0 417.539 2.149 20 5 HEBDRO C[C@@H]1N(Cc2cccnc2)C(=O)COC12CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169026112 1079113639 /nfs/dbraw/zinc/11/36/39/1079113639.db2.gz KTGBCQHNLAPKBK-LNLFQRSKSA-N 1 0 402.495 2.109 20 5 HEBDRO [NH3+][C@@H](CO)Cc1cncn1-c1nnc(-c2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001169071435 1079124127 /nfs/dbraw/zinc/12/41/27/1079124127.db2.gz DINZSHMLVCOMCE-SNVBAGLBSA-N 1 0 408.340 2.118 20 5 HEBDRO CC(C)[NH+]1CCC(N2CCN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC2)CC1 ZINC000771177012 1079211006 /nfs/dbraw/zinc/21/10/06/1079211006.db2.gz YJSVOPRUVHHQOS-UHFFFAOYSA-N 1 0 413.526 2.301 20 5 HEBDRO NC(=O)c1ccnc(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)c1[N+](=O)[O-] ZINC001169609275 1079344989 /nfs/dbraw/zinc/34/49/89/1079344989.db2.gz SRSDMUMKNKLRAI-UHFFFAOYSA-N 1 0 409.324 2.432 20 5 HEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000771509773 1079366425 /nfs/dbraw/zinc/36/64/25/1079366425.db2.gz LFMRQXDYJCFGID-TZMCWYRMSA-N 1 0 407.496 2.466 20 5 HEBDRO Cc1cc(S(=O)(=O)NCc2cccc(OCC[NH+](C)C)c2)cc([N+](=O)[O-])c1F ZINC000771734087 1079470289 /nfs/dbraw/zinc/47/02/89/1079470289.db2.gz LYJLFFXADGOOPM-UHFFFAOYSA-N 1 0 411.455 2.461 20 5 HEBDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2)CC1 ZINC000737678182 1075915762 /nfs/dbraw/zinc/91/57/62/1075915762.db2.gz MNCDEWSNVGXDOS-UHFFFAOYSA-N 1 0 413.478 2.173 20 5 HEBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[C@@H]2C[NH+]2CCCCC2)C1=O ZINC000738097034 1075960363 /nfs/dbraw/zinc/96/03/63/1075960363.db2.gz NMPWYICQJGRUDJ-WIYYLYMNSA-N 1 0 415.494 2.270 20 5 HEBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[C@H]2C[NH+]2CCCCC2)C1=O ZINC000738097026 1075960518 /nfs/dbraw/zinc/96/05/18/1075960518.db2.gz NMPWYICQJGRUDJ-GHTZIAJQSA-N 1 0 415.494 2.270 20 5 HEBDRO Cc1cc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc([N+](=O)[O-])c1F ZINC000771780717 1079503414 /nfs/dbraw/zinc/50/34/14/1079503414.db2.gz JYFFMOJTIMFUBC-WBVHZDCISA-N 1 0 415.487 2.089 20 5 HEBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742304047 1076812621 /nfs/dbraw/zinc/81/26/21/1076812621.db2.gz MKKOJRFLTCWHRS-PWSUYJOCSA-N 1 0 406.302 2.461 20 5 HEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742303887 1076812711 /nfs/dbraw/zinc/81/27/11/1076812711.db2.gz BTZOHHDQPAEQBD-GXFFZTMASA-N 1 0 406.302 2.318 20 5 HEBDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[N@@H+]1C ZINC000742303636 1076812768 /nfs/dbraw/zinc/81/27/68/1076812768.db2.gz LEKSFRBAJGMNES-QWRGUYRKSA-N 1 0 406.302 2.461 20 5 HEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742345343 1076831713 /nfs/dbraw/zinc/83/17/13/1076831713.db2.gz QHWBZENUKHQWPQ-GFCCVEGCSA-N 1 0 406.302 2.462 20 5 HEBDRO COc1cccc2cc(C[NH2+]CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)oc21 ZINC000742697251 1076867877 /nfs/dbraw/zinc/86/78/77/1076867877.db2.gz YCHAOADNKFHUPE-UHFFFAOYSA-N 1 0 405.432 2.418 20 5 HEBDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000744394324 1077374131 /nfs/dbraw/zinc/37/41/31/1077374131.db2.gz HRMWLIYYLBPIPZ-KZNAEPCWSA-N 1 0 423.514 2.406 20 5 HEBDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cn1 ZINC000766956373 1079521059 /nfs/dbraw/zinc/52/10/59/1079521059.db2.gz IDGPQMLUIZEZBO-YJBOKZPZSA-N 1 0 415.450 2.214 20 5 HEBDRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000771774245 1079527616 /nfs/dbraw/zinc/52/76/16/1079527616.db2.gz QPAPCTQJPBJGNH-AWEZNQCLSA-N 1 0 403.476 2.164 20 5 HEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766949273 1079542551 /nfs/dbraw/zinc/54/25/51/1079542551.db2.gz HKAGOUPZRQQFAX-CRAIPNDOSA-N 1 0 417.466 2.254 20 5 HEBDRO C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1n1ccnc1 ZINC000767432429 1079861000 /nfs/dbraw/zinc/86/10/00/1079861000.db2.gz FVDVHNNSRIVVOD-FXAWDEMLSA-N 1 0 412.494 2.023 20 5 HEBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1n1ccnc1 ZINC000767432453 1079861045 /nfs/dbraw/zinc/86/10/45/1079861045.db2.gz FVDVHNNSRIVVOD-XLIONFOSSA-N 1 0 412.494 2.023 20 5 HEBDRO O=c1c(Cl)c(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000785798365 1080268426 /nfs/dbraw/zinc/26/84/26/1080268426.db2.gz DEMARVGMXSMKMM-GJZGRUSLSA-N 1 0 405.842 2.069 20 5 HEBDRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768713721 1080729845 /nfs/dbraw/zinc/72/98/45/1080729845.db2.gz ZGBPAJDBVUKYQB-UHFFFAOYSA-N 1 0 418.885 2.370 20 5 HEBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000786766808 1080809105 /nfs/dbraw/zinc/80/91/05/1080809105.db2.gz UEFFKCUNZKBVLP-SFHVURJKSA-N 1 0 404.467 2.011 20 5 HEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000786800288 1080833986 /nfs/dbraw/zinc/83/39/86/1080833986.db2.gz QEXWPQYHIWBMBS-UHFFFAOYSA-N 1 0 411.524 2.327 20 5 HEBDRO Cc1c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000769319211 1081041564 /nfs/dbraw/zinc/04/15/64/1081041564.db2.gz WRIPDGJCMNPJCR-FUHWJXTLSA-N 1 0 406.439 2.309 20 5 HEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000769451120 1081083669 /nfs/dbraw/zinc/08/36/69/1081083669.db2.gz JFPCAQYWIYFGID-YPMHNXCESA-N 1 0 418.313 2.462 20 5 HEBDRO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000769632295 1081149569 /nfs/dbraw/zinc/14/95/69/1081149569.db2.gz SEBKGCOBLABLHM-BTFYYFJDSA-N 1 0 409.487 2.062 20 5 HEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164814463 720141583 /nfs/dbraw/zinc/14/15/83/720141583.db2.gz SXFLPOJQPOPEIN-IIBYNOLFSA-N 1 0 418.494 2.351 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001164818575 720302500 /nfs/dbraw/zinc/30/25/00/720302500.db2.gz AKWFJHYAORKWPW-PMACEKPBSA-N 1 0 424.505 2.450 20 5 HEBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])CC[C@@H]21 ZINC001164835425 720565831 /nfs/dbraw/zinc/56/58/31/720565831.db2.gz HIIURPLXLTUBGF-PVAVHDDUSA-N 1 0 420.901 2.456 20 5 HEBDRO COc1cc2ncnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2cc1[N+](=O)[O-] ZINC001164730371 720566626 /nfs/dbraw/zinc/56/66/26/720566626.db2.gz VCAGDVCBKLPUJO-UHFFFAOYSA-N 1 0 423.477 2.402 20 5 HEBDRO CN(C)/C=C\c1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)ncc1[N+](=O)[O-] ZINC001164736302 720578533 /nfs/dbraw/zinc/57/85/33/720578533.db2.gz HKSGGSABPIUCHO-UITAMQMPSA-N 1 0 411.510 2.377 20 5 HEBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164739880 720755464 /nfs/dbraw/zinc/75/54/64/720755464.db2.gz JFHJFGTZRNBQMC-ROUUACIJSA-N 1 0 419.445 2.184 20 5 HEBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164747495 720835327 /nfs/dbraw/zinc/83/53/27/720835327.db2.gz QXVWMFCLLDEDOU-JFIYKMOQSA-N 1 0 422.493 2.442 20 5 HEBDRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@@H]2C1 ZINC001164852552 720843440 /nfs/dbraw/zinc/84/34/40/720843440.db2.gz KUDUTIXRUFQTGK-OCCSQVGLSA-N 1 0 420.844 2.362 20 5 HEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164765053 721099373 /nfs/dbraw/zinc/09/93/73/721099373.db2.gz IHJNOBVCHZPDGN-NEPJUHHUSA-N 1 0 412.281 2.383 20 5 HEBDRO CN(C)/C=C\c1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164871496 721138632 /nfs/dbraw/zinc/13/86/32/721138632.db2.gz DYXAYBAOFINKPQ-USTPLXNYSA-N 1 0 424.505 2.397 20 5 HEBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c21 ZINC001164873581 721177781 /nfs/dbraw/zinc/17/77/81/721177781.db2.gz IRZTWLSRZHRXMW-IAGOWNOFSA-N 1 0 406.446 2.413 20 5 HEBDRO CN(C)/C=C\c1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164769497 721191800 /nfs/dbraw/zinc/19/18/00/721191800.db2.gz MNZVUAZLENQURM-WDSNSIQLSA-N 1 0 411.510 2.214 20 5 HEBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])cc(Cl)n4)C3)O2)CC1 ZINC001164893627 721382232 /nfs/dbraw/zinc/38/22/32/721382232.db2.gz WFUALQAHCHXXRM-VQIMIIECSA-N 1 0 409.918 2.409 20 5 HEBDRO Cc1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164794160 721510462 /nfs/dbraw/zinc/51/04/62/721510462.db2.gz IFIAGAYIWZTBEG-UHFFFAOYSA-N 1 0 421.505 2.416 20 5 HEBDRO CC(C)Oc1nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)ccc1[N+](=O)[O-] ZINC001165011551 721746622 /nfs/dbraw/zinc/74/66/22/721746622.db2.gz YWLHLLRRUNHNFD-UHFFFAOYSA-N 1 0 405.499 2.300 20 5 HEBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164932295 721885829 /nfs/dbraw/zinc/88/58/29/721885829.db2.gz IHHHXSVUVHDNCT-QZTJIDSGSA-N 1 0 400.458 2.406 20 5 HEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000769692705 1078522145 /nfs/dbraw/zinc/52/21/45/1078522145.db2.gz SEATYKKLECTISH-QGZVFWFLSA-N 1 0 424.505 2.246 20 5 HEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)C1 ZINC000769758172 1078542947 /nfs/dbraw/zinc/54/29/47/1078542947.db2.gz UBNDXXJSHLQJKU-JKIFEVAISA-N 1 0 404.442 2.030 20 5 HEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)C1 ZINC000769758169 1078543189 /nfs/dbraw/zinc/54/31/89/1078543189.db2.gz UBNDXXJSHLQJKU-JJRVBVJISA-N 1 0 404.442 2.030 20 5 HEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000769905461 1078626491 /nfs/dbraw/zinc/62/64/91/1078626491.db2.gz DYXJZXSWONQMID-UHFFFAOYSA-N 1 0 405.904 2.288 20 5 HEBDRO CCN(CC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)C(=O)OC(C)(C)C ZINC000745946638 1078704754 /nfs/dbraw/zinc/70/47/54/1078704754.db2.gz WKKFUKPMHKACRI-KRWDZBQOSA-N 1 0 411.503 2.121 20 5 HEBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000766339078 1078768761 /nfs/dbraw/zinc/76/87/61/1078768761.db2.gz JSOONIILVPUGCU-GOSISDBHSA-N 1 0 409.446 2.314 20 5 HEBDRO C[C@H](CCN1CC[NH+](C)CC1)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000770223772 1078773185 /nfs/dbraw/zinc/77/31/85/1078773185.db2.gz RLURPCKGXBXZHH-GFCCVEGCSA-N 1 0 424.445 2.326 20 5 HEBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000746276429 1078842047 /nfs/dbraw/zinc/84/20/47/1078842047.db2.gz XZSKNZOBDDAFIM-HNNXBMFYSA-N 1 0 407.467 2.279 20 5 HEBDRO CCC[C@@H]1CN(Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)CC[N@@H+]1CCOC ZINC000766382339 1078932671 /nfs/dbraw/zinc/93/26/71/1078932671.db2.gz VAWIOFSNYDEZBX-GOSISDBHSA-N 1 0 417.510 2.246 20 5 HEBDRO C[C@@](CO)([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000746471835 1079036559 /nfs/dbraw/zinc/03/65/59/1079036559.db2.gz