smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000301352946 970884056 /nfs/dbraw/zinc/88/40/56/970884056.db2.gz JNMBJECOAYYYLC-UHFFFAOYSA-N 1 0 410.474 3.936 20 5 HHBDRO C[NH+](C)[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)C1CCCCC1 ZINC000301384351 970899167 /nfs/dbraw/zinc/89/91/67/970899167.db2.gz WFDCOMSJLPXILF-SFHVURJKSA-N 1 0 419.913 3.717 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000301513743 970962882 /nfs/dbraw/zinc/96/28/82/970962882.db2.gz FVNHBYZKRZYXSQ-VQIMIIECSA-N 1 0 410.474 3.874 20 5 HHBDRO C[C@H]1C[NH+](CC2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000301820217 971075279 /nfs/dbraw/zinc/07/52/79/971075279.db2.gz JJBSOQBFQFXFMR-KBPBESRZSA-N 1 0 401.429 3.939 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000301884975 971098779 /nfs/dbraw/zinc/09/87/79/971098779.db2.gz ZGWBESGJXOSPAN-RTBURBONSA-N 1 0 409.534 3.652 20 5 HHBDRO CC[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(-c4ccccc4)n3)cn2)CC1 ZINC000301888832 971100303 /nfs/dbraw/zinc/10/03/03/971100303.db2.gz RVOIBDMHNNTHBB-UHFFFAOYSA-N 1 0 418.501 3.806 20 5 HHBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2CC[NH+](CC3CCCCC3)CC2)s1 ZINC000301937731 971125475 /nfs/dbraw/zinc/12/54/75/971125475.db2.gz RJWHHBFHUAIBMQ-UHFFFAOYSA-N 1 0 401.554 3.516 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000302047816 971161822 /nfs/dbraw/zinc/16/18/22/971161822.db2.gz NWFMHUNIBKBYIS-IRXDYDNUSA-N 1 0 402.495 3.642 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000302075610 971170445 /nfs/dbraw/zinc/17/04/45/971170445.db2.gz WAYCZRYIUQJVFS-DLBZAZTESA-N 1 0 400.523 3.578 20 5 HHBDRO Cc1cc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302151724 971188609 /nfs/dbraw/zinc/18/86/09/971188609.db2.gz HUJAZTRHSCAMNJ-UHFFFAOYSA-N 1 0 415.453 3.895 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000302173032 971195673 /nfs/dbraw/zinc/19/56/73/971195673.db2.gz MYOZGWSQPOZCSC-UTKZUKDTSA-N 1 0 408.502 3.763 20 5 HHBDRO O=c1[nH]cnc2cc(N[C@@H]3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c([N+](=O)[O-])cc21 ZINC000302200186 971205648 /nfs/dbraw/zinc/20/56/48/971205648.db2.gz YZRXEEUNCNHZCN-NZSAHSFTSA-N 1 0 419.485 3.956 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000524255692 1013066866 /nfs/dbraw/zinc/06/68/66/1013066866.db2.gz LMWHAZUCIIAQGU-STQMWFEESA-N 1 0 412.328 3.844 20 5 HHBDRO CC(C)NC(=O)c1ccc(N2CCN([C@H](C)c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000302769277 971311435 /nfs/dbraw/zinc/31/14/35/971311435.db2.gz BKGREZGWXGYRBR-MRXNPFEDSA-N 1 0 414.481 3.755 20 5 HHBDRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1)c1ccccc1 ZINC000303417867 971695229 /nfs/dbraw/zinc/69/52/29/971695229.db2.gz SZXLSIDIYSXEQM-INIZCTEOSA-N 1 0 403.504 3.537 20 5 HHBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000303777954 972022610 /nfs/dbraw/zinc/02/26/10/972022610.db2.gz RYBMNPJKQZQVAU-WBVHZDCISA-N 1 0 407.474 3.596 20 5 HHBDRO O=C(C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1)N(Cc1ccccc1)C1CC1 ZINC000303797727 972034900 /nfs/dbraw/zinc/03/49/00/972034900.db2.gz AGIKXIKQXKBGGO-UHFFFAOYSA-N 1 0 423.513 3.877 20 5 HHBDRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000542187043 1013128572 /nfs/dbraw/zinc/12/85/72/1013128572.db2.gz WXZXHBLRSJCNLR-ZDUSSCGKSA-N 1 0 419.865 3.584 20 5 HHBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000553176233 1013137779 /nfs/dbraw/zinc/13/77/79/1013137779.db2.gz VGCFIEVNGQXHNW-XJKSGUPXSA-N 1 0 411.452 3.658 20 5 HHBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000537614705 1013153984 /nfs/dbraw/zinc/15/39/84/1013153984.db2.gz CBQCVXHBDPDNIA-HIFRSBDPSA-N 1 0 419.444 3.707 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000303863759 972405951 /nfs/dbraw/zinc/40/59/51/972405951.db2.gz MIBYNNZELFWWSZ-SOLBZPMBSA-N 1 0 411.506 3.718 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000553294704 1013251907 /nfs/dbraw/zinc/25/19/07/1013251907.db2.gz JJAAJTRLHJZULT-HOTGVXAUSA-N 1 0 412.490 3.866 20 5 HHBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000553337421 1013283258 /nfs/dbraw/zinc/28/32/58/1013283258.db2.gz IWYPJYHUORPXHA-OAQYLSRUSA-N 1 0 417.513 3.540 20 5 HHBDRO Cn1cc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537726135 1013286948 /nfs/dbraw/zinc/28/69/48/1013286948.db2.gz RWXMFOFCUSGQBL-INIZCTEOSA-N 1 0 414.506 3.939 20 5 HHBDRO CCC[NH+]1CCC(Nc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])CC1 ZINC000014267468 962456589 /nfs/dbraw/zinc/45/65/89/962456589.db2.gz NSUCJGKNKCWFCY-UHFFFAOYSA-N 1 0 417.260 3.560 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1)CC(C)C ZINC000542453725 1013401558 /nfs/dbraw/zinc/40/15/58/1013401558.db2.gz LUCWPLDUHIDIBD-UHFFFAOYSA-N 1 0 420.554