NKFROONMJYIOOS-NRFANRHFSA-N 1 0 404.511 2.164 20 5 HEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1 ZINC001169032958 1079104300 /nfs/dbraw/zinc/10/43/00/1079104300.db2.gz AFOOGHNWDXKVNT-SJLPKXTDSA-N 1 0 418.519 2.377 20 5 HEBDRO O=C1[C@@H]2CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001169030349 1079102927 /nfs/dbraw/zinc/10/29/27/1079102927.db2.gz YYKZCGSIMJDKAW-MDNKFWRPSA-N 1 0 405.470 2.320 20 5 HEBDRO COC(=O)c1cc2c(nc1N(CC1CC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC[NH2+]CC2 ZINC001169020155 1079111083 /nfs/dbraw/zinc/11/10/83/1079111083.db2.gz JZHHAMUQQHZIOI-DOTOQJQBSA-N 1 0 402.495 2.218 20 5 HEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)C1 ZINC001169025279 1079112967 /nfs/dbraw/zinc/11/29/67/1079112967.db2.gz YKQIXNYDNGSVQA-DOIPELPJSA-N 1 0 421.563 2.401 20 5 HEBDRO [NH3+][C@@H](CO)Cc1cncn1-c1cnc(Cl)nc1Sc1ccc([N+](=O)[O-])cc1 ZINC001169071421 1079124148 /nfs/dbraw/zinc/12/41/48/1079124148.db2.gz CMHSESPGTQRVEP-SNVBAGLBSA-N 1 0 406.855 2.237 20 5 HEBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001169537846 1079325682 /nfs/dbraw/zinc/32/56/82/1079325682.db2.gz BROMWJBXIYUKLZ-HNAYVOBHSA-N 1 0 421.461 2.211 20 5 HEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000771509770 1079365937 /nfs/dbraw/zinc/36/59/37/1079365937.db2.gz LFMRQXDYJCFGID-GXTWGEPZSA-N 1 0 407.496 2.466 20 5 HEBDRO COc1ccc(NC(=O)CC[NH2+][C@]2(CO)CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC001169698160 1079366478 /nfs/dbraw/zinc/36/64/78/1079366478.db2.gz QMYVYJQOUXFPJP-FQEVSTJZSA-N 1 0 401.419 2.192 20 5 HEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H](CC(N)=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001169942605 1079483719 /nfs/dbraw/zinc/48/37/19/1079483719.db2.gz OMVMCDAOJZLEIO-QGZVFWFLSA-N 1 0 400.435 2.481 20 5 HEBDRO O=C1CN(CN2CCC[C@@H]2C[NH+]2CCCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000738098556 1075960963 /nfs/dbraw/zinc/96/09/63/1075960963.db2.gz XUDGGEZGCSKHCN-GOSISDBHSA-N 1 0 401.467 2.271 20 5 HEBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[C@@H]([NH+]3CCCC3)CC2)C1=O ZINC000738269065 1075977682 /nfs/dbraw/zinc/97/76/82/1075977682.db2.gz HRHROWHWGRYSIQ-DYESRHJHSA-N 1 0 415.494 2.270 20 5 HEBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)Cc2ccccc2C1 ZINC000741603639 1076562535 /nfs/dbraw/zinc/56/25/35/1076562535.db2.gz NNQQQTKHNPTAQE-UHFFFAOYSA-N 1 0 424.501 2.260 20 5 HEBDRO CN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000741625818 1076570539 /nfs/dbraw/zinc/57/05/39/1076570539.db2.gz SUQNUMRGSCEXRS-NSHDSACASA-N 1 0 403.220 2.366 20 5 HEBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000742277021 1076808466 /nfs/dbraw/zinc/80/84/66/1076808466.db2.gz IVSNCOQXOAIBJJ-STQMWFEESA-N 1 0 404.286 2.262 20 5 HEBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000742289721 1076817971 /nfs/dbraw/zinc/81/79/71/1076817971.db2.gz LJMLXVXOBDABRE-LBPRGKRZSA-N 1 0 404.286 2.216 20 5 HEBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000742430077 1076839436 /nfs/dbraw/zinc/83/94/36/1076839436.db2.gz NKRMRRUCXNOJFC-MRXNPFEDSA-N 1 0 404.492 2.201 20 5 HEBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000744801896 1077598413 /nfs/dbraw/zinc/59/84/13/1077598413.db2.gz QHFQZNCRICCPGE-JTQLQIEISA-N 1 0 403.220 2.271 20 5 HEBDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)CC1=O ZINC000785640279 1080085846 /nfs/dbraw/zinc/08/58/46/1080085846.db2.gz GJJWQXGXMQQXOS-UKRRQHHQSA-N 1 0 416.434 2.112 20 5 HEBDRO O=c1c(Cl)c(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000785798364 1080268271 /nfs/dbraw/zinc/26/82/71/1080268271.db2.gz DEMARVGMXSMKMM-CABCVRRESA-N 1 0 405.842 2.069 20 5 HEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000746566329 1080301179 /nfs/dbraw/zinc/30/11/79/1080301179.db2.gz DKZLUTWQXPNFTI-SFHVURJKSA-N 1 0 420.510 2.004 20 5 HEBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000786096483 1080391202 /nfs/dbraw/zinc/39/12/02/1080391202.db2.gz BNXSSGSBVNTFGE-UHFFFAOYSA-N 1 0 417.462 2.062 20 5 HEBDRO C[NH+]1CCC(n2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)CC1 ZINC000786194273 1080467496 /nfs/dbraw/zinc/46/74/96/1080467496.db2.gz HQDKYPLYLOYZSO-UHFFFAOYSA-N 1 0 414.466 2.147 20 5 HEBDRO CCOC(=O)C1CC[NH+](C2CCN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])CC2)CC1 ZINC001164616338 719028675 /nfs/dbraw/zinc/02/86/75/719028675.db2.gz BBBIGSFWHYMDLT-UHFFFAOYSA-N 1 0 412.874 2.126 20 5 HEBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001164718594 720125556 /nfs/dbraw/zinc/12/55/56/720125556.db2.gz SYPBVOHGEKRLGH-KRWDZBQOSA-N 1 0 412.494 2.475 20 5 HEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@@H]2C1 ZINC001164850950 720845642 /nfs/dbraw/zinc/84/56/42/720845642.db2.gz FVIGPFRGBIIBKX-DYVFJYSZSA-N 1 0 421.885 2.365 20 5 HEBDRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@H]2C1 ZINC001164851498 720847744 /nfs/dbraw/zinc/84/77/44/720847744.db2.gz HUVOZFUJKDATCC-WFASDCNBSA-N 1 0 420.844 2.362 20 5 HEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)CC[C@@H]2C1 ZINC001164861704 720881277 /nfs/dbraw/zinc/88/12/77/720881277.db2.gz QASFFFHHKOCDCQ-UZLBHIALSA-N 1 0 413.478 2.225 20 5 HEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164855576 720930631 /nfs/dbraw/zinc/93/06/31/720930631.db2.gz IROGPBKBNGDOPG-ZDUSSCGKSA-N 1 0 402.455 2.394 20 5 HEBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865759 721081003 /nfs/dbraw/zinc/08/10/03/721081003.db2.gz PHARZTXLMPHNGJ-QZTJIDSGSA-N 1 0 406.446 2.413 20 5 HEBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc(Cl)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164894497 721383299 /nfs/dbraw/zinc/38/32/99/721383299.db2.gz YJYZUUZDADESFL-VQIMIIECSA-N 1 0 409.918 2.409 20 5 HEBDRO COc1cc(C)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164886604 721406709 /nfs/dbraw/zinc/40/67/09/721406709.db2.gz KHEIKKROCKOCGX-DYESRHJHSA-N 1 0 419.526 2.072 20 5 HEBDRO COC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164904725 721539386 /nfs/dbraw/zinc/53/93/86/721539386.db2.gz GEKHYKAVSSVXNZ-GDBMZVCRSA-N 1 0 416.409 2.257 20 5 HEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164904008 721543016 /nfs/dbraw/zinc/54/30/16/721543016.db2.gz FCJSCFCMFFQPNN-HOCLYGCPSA-N 1 0 408.817 2.363 20 5 HEBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164984380 722108022 /nfs/dbraw/zinc/10/80/22/722108022.db2.gz SYIIHAVJTBUPPC-MAUKXSAKSA-N 1 0 414.422 2.020 20 5 HEBDRO CC(C)Oc1nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ccc1[N+](=O)[O-] ZINC001165004275 722257041 /nfs/dbraw/zinc/25/70/41/722257041.db2.gz PLAYDIHXYGWRDD-UHFFFAOYSA-N 1 0 418.498 2.462 20 5 HEBDRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3cccc([N+](=O)[O-])c31)CCC2 ZINC001165004379 722257611 /nfs/dbraw/zinc/25/76/11/722257611.db2.gz QQCYGVXMCXOIEA-UHFFFAOYSA-N 1 0 411.466 2.223 20 5 HEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000769899542 1078621004 /nfs/dbraw/zinc/62/10/04/1078621004.db2.gz YRDLOOPYACWULT-UHFFFAOYSA-N 1 0 417.915 2.480 20 5 HEBDRO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000770221463 1078772532 /nfs/dbraw/zinc/77/25/32/1078772532.db2.gz CHQCDGHJNQWXNE-LBPRGKRZSA-N 1 0 406.455 2.029 20 5 HEBDRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746094864 1078783935 /nfs/dbraw/zinc/78/39/35/1078783935.db2.gz GVVQPRYRPFVGGM-UHFFFAOYSA-N 1 0 423.517 2.456 20 5 HEBDRO Cc1cccc(CN2CCO[C@H]3C[N@@H+]([C@H]4CC[C@@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)c1 ZINC001169027445 1079102284 /nfs/dbraw/zinc/10/22/84/1079102284.db2.gz PRVUUCNXVILYDF-MHTWAQMVSA-N 1 0 401.507 2.490 20 5 HEBDRO O=C1[C@@H]2CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001169030350 1079102959 /nfs/dbraw/zinc/10/29/59/1079102959.db2.gz YYKZCGSIMJDKAW-NBYUQASBSA-N 1 0 405.470 2.320 20 5 HEBDRO COC(=O)c1cc2c(nc1N(CC1CC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC[NH2+]CC2 ZINC001169020162 1079111175 /nfs/dbraw/zinc/11/11/75/1079111175.db2.gz JZHHAMUQQHZIOI-WBVHZDCISA-N 1 0 402.495 2.218 20 5 HEBDRO O=C(NC[C@@H]1CCC[C@]2(CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)O1)c1cscn1 ZINC001169025785 1079113108 /nfs/dbraw/zinc/11/31/08/1079113108.db2.gz UXPCXWLTRHWXCK-CYJAXWMASA-N 1 0 408.524 2.332 20 5 HEBDRO CC(C)[NH+]1CCC(N2CCN(Cn3cc(Br)c([N+](=O)[O-])n3)CC2)CC1 ZINC000771172472 1079208242 /nfs/dbraw/zinc/20/82/42/1079208242.db2.gz CFVBMWFWPQLMPE-UHFFFAOYSA-N 1 0 415.336 2.002 20 5 HEBDRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)CC2)CC1 ZINC000771511203 1079366364 /nfs/dbraw/zinc/36/63/64/1079366364.db2.gz OYWHWGOUEVVXPW-UHFFFAOYSA-N 1 0 403.527 2.291 20 5 HEBDRO O=[N+]([O-])c1cn(CN2CCC(CC[NH+]3CCOCC3)CC2)nc1-c1ccncc1 ZINC000742149397 1076765482 /nfs/dbraw/zinc/76/54/82/1076765482.db2.gz IWQGFRSAVKOTTK-UHFFFAOYSA-N 1 0 400.483 2.245 20 5 HEBDRO COc1ccc(OCC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c([N+](=O)[O-])c1 ZINC000744408425 1077383361 /nfs/dbraw/zinc/38/33/61/1077383361.db2.gz ZWROEGNJOGQRSJ-ZDUSSCGKSA-N 1 0 403.395 2.472 20 5 HEBDRO NS(=O)(=O)c1ccc(CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000744421881 1077385569 /nfs/dbraw/zinc/38/55/69/1077385569.db2.gz SQRQNUSFDDEYDZ-UHFFFAOYSA-N 1 0 405.476 2.328 20 5 HEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766962219 1079557920 /nfs/dbraw/zinc/55/79/20/1079557920.db2.gz RYAIWYMTLWFGBD-MAUKXSAKSA-N 1 0 417.466 2.254 20 5 HEBDRO COc1ccc(OCC[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c([N+](=O)[O-])c1 ZINC000772350739 1079811287 /nfs/dbraw/zinc/81/12/87/1079811287.db2.gz HZSMAGLADRDKOD-UHFFFAOYSA-N 1 0 416.434 2.020 20 5 HEBDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCc2cc(OC)c(F)cc2[N+](=O)[O-])CC1=O ZINC000785651950 1080106517 /nfs/dbraw/zinc/10/65/17/1080106517.db2.gz WKOQVQZCHADKQA-UKRRQHHQSA-N 1 0 423.441 2.119 20 5 HEBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000786097593 1080392725 /nfs/dbraw/zinc/39/27/25/1080392725.db2.gz LHOABNDESVTOSL-GOSISDBHSA-N 1 0 417.462 2.278 20 5 HEBDRO C[N@H+](CCOC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Cc1ccc(F)cc1 ZINC000769035074 1080891132 /nfs/dbraw/zinc/89/11/32/1080891132.db2.gz KPUXKUMEZCGPRG-UHFFFAOYSA-N 1 0 415.377 2.005 20 5 HEBDRO Cc1c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000769319210 1081041384 /nfs/dbraw/zinc/04/13/84/1081041384.db2.gz WRIPDGJCMNPJCR-AEFFLSMTSA-N 1 0 406.439 2.309 20 5 HEBDRO [NH3+]CCN(c1c(Cl)nccc1[N+](=O)[O-])S(=O)(=O)c1cccc2cnccc21 ZINC001170070923 1081072077 /nfs/dbraw/zinc/07/20/77/1081072077.db2.gz KEYVXGVDEGRVBY-UHFFFAOYSA-N 1 0 407.839 2.345 20 5 HEBDRO CCOc1cnc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c([N+](=O)[O-])c1 ZINC001170071386 1081104165 /nfs/dbraw/zinc/10/41/65/1081104165.db2.gz SMMQANXNKKRYIS-UHFFFAOYSA-N 1 0 417.447 2.091 20 5 HEBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164399907 718844271 /nfs/dbraw/zinc/84/42/71/718844271.db2.gz JOZAUEHBNOZDRM-AWEZNQCLSA-N 1 0 424.839 2.344 20 5 HEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164814462 720142717 /nfs/dbraw/zinc/14/27/17/720142717.db2.gz SXFLPOJQPOPEIN-IERDGZPVSA-N 1 0 418.494 2.351 20 5 HEBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])CC[C@@H]21 ZINC001164840222 720551398 /nfs/dbraw/zinc/55/13/98/720551398.db2.gz SGIKNCXKGJTVTQ-PMPSAXMXSA-N 1 0 420.901 2.456 20 5 HEBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740060 720661336 /nfs/dbraw/zinc/66/13/36/720661336.db2.gz PLFNSCWXJBVNDM-QWRGUYRKSA-N 1 0 411.249 2.429 20 5 HEBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164739879 720755774 /nfs/dbraw/zinc/75/57/74/720755774.db2.gz JFHJFGTZRNBQMC-QZTJIDSGSA-N 1 0 419.445 2.184 20 5 HEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@@H]2C1 ZINC001164850949 720845618 /nfs/dbraw/zinc/84/56/18/720845618.db2.gz FVIGPFRGBIIBKX-CXAGYDPISA-N 1 0 421.885 2.365 20 5 HEBDRO COC(=O)c1ccnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-] ZINC001164862798 720969941 /nfs/dbraw/zinc/96/99/41/720969941.db2.gz UQQMIOGYVKSTCY-ZDUSSCGKSA-N 1 0 402.455 2.394 20 5 HEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164863607 721021585 /nfs/dbraw/zinc/02/15/85/721021585.db2.gz UMJPUZCHPYIXRB-ZDUSSCGKSA-N 1 0 402.455 2.394 20 5 HEBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)ncc4[N+](=O)[O-])C3)O2)CC1 ZINC001164888505 721391264 /nfs/dbraw/zinc/39/12/64/721391264.db2.gz JOJBNFHFHKBQFS-KXBFYZLASA-N 1 0 409.918 2.409 20 5 HEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164888193 721417438 /nfs/dbraw/zinc/41/74/38/721417438.db2.gz NLWKFCRAHYASRQ-GHTZIAJQSA-N 1 0 403.527 2.372 20 5 HEBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)ncc1[N+](=O)[O-])CC2 ZINC001164789894 721458397 /nfs/dbraw/zinc/45/83/97/721458397.db2.gz YFLYTTQSSAGCTO-SFHVURJKSA-N 1 0 419.526 2.427 20 5 HEBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000770173635 1078769181 /nfs/dbraw/zinc/76/91/81/1078769181.db2.gz PWIUUSBWMSUCBJ-QGZVFWFLSA-N 1 0 403.527 2.341 20 5 HEBDRO C[NH+](C)[C@H]1Cc2ccccc2N(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000766339080 1078768928 /nfs/dbraw/zinc/76/89/28/1078768928.db2.gz JSOONIILVPUGCU-SFHVURJKSA-N 1 0 409.446 2.314 20 5 HEBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000746296048 1078844942 /nfs/dbraw/zinc/84/49/42/1078844942.db2.gz IVKAPIREEWFBTP-YOEHRIQHSA-N 1 0 417.462 2.270 20 5 HEBDRO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccccc1)[NH+](C)C ZINC000746429928 1078944011 /nfs/dbraw/zinc/94/40/11/1078944011.db2.gz ODZBFKSPZCWIPA-KRWDZBQOSA-N 1 0 408.480 2.492 20 5 HEBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)C[C@@]2(C)C1 ZINC001168929158 1079088131 /nfs/dbraw/zinc/08/81/31/1079088131.db2.gz GDVYLVXDQWGFKC-QZTJIDSGSA-N 1 0 402.480 2.278 20 5 HEBDRO Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001294 1079095978 /nfs/dbraw/zinc/09/59/78/1079095978.db2.gz FKBFFVJHSBUQGX-CVEARBPZSA-N 1 0 414.528 2.389 20 5 HEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCc2ccccc2)C1 ZINC001168987042 1079101441 /nfs/dbraw/zinc/10/14/41/1079101441.db2.gz HEQKMUKJZFCFCY-SFTDATJTSA-N 1 0 410.511 2.288 20 5 HEBDRO Cc1cccc(CN2CCO[C@H]3C[N@@H+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)c1 ZINC001169027443 1079102351 /nfs/dbraw/zinc/10/23/51/1079102351.db2.gz PRVUUCNXVILYDF-BQJUDKOJSA-N 1 0 401.507 2.490 20 5 HEBDRO CCN1[C@H]2CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169024815 1079113170 /nfs/dbraw/zinc/11/31/70/1079113170.db2.gz QYJNSXNUTBHARG-OWSLCNJRSA-N 1 0 423.535 2.368 20 5 HEBDRO CC(C)N(c1nc2c(cc1C(=O)N(C)C)CC[NH2+]CC2)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026398 1079113631 /nfs/dbraw/zinc/11/36/31/1079113631.db2.gz LQTHRJXMQIHILT-WBVHZDCISA-N 1 0 403.527 2.132 20 5 HEBDRO O=C1COc2cc([N+](=O)[O-])c(NCc3ccccc3C[NH+]3CCC(O)CC3)cc2N1 ZINC000771149295 1079162595 /nfs/dbraw/zinc/16/25/95/1079162595.db2.gz OHHSETIYUCTEEF-UHFFFAOYSA-N 1 0 412.446 2.495 20 5 HEBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000771519822 1079369784 /nfs/dbraw/zinc/36/97/84/1079369784.db2.gz IPTCQGMPRRSDOU-AWEZNQCLSA-N 1 0 405.480 2.317 20 5 HEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000771655629 1079426216 /nfs/dbraw/zinc/42/62/16/1079426216.db2.gz BQLLUGSLZAKBKM-NSHDSACASA-N 1 0 417.279 2.252 20 5 HEBDRO CC[NH+](CC)CC1CCN(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000738071233 1075957992 /nfs/dbraw/zinc/95/79/92/1075957992.db2.gz OTKXFZHWJLNTHI-NRFANRHFSA-N 1 0 417.510 2.373 20 5 HEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1C ZINC000740882060 1076282488 /nfs/dbraw/zinc/28/24/88/1076282488.db2.gz FVDKNDWPHLLDQH-XLIONFOSSA-N 1 0 403.527 2.048 20 5 HEBDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000743843014 1077147701 /nfs/dbraw/zinc/14/77/01/1077147701.db2.gz KMMRDHQYZBOHBS-RYQLBKOJSA-N 1 0 423.514 2.264 20 5 HEBDRO C[NH+]1CCN(c2cccc(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)n2)CC1 ZINC000767174226 1079709320 /nfs/dbraw/zinc/70/93/20/1079709320.db2.gz NZAVTLGHEQXKDX-UHFFFAOYSA-N 1 0 407.434 2.384 20 5 HEBDRO CN(C)c1cc(COC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)ccn1 ZINC000767472394 1079872441 /nfs/dbraw/zinc/87/24/41/1079872441.db2.gz FOWHBBJLFDAOTP-ZDUSSCGKSA-N 1 0 402.382 2.291 20 5 HEBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164399755 718844112 /nfs/dbraw/zinc/84/41/12/718844112.db2.gz FSZMQVXMUNUEAM-CQSZACIVSA-N 1 0 424.839 2.344 20 5 HEBDRO CCOC(=O)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1[N+](=O)[O-] ZINC001164820077 720191727 /nfs/dbraw/zinc/19/17/27/720191727.db2.gz ZJWOVKQTGQUWEK-IIBYNOLFSA-N 1 0 418.494 2.351 20 5 HEBDRO COc1cc(C)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1[N+](=O)[O-] ZINC001164811987 720219893 /nfs/dbraw/zinc/21/98/93/720219893.db2.gz CEZJNFVZJJORBQ-UHFFFAOYSA-N 1 0 416.482 2.114 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001164818884 720299040 /nfs/dbraw/zinc/29/90/40/720299040.db2.gz BISDQGTZBLWYIV-PMACEKPBSA-N 1 0 424.505 2.450 20 5 HEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824576 720301836 /nfs/dbraw/zinc/30/18/36/720301836.db2.gz RRQIEHFNWZYLHL-CABCVRRESA-N 1 0 422.917 2.258 20 5 HEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824577 720302327 /nfs/dbraw/zinc/30/23/27/720302327.db2.gz RRQIEHFNWZYLHL-GJZGRUSLSA-N 1 0 422.917 2.258 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001164833806 720329741 /nfs/dbraw/zinc/32/97/41/720329741.db2.gz XPIIIAHVAQQDKA-IRXDYDNUSA-N 1 0 412.494 2.383 20 5 HEBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164747499 720836083 /nfs/dbraw/zinc/83/60/83/720836083.db2.gz QXVWMFCLLDEDOU-SOLBZPMBSA-N 1 0 422.493 2.442 20 5 HEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)CC[C@@H]2C1 ZINC001164865061 720873532 /nfs/dbraw/zinc/87/35/32/720873532.db2.gz YCWVMJIXUDPLIM-XLIONFOSSA-N 1 0 413.478 2.225 20 5 HEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)CC[C@H]2C1 ZINC001164863024 720891431 /nfs/dbraw/zinc/89/14/31/720891431.db2.gz SJBJNVBFFSDPLF-GUYCJALGSA-N 1 0 421.885 2.365 20 5 HEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)CC[C@H]2C1 ZINC001164863027 720891545 /nfs/dbraw/zinc/89/15/45/720891545.db2.gz SJBJNVBFFSDPLF-SUMWQHHRSA-N 1 0 421.885 2.365 20 5 HEBDRO Cc1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164870069 721046532 /nfs/dbraw/zinc/04/65/32/721046532.db2.gz VPWUKBCSQXRTDT-GJZGRUSLSA-N 1 0 404.858 2.221 20 5 HEBDRO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cnc2c1 ZINC001164868344 721062705 /nfs/dbraw/zinc/06/27/05/721062705.db2.gz NZKJDMSGONYHIR-MSOLQXFVSA-N 1 0 406.446 2.413 20 5 HEBDRO CN(C)/C=C/c1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164871490 721137903 /nfs/dbraw/zinc/13/79/03/721137903.db2.gz DYXAYBAOFINKPQ-CNIPWFDFSA-N 1 0 424.505 2.397 20 5 HEBDRO COc1cc(C)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164886614 721406766 /nfs/dbraw/zinc/40/67/66/721406766.db2.gz KHEIKKROCKOCGX-UWJYYQICSA-N 1 0 419.526 2.072 20 5 HEBDRO COC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164904726 721539138 /nfs/dbraw/zinc/53/91/38/721539138.db2.gz GEKHYKAVSSVXNZ-GOEBONIOSA-N 1 0 416.409 2.257 20 5 HEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164907587 721566746 /nfs/dbraw/zinc/56/67/46/721566746.db2.gz OTSVKSGYKGXQMF-GOEBONIOSA-N 1 0 416.409 2.257 20 5 HEBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164908439 721584296 /nfs/dbraw/zinc/58/42/96/721584296.db2.gz ZGERYYGNYOWJAO-SFHVURJKSA-N 1 0 405.405 2.361 20 5 HEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961479 722057581 /nfs/dbraw/zinc/05/75/81/722057581.db2.gz KSOKWSDZLAONQC-UHFFFAOYSA-N 1 0 413.478 2.051 20 5 HEBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000766333288 1078603508 /nfs/dbraw/zinc/60/35/08/1078603508.db2.gz SMHQXYSHVBPZPK-HZPDHXFCSA-N 1 0 413.496 2.404 20 5 HEBDRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000769906640 1078627071 /nfs/dbraw/zinc/62/70/71/1078627071.db2.gz LXYAJKKIRLLKSQ-ZDUSSCGKSA-N 1 0 418.947 2.109 20 5 HEBDRO C[NH+]1CCN(CCC(C)(C)Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000770226581 1078775252 /nfs/dbraw/zinc/77/52/52/1078775252.db2.gz DBIZESGPLAREEV-UHFFFAOYSA-N 1 0 420.482 2.419 20 5 HEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000746343483 1078867162 /nfs/dbraw/zinc/86/71/62/1078867162.db2.gz DWZVYDXTUVISSD-KRWDZBQOSA-N 1 0 402.495 2.235 20 5 HEBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000766364258 1078920364 /nfs/dbraw/zinc/92/03/64/1078920364.db2.gz DQMMANIGTKTHAD-UHFFFAOYSA-N 1 0 405.451 2.272 20 5 HEBDRO COCC[N@H+](C)CCCC1CCN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000766372581 1078939362 /nfs/dbraw/zinc/93/93/62/1078939362.db2.gz CZSRCSDHKPUVPB-UHFFFAOYSA-N 1 0 418.494 2.219 20 5 HEBDRO CC(C)(C)OC(=O)N1CCOC[C@]2(C[C@H](C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CO2)C1 ZINC001168964681 1079092476 /nfs/dbraw/zinc/09/24/76/1079092476.db2.gz VFZWPLIFQAUOMS-CLWJZODNSA-N 1 0 413.515 2.064 20 5 HEBDRO O=C(Cc1ccccc1)N1CCOC2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169025421 1079113199 /nfs/dbraw/zinc/11/31/99/1079113199.db2.gz ITLWATVGHBYEFX-VQTJNVASSA-N 1 0 401.507 2.368 20 5 HEBDRO COc1ccc(CN2CCO[C@H]3C[N@@H+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)cc1 ZINC001169026676 1079114098 /nfs/dbraw/zinc/11/40/98/1079114098.db2.gz YNLQTNTYKCYIKJ-ZSXPUABSSA-N 1 0 417.506 2.190 20 5 HEBDRO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC001169934286 1079480744 /nfs/dbraw/zinc/48/07/44/1079480744.db2.gz ZKKGNRBAOXYKBA-BEFAXECRSA-N 1 0 409.487 2.189 20 5 HEBDRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000771756890 1079487756 /nfs/dbraw/zinc/48/77/56/1079487756.db2.gz SSLFFINQAIORIL-GOEBONIOSA-N 1 0 417.503 2.458 20 5 HEBDRO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@](C)(O)C[NH+](C)C)cc1Br ZINC000751963962 1076490590 /nfs/dbraw/zinc/49/05/90/1076490590.db2.gz UMTQCIFWTCPAEA-HNNXBMFYSA-N 1 0 404.261 2.259 20 5 HEBDRO O=C(C[N@@H+]1CCCC2(CCOCC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000741801280 1076641538 /nfs/dbraw/zinc/64/15/38/1076641538.db2.gz CWFQIBIEJWLWGT-UHFFFAOYSA-N 1 0 402.495 2.136 20 5 HEBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000742275234 1076808141 /nfs/dbraw/zinc/80/81/41/1076808141.db2.gz LGRIDUGLTQPUMY-JTQLQIEISA-N 1 0 404.286 2.120 20 5 HEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000742345892 1076831834 /nfs/dbraw/zinc/83/18/34/1076831834.db2.gz ATWWPSSIFUGROO-LLVKDONJSA-N 1 0 406.302 2.320 20 5 HEBDRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000742381385 1076832953 /nfs/dbraw/zinc/83/29/53/1076832953.db2.gz XKBHAEKPDACGDN-AWEZNQCLSA-N 1 0 412.899 2.445 20 5 HEBDRO O=C(CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000744407711 1077382599 /nfs/dbraw/zinc/38/25/99/1077382599.db2.gz PTNQPSLOOBFKNN-AWEZNQCLSA-N 1 0 400.395 2.413 20 5 HEBDRO CS[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000767315783 1079814454 /nfs/dbraw/zinc/81/44/54/1079814454.db2.gz SBZNQZXBTTWPGI-STQMWFEESA-N 1 0 424.342 2.023 20 5 HEBDRO CS(=O)(=O)Nc1ccc(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000767753232 1080086794 /nfs/dbraw/zinc/08/67/94/1080086794.db2.gz LMYPGEXZMYWRFZ-UHFFFAOYSA-N 1 0 420.491 2.167 20 5 HEBDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCc2cc(OC)c(F)cc2[N+](=O)[O-])CC1=O ZINC000785651948 1080106963 /nfs/dbraw/zinc/10/69/63/1080106963.db2.gz WKOQVQZCHADKQA-HIFRSBDPSA-N 1 0 423.441 2.119 20 5 HEBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000786766803 1080809032 /nfs/dbraw/zinc/80/90/32/1080809032.db2.gz UEFFKCUNZKBVLP-GOSISDBHSA-N 1 0 404.467 2.011 20 5 HEBDRO CN(C1CC[NH+](CCc2ccccn2)CC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768835246 1080817172 /nfs/dbraw/zinc/81/71/72/1080817172.db2.gz RKHZWQYZHHXHNK-UHFFFAOYSA-N 1 0 410.521 2.379 20 5 HEBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cs1 ZINC000768893088 1080836151 /nfs/dbraw/zinc/83/61/51/1080836151.db2.gz WUEHJMQDQSXXTI-HNNXBMFYSA-N 1 0 411.505 2.092 20 5 HEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000786812355 1080838995 /nfs/dbraw/zinc/83/89/95/1080838995.db2.gz GSMMWYDJFGYBFE-KAMYIIQDSA-N 1 0 420.447 2.474 20 5 HEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000787189191 1081055767 /nfs/dbraw/zinc/05/57/67/1081055767.db2.gz LZFZSZVEVPHOIS-UKRRQHHQSA-N 1 0 402.373 2.276 20 5 HEBDRO CC1(C)OCc2cc(C[NH2+]CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000769493002 1081095142 /nfs/dbraw/zinc/09/51/42/1081095142.db2.gz QWMHSLMLFFXZGI-UHFFFAOYSA-N 1 0 421.475 2.308 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001164820130 720314463 /nfs/dbraw/zinc/31/44/63/720314463.db2.gz GUIDKIKQHFFOTO-UXHICEINSA-N 1 0 424.505 2.450 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001164829391 720350208 /nfs/dbraw/zinc/35/02/08/720350208.db2.gz RYNAMKCWDRVMDG-ROUUACIJSA-N 1 0 424.505 2.450 20 5 HEBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164833723 720545622 /nfs/dbraw/zinc/54/56/22/720545622.db2.gz BGJLHNMDDPCNCJ-YESZJQIVSA-N 1 0 415.498 2.276 20 5 HEBDRO CC(C)[N@H+]1[C@@H]2CCN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840219 720551088 /nfs/dbraw/zinc/55/10/88/720551088.db2.gz SGIKNCXKGJTVTQ-HRCADAONSA-N 1 0 420.901 2.456 20 5 HEBDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835423 720566782 /nfs/dbraw/zinc/56/67/82/720566782.db2.gz HIIURPLXLTUBGF-HYVNUMGLSA-N 1 0 420.901 2.456 20 5 HEBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745459 720811212 /nfs/dbraw/zinc/81/12/12/720811212.db2.gz KLASPUIMARHDRG-RRFJBIMHSA-N 1 0 418.889 2.009 20 5 HEBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164864639 721019858 /nfs/dbraw/zinc/01/98/58/721019858.db2.gz YSCWZGWNCBPSJR-CYBMUJFWSA-N 1 0 416.486 2.270 20 5 HEBDRO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)cnc2c1 ZINC001164868345 721062411 /nfs/dbraw/zinc/06/24/11/721062411.db2.gz NZKJDMSGONYHIR-QZTJIDSGSA-N 1 0 406.446 2.413 20 5 HEBDRO CN(C)/C=C/c1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164871492 721138840 /nfs/dbraw/zinc/13/88/40/721138840.db2.gz DYXAYBAOFINKPQ-IGLJKTCPSA-N 1 0 424.505 2.397 20 5 HEBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc(Cl)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164894492 721383416 /nfs/dbraw/zinc/38/34/16/721383416.db2.gz YJYZUUZDADESFL-APWZRJJASA-N 1 0 409.918 2.409 20 5 HEBDRO CN(CCC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)C(=O)OC(C)(C)C ZINC000769945379 1078648090 /nfs/dbraw/zinc/64/80/90/1078648090.db2.gz HCLUZXCUIGHILA-KRWDZBQOSA-N 1 0 411.503 2.121 20 5 HEBDRO CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011884 1079099001 /nfs/dbraw/zinc/09/90/01/1079099001.db2.gz NDYYPEFYDUKXQK-JSRQGNBESA-N 1 0 411.499 2.305 20 5 HEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1 ZINC001169032959 1079104237 /nfs/dbraw/zinc/10/42/37/1079104237.db2.gz AFOOGHNWDXKVNT-WMZOPIPTSA-N 1 0 418.519 2.377 20 5 HEBDRO COC(=O)c1cc2c(nc1N1CCCC1)CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169019267 1079111118 /nfs/dbraw/zinc/11/11/18/1079111118.db2.gz HCFUUUVKUNSSBL-WBVHZDCISA-N 1 0 402.495 2.314 20 5 HEBDRO CN1CC2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)COc2ccccc2S1(=O)=O ZINC001169022229 1079111661 /nfs/dbraw/zinc/11/16/61/1079111661.db2.gz QXVAVADNORWRMI-SJORKVTESA-N 1 0 423.535 2.227 20 5 HEBDRO CN(C)C(=O)c1cc2c(nc1N(CC1CC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC[NH2+]CC2 ZINC001169024382 1079112602 /nfs/dbraw/zinc/11/26/02/1079112602.db2.gz GWQKXBVPDUTZGY-AEFFLSMTSA-N 1 0 415.538 2.133 20 5 HEBDRO O=C(Cc1ccccc1)N1CCOC2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169025422 1079113161 /nfs/dbraw/zinc/11/31/61/1079113161.db2.gz ITLWATVGHBYEFX-WOJBJXKFSA-N 1 0 401.507 2.368 20 5 HEBDRO O=C1C[C@]2(CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CN1c1ccc2c(c1)OCCO2 ZINC001169026190 1079113552 /nfs/dbraw/zinc/11/35/52/1079113552.db2.gz VRKGTHAGTLIKNG-XFQAVAEZSA-N 1 0 401.463 2.332 20 5 HEBDRO COc1ccc(NC(=O)C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC001169113349 1079160930 /nfs/dbraw/zinc/16/09/30/1079160930.db2.gz UBPQKZFIIIZXHK-OAHLLOKOSA-N 1 0 408.455 2.435 20 5 HEBDRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl ZINC000771560549 1079385884 /nfs/dbraw/zinc/38/58/84/1079385884.db2.gz JUPDHSAHTSEEGQ-UHFFFAOYSA-N 1 0 402.860 2.391 20 5 HEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001169942602 1079483607 /nfs/dbraw/zinc/48/36/07/1079483607.db2.gz OMVMCDAOJZLEIO-KRWDZBQOSA-N 1 0 400.435 2.481 20 5 HEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738327168 1075991045 /nfs/dbraw/zinc/99/10/45/1075991045.db2.gz VRCPQRDDEVDZNR-UHFFFAOYSA-N 1 0 408.499 2.458 20 5 HEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000738513367 1075998921 /nfs/dbraw/zinc/99/89/21/1075998921.db2.gz KJQUEVAAIMHVFW-GASCZTMLSA-N 1 0 419.482 2.442 20 5 HEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000742304424 1076813099 /nfs/dbraw/zinc/81/30/99/1076813099.db2.gz HBJAGMAPOHVGRI-GWCFXTLKSA-N 1 0 406.302 2.318 20 5 HEBDRO CCOc1cc(COC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)ccc1[N+](=O)[O-] ZINC000785645500 1080093696 /nfs/dbraw/zinc/09/36/96/1080093696.db2.gz RNPTYQNVYPPEMV-DLBZAZTESA-N 1 0 419.478 2.370 20 5 HEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000768730471 1080757486 /nfs/dbraw/zinc/75/74/86/1080757486.db2.gz DRGQEKKFICEKKZ-UHFFFAOYSA-N 1 0 400.782 2.084 20 5 HEBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cs1 ZINC000768893090 1080836190 /nfs/dbraw/zinc/83/61/90/1080836190.db2.gz WUEHJMQDQSXXTI-OAHLLOKOSA-N 1 0 411.505 2.092 20 5 HEBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCN3CC[NH2+]C[C@@H]3C2)c(Cl)nn1 ZINC001164399571 718844292 /nfs/dbraw/zinc/84/42/92/718844292.db2.gz AAYSTAWXYMRMHN-GFCCVEGCSA-N 1 0 424.839 2.344 20 5 HEBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3cc([N+](=O)[O-])ccc31)CCC2 ZINC001164814793 720220414 /nfs/dbraw/zinc/22/04/14/720220414.db2.gz ZFTXADCOFNMORQ-UHFFFAOYSA-N 1 0 423.477 2.345 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001164818887 720299216 /nfs/dbraw/zinc/29/92/16/720299216.db2.gz BISDQGTZBLWYIV-WOJBJXKFSA-N 1 0 424.505 2.450 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001164828206 720314040 /nfs/dbraw/zinc/31/40/40/720314040.db2.gz YYDKWHJEXHPMIV-WOJBJXKFSA-N 1 0 424.505 2.450 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001164829387 720350117 /nfs/dbraw/zinc/35/01/17/720350117.db2.gz RYNAMKCWDRVMDG-MSOLQXFVSA-N 1 0 424.505 2.450 20 5 HEBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]21 ZINC001164841111 720524271 /nfs/dbraw/zinc/52/42/71/720524271.db2.gz XNMKKEGLVWAFOG-XIRDDKMYSA-N 1 0 415.454 2.472 20 5 HEBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164833715 720545120 /nfs/dbraw/zinc/54/51/20/720545120.db2.gz BGJLHNMDDPCNCJ-BRWVUGGUSA-N 1 0 415.498 2.276 20 5 HEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164841424 720568803 /nfs/dbraw/zinc/56/88/03/720568803.db2.gz VLHGHGXYIMCFIX-ZHALLVOQSA-N 1 0 400.483 2.111 20 5 HEBDRO O=[N+]([O-])c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2[nH]ccc21 ZINC001164740035 720839912 /nfs/dbraw/zinc/83/99/12/720839912.db2.gz BPJKQWVKHSAHCF-LZLYRXPVSA-N 1 0 422.493 2.442 20 5 HEBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)CC[C@@H]2C1 ZINC001164865062 720873367 /nfs/dbraw/zinc/87/33/67/720873367.db2.gz YCWVMJIXUDPLIM-YLJYHZDGSA-N 1 0 413.478 2.225 20 5 HEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164765060 721098642 /nfs/dbraw/zinc/09/86/42/721098642.db2.gz IHJNOBVCHZPDGN-NWDGAFQWSA-N 1 0 412.281 2.383 20 5 HEBDRO Cc1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164893566 721382435 /nfs/dbraw/zinc/38/24/35/721382435.db2.gz VEVLZQFEIDCVHP-BEFAXECRSA-N 1 0 424.933 2.112 20 5 HEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889822 721392250 /nfs/dbraw/zinc/39/22/50/721392250.db2.gz MNMVTBVZEWURNW-BEFAXECRSA-N 1 0 424.933 2.112 20 5 HEBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc4c(cccc4[N+](=O)[O-])n2)CC3)CC1 ZINC001164794956 721513111 /nfs/dbraw/zinc/51/31/11/721513111.db2.gz ZGTRSKALNPOSRW-UHFFFAOYSA-N 1 0 407.478 2.107 20 5 HEBDRO C[NH+](C)CCOCc1ncn2c1CN(c1cnc3ccc([N+](=O)[O-])cc3n1)CCC2 ZINC001165000220 722251042 /nfs/dbraw/zinc/25/10/42/722251042.db2.gz MHUYZFOEHGHQCD-UHFFFAOYSA-N 1 0 411.466 2.223 20 5 HEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000769899316 1078621120 /nfs/dbraw/zinc/62/11/20/1078621120.db2.gz KFAQESYVXLUCNH-AWEZNQCLSA-N 1 0 417.915 2.478 20 5 HEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000769883583 1078642153 /nfs/dbraw/zinc/64/21/53/1078642153.db2.gz WQFKPPLIWJULMB-KRWDZBQOSA-N 1 0 421.494 2.150 20 5 HEBDRO CCCn1c(=O)cc(Nc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)n(CCC)c1=O ZINC001170012013 1078669012 /nfs/dbraw/zinc/66/90/12/1078669012.db2.gz OAKAJWRTCKBWTK-UHFFFAOYSA-N 1 0 419.482 2.422 20 5 HEBDRO O=C1O[C@@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC001168969440 1079093745 /nfs/dbraw/zinc/09/37/45/1079093745.db2.gz DONNYTABUIUXPV-ZOBUZTSGSA-N 1 0 422.457 2.023 20 5 HEBDRO CCOc1cc([C@@H](CS(C)(=O)=O)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1OC ZINC001168971366 1079094201 /nfs/dbraw/zinc/09/42/01/1079094201.db2.gz JSMGHSONKCDEJE-FVQBIDKESA-N 1 0 400.497 2.215 20 5 HEBDRO Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001297 1079096048 /nfs/dbraw/zinc/09/60/48/1079096048.db2.gz FKBFFVJHSBUQGX-JKSUJKDBSA-N 1 0 414.528 2.389 20 5 HEBDRO CCOC(=O)[C@H]1C[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2N1C(=O)OC(C)(C)C ZINC001169010502 1079098612 /nfs/dbraw/zinc/09/86/12/1079098612.db2.gz CUIDPZFDNGZDMQ-UUAJXVIYSA-N 1 0 411.499 2.305 20 5 HEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)C1 ZINC001169019151 1079111102 /nfs/dbraw/zinc/11/11/02/1079111102.db2.gz DXNZVXNCPQCPQS-WMZOPIPTSA-N 1 0 414.510 2.191 20 5 HEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)C1 ZINC001169019149 1079111182 /nfs/dbraw/zinc/11/11/82/1079111182.db2.gz DXNZVXNCPQCPQS-FUHWJXTLSA-N 1 0 414.510 2.191 20 5 HEBDRO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169022733 1079112016 /nfs/dbraw/zinc/11/20/16/1079112016.db2.gz SIMBYHPYETWRSR-RHSMWYFYSA-N 1 0 413.478 2.115 20 5 HEBDRO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169022734 1079112034 /nfs/dbraw/zinc/11/20/34/1079112034.db2.gz SIMBYHPYETWRSR-WMLDXEAASA-N 1 0 413.478 2.115 20 5 HEBDRO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169022735 1079112094 /nfs/dbraw/zinc/11/20/94/1079112094.db2.gz SIMBYHPYETWRSR-YOEHRIQHSA-N 1 0 413.478 2.115 20 5 HEBDRO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169022732 1079112113 /nfs/dbraw/zinc/11/21/13/1079112113.db2.gz SIMBYHPYETWRSR-PBHICJAKSA-N 1 0 413.478 2.115 20 5 HEBDRO O=C1C[C@]2(CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CN1c1ccc2c(c1)OCCO2 ZINC001169026184 1079113526 /nfs/dbraw/zinc/11/35/26/1079113526.db2.gz VRKGTHAGTLIKNG-MRUHUIDDSA-N 1 0 401.463 2.332 20 5 HEBDRO COC(=O)C(C(=O)OC)c1ncc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC001169142050 1079164155 /nfs/dbraw/zinc/16/41/55/1079164155.db2.gz FOORGTZEVGQVRS-RNODOKPDSA-N 1 0 422.482 2.375 20 5 HEBDRO CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC001169726191 1079379136 /nfs/dbraw/zinc/37/91/36/1079379136.db2.gz OBBCKVYINZRXJC-KRWDZBQOSA-N 1 0 422.551 2.389 20 5 HEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738329183 1075982399 /nfs/dbraw/zinc/98/23/99/1075982399.db2.gz MFSUMSCQCRAVCN-UHFFFAOYSA-N 1 0 408.499 2.458 20 5 HEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1Br ZINC000739977753 1076089824 /nfs/dbraw/zinc/08/98/24/1076089824.db2.gz QTGYPNYJPJGOOI-GFCCVEGCSA-N 1 0 418.313 2.464 20 5 HEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000742011202 1076707058 /nfs/dbraw/zinc/70/70/58/1076707058.db2.gz KRBFXRHQTZUPRM-UHFFFAOYSA-N 1 0 403.527 2.341 20 5 HEBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000742118870 1076747931 /nfs/dbraw/zinc/74/79/31/1076747931.db2.gz QGNDOAPOWUAIIZ-OAHLLOKOSA-N 1 0 405.451 2.129 20 5 HEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742347895 1076832435 /nfs/dbraw/zinc/83/24/35/1076832435.db2.gz ZHMOETBJSUICRO-NSHDSACASA-N 1 0 406.302 2.320 20 5 HEBDRO COc1cccc2cc(C[NH2+]CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)oc21 ZINC000742696606 1076868213 /nfs/dbraw/zinc/86/82/13/1076868213.db2.gz DELGXSVLNHSGOT-UHFFFAOYSA-N 1 0 405.432 2.418 20 5 HEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743594678 1077077766 /nfs/dbraw/zinc/07/77/66/1077077766.db2.gz VYPPTQWLTYGDLD-APWZRJJASA-N 1 0 404.467 2.011 20 5 HEBDRO O=C(CN1CC[C@H](C[NH+]2CCCCC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000744409256 1077383271 /nfs/dbraw/zinc/38/32/71/1077383271.db2.gz NXGLQELKQPUAGQ-LJQANCHMSA-N 1 0 415.538 2.051 20 5 HEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766956717 1079520235 /nfs/dbraw/zinc/52/02/35/1079520235.db2.gz VZNITNRZDNLSDB-BEFAXECRSA-N 1 0 417.466 2.254 20 5 HEBDRO CC[NH+]1CCN(c2ccc(NC(=O)Cn3cc(Cl)cc([N+](=O)[O-])c3=O)cc2)CC1 ZINC000767209225 1079737712 /nfs/dbraw/zinc/73/77/12/1079737712.db2.gz FPLXSKGWOQEYKH-UHFFFAOYSA-N 1 0 419.869 2.191 20 5 HEBDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000767315777 1079814415 /nfs/dbraw/zinc/81/44/15/1079814415.db2.gz SBZNQZXBTTWPGI-CHWSQXEVSA-N 1 0 424.342 2.023 20 5 HEBDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000767315781 1079814490 /nfs/dbraw/zinc/81/44/90/1079814490.db2.gz SBZNQZXBTTWPGI-QWHCGFSZSA-N 1 0 424.342 2.023 20 5 HEBDRO COC(=O)Nc1ccc(S(=O)(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000767637907 1080008830 /nfs/dbraw/zinc/00/88/30/1080008830.db2.gz PVNBNUGNAFSYRD-UHFFFAOYSA-N 1 0 414.484 2.173 20 5 HEBDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)CC1=O ZINC000785640277 1080085770 /nfs/dbraw/zinc/08/57/70/1080085770.db2.gz GJJWQXGXMQQXOS-HIFRSBDPSA-N 1 0 416.434 2.112 20 5 HEBDRO C[N@@H+]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C2(CCCCC2)C1 ZINC000746493266 1080093485 /nfs/dbraw/zinc/09/34/85/1080093485.db2.gz SIPQKPCXSUYICI-UHFFFAOYSA-N 1 0 415.538 2.194 20 5 HEBDRO CCOc1cc(COC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)ccc1[N+](=O)[O-] ZINC000785645512 1080093917 /nfs/dbraw/zinc/09/39/17/1080093917.db2.gz RNPTYQNVYPPEMV-SJORKVTESA-N 1 0 419.478 2.370 20 5 HEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000786812356 1080839012 /nfs/dbraw/zinc/83/90/12/1080839012.db2.gz GSMMWYDJFGYBFE-SDNWHVSQSA-N 1 0 420.447 2.474 20 5 HEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867754 721061139 /nfs/dbraw/zinc/06/11/39/721061139.db2.gz KCXFMFASWXKDEN-CABCVRRESA-N 1 0 404.858 2.221 20 5 HEBDRO COc1cc2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2cc1[N+](=O)[O-] ZINC001164767232 721137908 /nfs/dbraw/zinc/13/79/08/721137908.db2.gz LYUWKNAHIBNLPB-HOTGVXAUSA-N 1 0 423.477 2.238 20 5 HEBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C3)O2)CC1 ZINC001164890765 721424531 /nfs/dbraw/zinc/42/45/31/721424531.db2.gz FGUFFNBEXYQONY-IERDGZPVSA-N 1 0 414.510 2.237 20 5 HEBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C3)O2)CC1 ZINC001164890766 721425431 /nfs/dbraw/zinc/42/54/31/721425431.db2.gz FGUFFNBEXYQONY-IIBYNOLFSA-N 1 0 414.510 2.237 20 5 HEBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164900543 721523623 /nfs/dbraw/zinc/52/36/23/721523623.db2.gz SDZAIYDUYAOOAC-GDBMZVCRSA-N 1 0 403.370 2.379 20 5 HEBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164984382 722107730 /nfs/dbraw/zinc/10/77/30/722107730.db2.gz SYIIHAVJTBUPPC-YJBOKZPZSA-N 1 0 414.422 2.020 20 5 HEBDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000766333284 1078603714 /nfs/dbraw/zinc/60/37/14/1078603714.db2.gz SMHQXYSHVBPZPK-CVEARBPZSA-N 1 0 413.496 2.404 20 5 HEBDRO CC(=O)N1CCN(c2ccc(C(=O)OCCCCC[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000770145124 1078747027 /nfs/dbraw/zinc/74/70/27/1078747027.db2.gz OZAVYIBUIVUVNC-UHFFFAOYSA-N 1 0 406.483 2.152 20 5 HEBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000746044427 1078753369 /nfs/dbraw/zinc/75/33/69/1078753369.db2.gz UVVOKDABPFGIOX-UHFFFAOYSA-N 1 0 424.885 2.290 20 5 HEBDRO O=C1O[C@@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC001168969435 1079093766 /nfs/dbraw/zinc/09/37/66/1079093766.db2.gz DONNYTABUIUXPV-VYDXJSESSA-N 1 0 422.457 2.023 20 5 HEBDRO Cc1cccc(CN2C(=O)COC3(CC[NH+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)CC3)[C@H]2C)n1 ZINC001169010666 1079098566 /nfs/dbraw/zinc/09/85/66/1079098566.db2.gz FHRNGXVDIFHXAQ-QWFCFKBJSA-N 1 0 416.522 2.417 20 5 HEBDRO COC(=O)c1cc2c(nc1N1CCCC1)CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169019266 1079111156 /nfs/dbraw/zinc/11/11/56/1079111156.db2.gz HCFUUUVKUNSSBL-RDJZCZTQSA-N 1 0 402.495 2.314 20 5 HEBDRO O=C(C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC001169024459 1079112999 /nfs/dbraw/zinc/11/29/99/1079112999.db2.gz HDRKFZPHJSGPHU-UNMCSNQZSA-N 1 0 414.550 2.488 20 5 HEBDRO CCN1[C@H]2CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169024814 1079113073 /nfs/dbraw/zinc/11/30/73/1079113073.db2.gz QYJNSXNUTBHARG-MHORFTMASA-N 1 0 423.535 2.368 20 5 HEBDRO COc1ccc(CN2CCO[C@H]3C[N@@H+]([C@H]4CC[C@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)cc1 ZINC001169026674 1079114057 /nfs/dbraw/zinc/11/40/57/1079114057.db2.gz YNLQTNTYKCYIKJ-MMKMLUHNSA-N 1 0 417.506 2.190 20 5 HEBDRO CC(C)[NH+]1CCC(N2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC2)CC1 ZINC000771188807 1079214233 /nfs/dbraw/zinc/21/42/33/1079214233.db2.gz RDLHWRGJNTZTGY-UHFFFAOYSA-N 1 0 401.511 2.474 20 5 HEBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001169525386 1079323188 /nfs/dbraw/zinc/32/31/88/1079323188.db2.gz HBBFSZOHJZUARX-JXFKEZNVSA-N 1 0 410.474 2.351 20 5 HEBDRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000771756891 1079487938 /nfs/dbraw/zinc/48/79/38/1079487938.db2.gz SSLFFINQAIORIL-HOCLYGCPSA-N 1 0 417.503 2.458 20 5 HEBDRO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[C@H]2C[NH+]2CCCCC2)C1=O ZINC000738097032 1075960507 /nfs/dbraw/zinc/96/05/07/1075960507.db2.gz NMPWYICQJGRUDJ-RXVVDRJESA-N 1 0 415.494 2.270 20 5 HEBDRO O=C1CN(CN2CCC[N@@H+](C3CCCC3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000738269491 1075977748 /nfs/dbraw/zinc/97/77/48/1075977748.db2.gz NOLUNONQAJEPNM-UHFFFAOYSA-N 1 0 401.467 2.271 20 5 HEBDRO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CC[C@@H](C[NH+]3CCCCC3)C2)C1=O ZINC000742170980 1076762762 /nfs/dbraw/zinc/76/27/62/1076762762.db2.gz MGSLRFYTVQTHMR-KKSFZXQISA-N 1 0 415.494 2.127 20 5 HEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742303891 1076812915 /nfs/dbraw/zinc/81/29/15/1076812915.db2.gz BTZOHHDQPAEQBD-ZWNOBZJWSA-N 1 0 406.302 2.318 20 5 HEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000742304427 1076813085 /nfs/dbraw/zinc/81/30/85/1076813085.db2.gz HBJAGMAPOHVGRI-ZWNOBZJWSA-N 1 0 406.302 2.318 20 5 HEBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000742293440 1076819875 /nfs/dbraw/zinc/81/98/75/1076819875.db2.gz HGYQMCJILCAHQV-LLVKDONJSA-N 1 0 404.286 2.120 20 5 HEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742347894 1076832281 /nfs/dbraw/zinc/83/22/81/1076832281.db2.gz ZHMOETBJSUICRO-LLVKDONJSA-N 1 0 406.302 2.320 20 5 HEBDRO CS[C@@H]1CC[C@@H](Nc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000742420351 1076836638 /nfs/dbraw/zinc/83/66/38/1076836638.db2.gz BISXTNOETLXPBT-CHWSQXEVSA-N 1 0 402.542 2.131 20 5 HEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743594681 1077077805 /nfs/dbraw/zinc/07/78/05/1077077805.db2.gz VYPPTQWLTYGDLD-LPHOPBHVSA-N 1 0 404.467 2.011 20 5 HEBDRO C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000744402680 1077380893 /nfs/dbraw/zinc/38/08/93/1077380893.db2.gz PNYBJBOPFRVROR-OGWOLHLISA-N 1 0 411.503 2.215 20 5 HEBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000744760575 1077571327 /nfs/dbraw/zinc/57/13/27/1077571327.db2.gz VGYZXVFPGAHDSY-UHFFFAOYSA-N 1 0 401.467 2.048 20 5 HEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766956727 1079520124 /nfs/dbraw/zinc/52/01/24/1079520124.db2.gz VZNITNRZDNLSDB-KXBFYZLASA-N 1 0 417.466 2.254 20 5 HEBDRO C[N@H+](CCOC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Cc1ccc(F)cc1 ZINC000769068434 1080922644 /nfs/dbraw/zinc/92/26/44/1080922644.db2.gz FIKPOHCKXVDFTQ-UHFFFAOYSA-N 1 0 403.366 2.317 20 5 HEBDRO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000769159422 1080977535 /nfs/dbraw/zinc/97/75/35/1080977535.db2.gz BNILWFPWSJRYNA-UHFFFAOYSA-N 1 0 413.316 2.247 20 5 HEBDRO Cc1c(F)cnc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c1[N+](=O)[O-] ZINC001170071161 1081080181 /nfs/dbraw/zinc/08/01/81/1081080181.db2.gz NKKQMAFFVSGYEV-UHFFFAOYSA-N 1 0 405.411 2.140 20 5 HEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000769451074 1081083510 /nfs/dbraw/zinc/08/35/10/1081083510.db2.gz JFPCAQYWIYFGID-DGCLKSJQSA-N 1 0 418.313 2.462 20 5 HEBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc3ccc([N+](=O)[O-])cc3n1)CCC2 ZINC001164814574 720215035 /nfs/dbraw/zinc/21/50/35/720215035.db2.gz UKFNRBKLSHWOEJ-UHFFFAOYSA-N 1 0 423.477 2.345 20 5 HEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824578 720301811 /nfs/dbraw/zinc/30/18/11/720301811.db2.gz RRQIEHFNWZYLHL-HUUCEWRRSA-N 1 0 422.917 2.258 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001164820136 720314243 /nfs/dbraw/zinc/31/42/43/720314243.db2.gz GUIDKIKQHFFOTO-WOJBJXKFSA-N 1 0 424.505 2.450 20 5 HEBDRO CCOc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001164833858 720330355 /nfs/dbraw/zinc/33/03/55/720330355.db2.gz XTJLQFMYKNNSKV-DLBZAZTESA-N 1 0 417.510 2.300 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001164829393 720350173 /nfs/dbraw/zinc/35/01/73/720350173.db2.gz RYNAMKCWDRVMDG-ZWKOTPCHSA-N 1 0 424.505 2.450 20 5 HEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738533 720688408 /nfs/dbraw/zinc/68/84/08/720688408.db2.gz KJSFIVZQHZIYOX-QWRGUYRKSA-N 1 0 411.249 2.429 20 5 HEBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745457 720811080 /nfs/dbraw/zinc/81/10/80/720811080.db2.gz KLASPUIMARHDRG-QLFBSQMISA-N 1 0 418.889 2.009 20 5 HEBDRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@@H]2C1 ZINC001164851492 720847751 /nfs/dbraw/zinc/84/77/51/720847751.db2.gz HUVOZFUJKDATCC-DOMZBBRYSA-N 1 0 420.844 2.362 20 5 HEBDRO Cc1nc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164870075 721046919 /nfs/dbraw/zinc/04/69/19/721046919.db2.gz VPWUKBCSQXRTDT-LSDHHAIUSA-N 1 0 404.858 2.221 20 5 HEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867756 721061297 /nfs/dbraw/zinc/06/12/97/721061297.db2.gz KCXFMFASWXKDEN-HUUCEWRRSA-N 1 0 404.858 2.221 20 5 HEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867755 721061612 /nfs/dbraw/zinc/06/16/12/721061612.db2.gz KCXFMFASWXKDEN-GJZGRUSLSA-N 1 0 404.858 2.221 20 5 HEBDRO CC(C)Oc1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164764071 721213948 /nfs/dbraw/zinc/21/39/48/721213948.db2.gz GCYZUQLJAPOTRJ-IRXDYDNUSA-N 1 0 400.483 2.469 20 5 HEBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])c(C)n1)CC2 ZINC001164786774 721470920 /nfs/dbraw/zinc/47/09/20/721470920.db2.gz CEKXHPNPVWSNRL-SFHVURJKSA-N 1 0 419.526 2.427 20 5 HEBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164900548 721523881 /nfs/dbraw/zinc/52/38/81/721523881.db2.gz SDZAIYDUYAOOAC-HOCLYGCPSA-N 1 0 403.370 2.379 20 5 HEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164984379 722107956 /nfs/dbraw/zinc/10/79/56/722107956.db2.gz SYIIHAVJTBUPPC-CRAIPNDOSA-N 1 0 414.422 2.020 20 5 HEBDRO C[NH+](C)CCOCc1ncn2c1CN(c1cnc3cc([N+](=O)[O-])ccc3n1)CCC2 ZINC001165000211 722251559 /nfs/dbraw/zinc/25/15/59/722251559.db2.gz MCUGPDGRTAGMOT-UHFFFAOYSA-N 1 0 411.466 2.223 20 5 HEBDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000766333286 1078603450 /nfs/dbraw/zinc/60/34/50/1078603450.db2.gz SMHQXYSHVBPZPK-HOTGVXAUSA-N 1 0 413.496 2.404 20 5 HEBDRO COc1cc(C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC001168792079 1078996623 /nfs/dbraw/zinc/99/66/23/1078996623.db2.gz QFPFRUMRRLJTCG-NRFANRHFSA-N 1 0 417.437 2.452 20 5 HEBDRO CCOc1cc([C@H](CS(C)(=O)=O)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1OC ZINC001168971364 1079094065 /nfs/dbraw/zinc/09/40/65/1079094065.db2.gz JSMGHSONKCDEJE-BPUTZDHNSA-N 1 0 400.497 2.215 20 5 HEBDRO CCOC(=O)[C@H]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2N1C(=O)OC(C)(C)C ZINC001169010499 1079098399 /nfs/dbraw/zinc/09/83/99/1079098399.db2.gz CUIDPZFDNGZDMQ-UTSKFRMZSA-N 1 0 411.499 2.305 20 5 HEBDRO CC(C)CN(c1nc2c(cc1C(=O)N(C)C)CC[NH2+]CC2)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011867 1079098965 /nfs/dbraw/zinc/09/89/65/1079098965.db2.gz NAISEILAZOERDW-AEFFLSMTSA-N 1 0 417.554 2.379 20 5 HEBDRO O=C(NCCc1cccs1)[C@H]1C[C@H]2OCC[C@H]2[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169021497 1079111664 /nfs/dbraw/zinc/11/16/64/1079111664.db2.gz OIBNFFXHHJUIOO-WHEVEAIOSA-N 1 0 407.536 2.332 20 5 HEBDRO COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H]1C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169048719 1079115532 /nfs/dbraw/zinc/11/55/32/1079115532.db2.gz AWDHBWUHSRRASI-ROYATCLZSA-N 1 0 411.499 2.306 20 5 HEBDRO O=C(NC[C@@H]1CCC[C@]2(CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)O1)c1cscn1 ZINC001169025788 1079113540 /nfs/dbraw/zinc/11/35/40/1079113540.db2.gz UXPCXWLTRHWXCK-PASDCYSWSA-N 1 0 408.524 2.332 20 5 HEBDRO C[C@@H]1N(Cc2cccnc2)C(=O)COC12CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169026317 1079113609 /nfs/dbraw/zinc/11/36/09/1079113609.db2.gz KTGBCQHNLAPKBK-SCTDSRPQSA-N 1 0 402.495 2.109 20 5 HEBDRO CC(C)N(c1nc2c(cc1C(=O)N(C)C)CC[NH2+]CC2)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026396 1079113645 /nfs/dbraw/zinc/11/36/45/1079113645.db2.gz LQTHRJXMQIHILT-NVXWUHKLSA-N 1 0 403.527 2.132 20 5 HEBDRO COC(=O)COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC001169072894 1079124941 /nfs/dbraw/zinc/12/49/41/1079124941.db2.gz OVMKIQGGIZMYFC-ZDUSSCGKSA-N 1 0 417.418 2.445 20 5 HEBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000771261523 1079252409 /nfs/dbraw/zinc/25/24/09/1079252409.db2.gz STPLBHNKBJFFQM-UHFFFAOYSA-N 1 0 419.507 2.380 20 5 HEBDRO Cc1c(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000771509353 1079366345 /nfs/dbraw/zinc/36/63/45/1079366345.db2.gz FJYSMINGRCHCEL-UHFFFAOYSA-N 1 0 419.482 2.442 20 5 HEBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000771581738 1079380178 /nfs/dbraw/zinc/38/01/78/1079380178.db2.gz LRHMYTUOTIFCBM-GFCCVEGCSA-N 1 0 416.247 2.480 20 5 HEBDRO CN(C)c1ccc(N2CCC(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000741982276 1076702197 /nfs/dbraw/zinc/70/21/97/1076702197.db2.gz NBLZNPMYCPYXIY-UHFFFAOYSA-N 1 0 400.483 2.378 20 5 HEBDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742304045 1076812554 /nfs/dbraw/zinc/81/25/54/1076812554.db2.gz MKKOJRFLTCWHRS-CMPLNLGQSA-N 1 0 406.302 2.461 20 5 HEBDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@@H+]1C ZINC000742304112 1076812608 /nfs/dbraw/zinc/81/26/08/1076812608.db2.gz PCRHQTJEMYNVGR-QWRGUYRKSA-N 1 0 406.302 2.461 20 5 HEBDRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 ZINC000543692157 1076974448 /nfs/dbraw/zinc/97/44/48/1076974448.db2.gz VPCRUTOSKXPPNO-UHFFFAOYSA-N 1 0 403.414 2.347 20 5 HEBDRO C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000744402681 1077380983 /nfs/dbraw/zinc/38/09/83/1077380983.db2.gz PNYBJBOPFRVROR-SIXWZSSISA-N 1 0 411.503 2.215 20 5 HEBDRO CS[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000767315361 1079815059 /nfs/dbraw/zinc/81/50/59/1079815059.db2.gz NRXIUZAJXDQFKF-NWDGAFQWSA-N 1 0 424.342 2.023 20 5 HEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000786811768 1080839444 /nfs/dbraw/zinc/83/94/44/1080839444.db2.gz BVMPAKNLICOTBN-GXDHUFHOSA-N 1 0 420.447 2.474 20 5 HEBDRO O=C(COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000786883432 1080885571 /nfs/dbraw/zinc/88/55/71/1080885571.db2.gz ZWJWSRHSTZEIJP-CQSZACIVSA-N 1 0 405.407 2.212 20 5 HEBDRO CC[NH+](CC)CC(=O)N1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769316661 1081040243 /nfs/dbraw/zinc/04/02/43/1081040243.db2.gz NFBUMDYAFRNIHQ-UHFFFAOYSA-N 1 0 413.316 2.343 20 5 HEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000769451598 1081084608 /nfs/dbraw/zinc/08/46/08/1081084608.db2.gz KKEIVDCCAFPVOJ-SMDDNHRTSA-N 1 0 418.313 2.462 20 5 HEBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769532211 1081111838 /nfs/dbraw/zinc/11/18/38/1081111838.db2.gz IYSLJYYJZVFFKF-MRXNPFEDSA-N 1 0 411.300 2.096 20 5 HEBDRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc(Cl)c2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164684150 719612454 /nfs/dbraw/zinc/61/24/54/719612454.db2.gz MOBLUDRETKPBBG-UHFFFAOYSA-N 1 0 400.270 2.363 20 5 HEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164813385 720214724 /nfs/dbraw/zinc/21/47/24/720214724.db2.gz PBLKCJJFCHJTNA-UHFFFAOYSA-N 1 0 421.889 2.154 20 5 HEBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)CCC2 ZINC001164811931 720228614 /nfs/dbraw/zinc/22/86/14/720228614.db2.gz AZXBLCCNVFRMLF-UHFFFAOYSA-N 1 0 411.466 2.278 20 5 HEBDRO Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164825318 720290688 /nfs/dbraw/zinc/29/06/88/720290688.db2.gz TUFJZWNSQYVXCG-LSDHHAIUSA-N 1 0 422.917 2.258 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001164833798 720329335 /nfs/dbraw/zinc/32/93/35/720329335.db2.gz XPIIIAHVAQQDKA-IAGOWNOFSA-N 1 0 412.494 2.383 20 5 HEBDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835422 720566177 /nfs/dbraw/zinc/56/61/77/720566177.db2.gz HIIURPLXLTUBGF-BHYGNILZSA-N 1 0 420.901 2.456 20 5 HEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740860 720817266 /nfs/dbraw/zinc/81/72/66/720817266.db2.gz LVOCITYVOAHRRO-DJIMGWMZSA-N 1 0 401.446 2.100 20 5 HEBDRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@@H]2C1 ZINC001164852553 720843670 /nfs/dbraw/zinc/84/36/70/720843670.db2.gz KUDUTIXRUFQTGK-TZMCWYRMSA-N 1 0 420.844 2.362 20 5 HEBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164854268 720844791 /nfs/dbraw/zinc/84/47/91/720844791.db2.gz QQYDAMCFQIYUDR-RISCZKNCSA-N 1 0 405.282 2.470 20 5 HEBDRO O=[N+]([O-])c1ccc2ncc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164867531 721057334 /nfs/dbraw/zinc/05/73/34/721057334.db2.gz JNQDSDHRQDQFSN-QZTJIDSGSA-N 1 0 406.446 2.413 20 5 HEBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164867645 721078454 /nfs/dbraw/zinc/07/84/54/721078454.db2.gz YZSBUUJNQUSQRT-ZWKOTPCHSA-N 1 0 406.446 2.413 20 5 HEBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c21 ZINC001164873584 721178276 /nfs/dbraw/zinc/17/82/76/721178276.db2.gz IRZTWLSRZHRXMW-SJORKVTESA-N 1 0 406.446 2.413 20 5 HEBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c21 ZINC001164873580 721178802 /nfs/dbraw/zinc/17/88/02/721178802.db2.gz IRZTWLSRZHRXMW-DLBZAZTESA-N 1 0 406.446 2.413 20 5 HEBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])c(C)n1)CC2 ZINC001164786769 721470886 /nfs/dbraw/zinc/47/08/86/721470886.db2.gz CEKXHPNPVWSNRL-GOSISDBHSA-N 1 0 419.526 2.427 20 5 HEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164928511 721850863 /nfs/dbraw/zinc/85/08/63/721850863.db2.gz NXAHAZQQDRDRJV-UONOGXRCSA-N 1 0 411.890 2.035 20 5 HEBDRO COc1cc(C)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164971420 722112575 /nfs/dbraw/zinc/11/25/75/722112575.db2.gz CKBFMQDRFQBUDM-IEBWSBKVSA-N 1 0 413.478 2.429 20 5 HEBDRO COc1cc(C)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164971423 722112701 /nfs/dbraw/zinc/11/27/01/722112701.db2.gz CKBFMQDRFQBUDM-PKOBYXMFSA-N 1 0 413.478 2.429 20 5 HEBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971942 722121236 /nfs/dbraw/zinc/12/12/36/722121236.db2.gz DXEZIAYTRIAZQW-WBVHZDCISA-N 1 0 419.869 2.004 20 5 HEBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000746276431 1078842103 /nfs/dbraw/zinc/84/21/03/1078842103.db2.gz XZSKNZOBDDAFIM-OAHLLOKOSA-N 1 0 407.467 2.279 20 5 HEBDRO C[NH+](C)[C@H]1Cc2ccccc2N(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000766339179 1078852107 /nfs/dbraw/zinc/85/21/07/1078852107.db2.gz MOBWJMMVUDVFQI-AVRDEDQJSA-N 1 0 423.473 2.312 20 5 HEBDRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000746454801 1078984848 /nfs/dbraw/zinc/98/48/48/1078984848.db2.gz HSMGTFPKSOHHOA-JTSKRJEESA-N 1 0 418.538 2.410 20 5 HEBDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000746454808 1078985450 /nfs/dbraw/zinc/98/54/50/1078985450.db2.gz HSMGTFPKSOHHOA-VGSWGCGISA-N 1 0 418.538 2.410 20 5 HEBDRO CC(C)(C)OC(=O)N1CCOC[C@]2(C[C@H](C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CO2)C1 ZINC001168964684 1079092515 /nfs/dbraw/zinc/09/25/15/1079092515.db2.gz VFZWPLIFQAUOMS-XLSPSMHOSA-N 1 0 413.515 2.064 20 5 HEBDRO CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011883 1079098976 /nfs/dbraw/zinc/09/89/76/1079098976.db2.gz NDYYPEFYDUKXQK-BPKGMFCQSA-N 1 0 411.499 2.305 20 5 HEBDRO COc1cc2ncnc(N3CC[NH+]([C@H]4CC[C@@H](C[N+](=O)[O-])C4)CC3)c2cc1OC ZINC001169034513 1079105275 /nfs/dbraw/zinc/10/52/75/1079105275.db2.gz GWIGLWSZHDPZQZ-CABCVRRESA-N 1 0 401.467 2.214 20 5 HEBDRO O=C(Nc1ccncc1)c1nc2c(s1)CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169021163 1079111623 /nfs/dbraw/zinc/11/16/23/1079111623.db2.gz JWIHKURQNABBQT-UKRRQHHQSA-N 1 0 401.492 2.058 20 5 HEBDRO O=C(Nc1ccncc1)c1nc2c(s1)CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169021166 1079111643 /nfs/dbraw/zinc/11/16/43/1079111643.db2.gz JWIHKURQNABBQT-ZFWWWQNUSA-N 1 0 401.492 2.058 20 5 HEBDRO CC(C)[NH+]1CCC(N2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)CC2)CC1 ZINC000771293501 1079267784 /nfs/dbraw/zinc/26/77/84/1079267784.db2.gz AUXDDWSIFWIDKT-UHFFFAOYSA-N 1 0 408.474 2.130 20 5 HEBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[C@H]([NH+]3CCCC3)CC2)C1=O ZINC000738269068 1075977712 /nfs/dbraw/zinc/97/77/12/1075977712.db2.gz HRHROWHWGRYSIQ-LAUBAEHRSA-N 1 0 415.494 2.270 20 5 HEBDRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000741759125 1076617638 /nfs/dbraw/zinc/61/76/38/1076617638.db2.gz XOSNVFGBZVGZQG-LLVKDONJSA-N 1 0 406.302 2.368 20 5 HEBDRO Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000741943762 1076688055 /nfs/dbraw/zinc/68/80/55/1076688055.db2.gz UPNNXMJXGWKUMO-UHFFFAOYSA-N 1 0 401.379 2.224 20 5 HEBDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@@H+]1C ZINC000742304113 1076812527 /nfs/dbraw/zinc/81/25/27/1076812527.db2.gz PCRHQTJEMYNVGR-WDEREUQCSA-N 1 0 406.302 2.461 20 5 HEBDRO O=[N+]([O-])c1cccc(-c2ncn(CN3CCC(OCC[NH+]4CCCC4)CC3)n2)c1 ZINC000744442358 1077397005 /nfs/dbraw/zinc/39/70/05/1077397005.db2.gz YHSPXQNQDQKFOG-UHFFFAOYSA-N 1 0 400.483 2.388 20 5 HEBDRO CC(C)[NH+]1CCC(NC(=O)COC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000744881383 1077650260 /nfs/dbraw/zinc/65/02/60/1077650260.db2.gz OVQCDEATJULZPF-UHFFFAOYSA-N 1 0 402.451 2.082 20 5 HEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785855764 1080283817 /nfs/dbraw/zinc/28/38/17/1080283817.db2.gz BIEIXPGJLUYOQE-UHFFFAOYSA-N 1 0 416.394 2.335 20 5 HEBDRO COc1ccc(NC(=O)COC(=O)CC2([NH+]3CCOCC3)CCCC2)c([N+](=O)[O-])c1 ZINC000786102031 1080396875 /nfs/dbraw/zinc/39/68/75/1080396875.db2.gz VHKIVMCUKBGCSI-UHFFFAOYSA-N 1 0 421.450 2.120 20 5 HEBDRO COC1CC[NH+](C2(CNS(=O)(=O)c3csc([N+](=O)[O-])c3)CCCC2)CC1 ZINC000768838281 1080819254 /nfs/dbraw/zinc/81/92/54/1080819254.db2.gz RWBTWLJYBMWTHP-UHFFFAOYSA-N 1 0 403.526 2.358 20 5 HEBDRO Cc1c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000769319212 1081041513 /nfs/dbraw/zinc/04/15/13/1081041513.db2.gz WRIPDGJCMNPJCR-SJLPKXTDSA-N 1 0 406.439 2.309 20 5 HEBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)CCC2 ZINC001164814005 720230727 /nfs/dbraw/zinc/23/07/27/720230727.db2.gz SYCTUDQOZHVNOO-UHFFFAOYSA-N 1 0 411.466 2.278 20 5 HEBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3cccc([N+](=O)[O-])c31)CCC2 ZINC001164818396 720243742 /nfs/dbraw/zinc/24/37/42/720243742.db2.gz ZEMANWQVKSKWFO-UHFFFAOYSA-N 1 0 423.477 2.345 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001164829746 720325847 /nfs/dbraw/zinc/32/58/47/720325847.db2.gz NFNKGNZHQLBTFR-IAGOWNOFSA-N 1 0 412.494 2.383 20 5 HEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164841425 720568140 /nfs/dbraw/zinc/56/81/40/720568140.db2.gz VLHGHGXYIMCFIX-ZIFCJYIRSA-N 1 0 400.483 2.111 20 5 HEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(F)c1 ZINC001164745586 720822865 /nfs/dbraw/zinc/82/28/65/720822865.db2.gz WYSSSJWZRCWCCZ-QGPMSJSTSA-N 1 0 401.446 2.100 20 5 HEBDRO O=[N+]([O-])c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2[nH]ccc21 ZINC001164740037 720839493 /nfs/dbraw/zinc/83/94/93/720839493.db2.gz BPJKQWVKHSAHCF-XYJFISCASA-N 1 0 422.493 2.442 20 5 HEBDRO COC(=O)c1ccnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-] ZINC001164862796 720970667 /nfs/dbraw/zinc/97/06/67/720970667.db2.gz UQQMIOGYVKSTCY-CYBMUJFWSA-N 1 0 402.455 2.394 20 5 HEBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164867642 721078698 /nfs/dbraw/zinc/07/86/98/721078698.db2.gz YZSBUUJNQUSQRT-MSOLQXFVSA-N 1 0 406.446 2.413 20 5 HEBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C3)O2)CC1 ZINC001164883649 721420530 /nfs/dbraw/zinc/42/05/30/721420530.db2.gz BPTJPHFHKHFNSI-KKSFZXQISA-N 1 0 414.510 2.237 20 5 HEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900313 721515153 /nfs/dbraw/zinc/51/51/53/721515153.db2.gz QBUZATZXJRHPRR-DOTOQJQBSA-N 1 0 416.409 2.257 20 5 HEBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nccc4cc([N+](=O)[O-])ccc42)CC3)CC1 ZINC001164794713 721522121 /nfs/dbraw/zinc/52/21/21/721522121.db2.gz GWFOAIOMSSIFJV-UHFFFAOYSA-N 1 0 407.478 2.107 20 5 HEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164928509 721850764 /nfs/dbraw/zinc/85/07/64/721850764.db2.gz NXAHAZQQDRDRJV-KBPBESRZSA-N 1 0 411.890 2.035 20 5 HEBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983423 722100522 /nfs/dbraw/zinc/10/05/22/722100522.db2.gz QAPUBGXYWPAGGK-GOEBONIOSA-N 1 0 404.858 2.161 20 5 HEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)C1 ZINC000769758167 1078543135 /nfs/dbraw/zinc/54/31/35/1078543135.db2.gz UBNDXXJSHLQJKU-CKEIUWERSA-N 1 0 404.442 2.030 20 5 HEBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000746296047 1078844862 /nfs/dbraw/zinc/84/48/62/1078844862.db2.gz IVKAPIREEWFBTP-WMLDXEAASA-N 1 0 417.462 2.270 20 5 HEBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000766339180 1078852110 /nfs/dbraw/zinc/85/21/10/1078852110.db2.gz MOBWJMMVUDVFQI-GCJKJVERSA-N 1 0 423.473 2.312 20 5 HEBDRO [NH3+]Cc1cccc(-c2nnn(-c3ncccc3NC(=O)c3ccccc3[N+](=O)[O-])n2)c1 ZINC001168876687 1079065571 /nfs/dbraw/zinc/06/55/71/1079065571.db2.gz IZHCMJDGLVVFDA-UHFFFAOYSA-N 1 0 416.401 2.344 20 5 HEBDRO O=C1O[C@@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC001168969422 1079093808 /nfs/dbraw/zinc/09/38/08/1079093808.db2.gz DONNYTABUIUXPV-INMHGKMJSA-N 1 0 422.457 2.023 20 5 HEBDRO Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001295 1079096120 /nfs/dbraw/zinc/09/61/20/1079096120.db2.gz FKBFFVJHSBUQGX-HOTGVXAUSA-N 1 0 414.528 2.389 20 5 HEBDRO Cc1cccc(CN2CC3(CC[NH+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)CC3)OCC2=O)n1 ZINC001169028993 1079102924 /nfs/dbraw/zinc/10/29/24/1079102924.db2.gz TTWUKFANPDFRFC-PKOBYXMFSA-N 1 0 402.495 2.029 20 5 HEBDRO COC(=O)c1cc2c(nc1N(CC1CC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1)CC[NH2+]CC2 ZINC001169020160 1079111014 /nfs/dbraw/zinc/11/10/14/1079111014.db2.gz JZHHAMUQQHZIOI-RDJZCZTQSA-N 1 0 402.495 2.218 20 5 HEBDRO Cc1nc(CN2CCN(C)C3(CC[NH+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)CC3)C2=O)cs1 ZINC001169021539 1079111593 /nfs/dbraw/zinc/11/15/93/1079111593.db2.gz LJVQVHYHUPDKLP-SJLPKXTDSA-N 1 0 421.567 2.006 20 5 HEBDRO CN(C)C(=O)c1cc2c(nc1N(CC1CC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1)CC[NH2+]CC2 ZINC001169024385 1079113134 /nfs/dbraw/zinc/11/31/34/1079113134.db2.gz GWQKXBVPDUTZGY-WMZOPIPTSA-N 1 0 415.538 2.133 20 5 HEBDRO O=C1C[C@]2(CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CN1c1ccc2c(c1)OCCO2 ZINC001169026193 1079113593 /nfs/dbraw/zinc/11/35/93/1079113593.db2.gz VRKGTHAGTLIKNG-ZOCZFRKYSA-N 1 0 401.463 2.332 20 5 HEBDRO COC(=O)C(C(=O)OC)c1ncc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC001169142052 1079164016 /nfs/dbraw/zinc/16/40/16/1079164016.db2.gz FOORGTZEVGQVRS-ZUOKHONESA-N 1 0 422.482 2.375 20 5 HEBDRO Cc1nn(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000771173936 1079208494 /nfs/dbraw/zinc/20/84/94/1079208494.db2.gz JAYMXVPUOUBHQE-UHFFFAOYSA-N 1 0 401.515 2.096 20 5 HEBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001169537847 1079325790 /nfs/dbraw/zinc/32/57/90/1079325790.db2.gz BROMWJBXIYUKLZ-KXBFYZLASA-N 1 0 421.461 2.211 20 5 HEBDRO Cc1cc(S(=O)(=O)NCc2ccccc2OCC[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000771744037 1079476750 /nfs/dbraw/zinc/47/67/50/1079476750.db2.gz UUEVMGQHYDIFGS-UHFFFAOYSA-N 1 0 411.455 2.461 20 5 HEBDRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 ZINC000771758874 1079489058 /nfs/dbraw/zinc/48/90/58/1079489058.db2.gz QNQBPCQVUFCDJB-UHFFFAOYSA-N 1 0 403.476 2.210 20 5 HEBDRO C[NH+](C)CCOc1ccccc1N1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000737433025 1076493437 /nfs/dbraw/zinc/49/34/37/1076493437.db2.gz CRWBUCDMEWWEBL-UHFFFAOYSA-N 1 0 412.450 2.398 20 5 HEBDRO O=C1CN(CN2CC[C@@H](C[NH+]3CCCCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000742171142 1076763282 /nfs/dbraw/zinc/76/32/82/1076763282.db2.gz OBMHXFUBMSYIDQ-INIZCTEOSA-N 1 0 401.467 2.129 20 5 HEBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000742277020 1076808421 /nfs/dbraw/zinc/80/84/21/1076808421.db2.gz IVSNCOQXOAIBJJ-QWHCGFSZSA-N 1 0 404.286 2.262 20 5 HEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742297050 1076820702 /nfs/dbraw/zinc/82/07/02/1076820702.db2.gz UTWKXIRPIZDXII-LLVKDONJSA-N 1 0 406.302 2.320 20 5 HEBDRO C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000745334880 1077805264 /nfs/dbraw/zinc/80/52/64/1077805264.db2.gz YMOJMSXQWPYEGH-QFBILLFUSA-N 1 0 411.458 2.460 20 5 HEBDRO COC(=O)C1=NOC2(C1)CCN([C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000771783445 1079503769 /nfs/dbraw/zinc/50/37/69/1079503769.db2.gz BLCOHBHUMLJPRA-LLVKDONJSA-N 1 0 424.841 2.359 20 5 HEBDRO Cc1cc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)cc([N+](=O)[O-])c1F ZINC000771768330 1079521730 /nfs/dbraw/zinc/52/17/30/1079521730.db2.gz JBXRYOSVFDCJCP-UHFFFAOYSA-N 1 0 403.476 2.164 20 5 HEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766962223 1079558596 /nfs/dbraw/zinc/55/85/96/1079558596.db2.gz RYAIWYMTLWFGBD-YJBOKZPZSA-N 1 0 417.466 2.254 20 5 HEBDRO Cc1c(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000742011222 1080021838 /nfs/dbraw/zinc/02/18/38/1080021838.db2.gz LUWOKDZTWCSMAC-UHFFFAOYSA-N 1 0 419.482 2.492 20 5 HEBDRO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000785753868 1080233140 /nfs/dbraw/zinc/23/31/40/1080233140.db2.gz JXXDPESLVYUNLY-UHFFFAOYSA-N 1 0 412.512 2.231 20 5 HEBDRO Cc1c(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000785825224 1080260845 /nfs/dbraw/zinc/26/08/45/1080260845.db2.gz DNFKYOQLBCXXMR-GFCCVEGCSA-N 1 0 406.439 2.445 20 5 HEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000746566325 1080301249 /nfs/dbraw/zinc/30/12/49/1080301249.db2.gz DKZLUTWQXPNFTI-GOSISDBHSA-N 1 0 420.510 2.004 20 5 HEBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786911765 1080881086 /nfs/dbraw/zinc/88/10/86/1080881086.db2.gz ODAHPCWVOSWJEY-AWEZNQCLSA-N 1 0 418.475 2.249 20 5 HEBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2 ZINC001164709711 720095327 /nfs/dbraw/zinc/09/53/27/720095327.db2.gz CLKDPINCOHSZME-LJQANCHMSA-N 1 0 413.478 2.131 20 5 HEBDRO Cc1c(C)c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)ncc1[N+](=O)[O-] ZINC001164814761 720226568 /nfs/dbraw/zinc/22/65/68/720226568.db2.gz YPLMVLSGTZNIAE-UHFFFAOYSA-N 1 0 400.483 2.414 20 5 HEBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001164818578 720302690 /nfs/dbraw/zinc/30/26/90/720302690.db2.gz AKWFJHYAORKWPW-UXHICEINSA-N 1 0 424.505 2.450 20 5 HEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164855574 720929269 /nfs/dbraw/zinc/92/92/69/720929269.db2.gz IROGPBKBNGDOPG-CYBMUJFWSA-N 1 0 402.455 2.394 20 5 HEBDRO Cc1nc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164870073 721045958 /nfs/dbraw/zinc/04/59/58/721045958.db2.gz VPWUKBCSQXRTDT-HUUCEWRRSA-N 1 0 404.858 2.221 20 5 HEBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164765066 721099278 /nfs/dbraw/zinc/09/92/78/721099278.db2.gz IHJNOBVCHZPDGN-RYUDHWBXSA-N 1 0 412.281 2.383 20 5 HEBDRO CC(C)Oc1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164764066 721214676 /nfs/dbraw/zinc/21/46/76/721214676.db2.gz GCYZUQLJAPOTRJ-DLBZAZTESA-N 1 0 400.483 2.469 20 5 HEBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])cc(Cl)n4)C3)O2)CC1 ZINC001164893625 721382794 /nfs/dbraw/zinc/38/27/94/721382794.db2.gz WFUALQAHCHXXRM-LPHOPBHVSA-N 1 0 409.918 2.409 20 5 HEBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)ncc4[N+](=O)[O-])C3)O2)CC1 ZINC001164888502 721391601 /nfs/dbraw/zinc/39/16/01/721391601.db2.gz JOJBNFHFHKBQFS-HNAYVOBHSA-N 1 0 409.918 2.409 20 5 HEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889823 721392739 /nfs/dbraw/zinc/39/27/39/721392739.db2.gz MNMVTBVZEWURNW-DNVCBOLYSA-N 1 0 424.933 2.112 20 5 HEBDRO Cc1c(C)c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164890913 721418203 /nfs/dbraw/zinc/41/82/03/721418203.db2.gz UIBZRWWTMSXGGI-RXVVDRJESA-N 1 0 403.527 2.372 20 5 HEBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C3)O2)CC1 ZINC001164883643 721420542 /nfs/dbraw/zinc/42/05/42/721420542.db2.gz BPTJPHFHKHFNSI-HRAATJIYSA-N 1 0 414.510 2.237 20 5 HEBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc([N+](=O)[O-])c4ccccc42)CC3)CC1 ZINC001164794201 721512349 /nfs/dbraw/zinc/51/23/49/721512349.db2.gz KNFRCFGSSWLJBX-UHFFFAOYSA-N 1 0 407.478 2.107 20 5 HEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164907586 721567217 /nfs/dbraw/zinc/56/72/17/721567217.db2.gz OTSVKSGYKGXQMF-GDBMZVCRSA-N 1 0 416.409 2.257 20 5 HEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979180 722129299 /nfs/dbraw/zinc/12/92/99/722129299.db2.gz PMKVSZGOMQOWRM-DOTOQJQBSA-N 1 0 419.869 2.004 20 5 HEBDRO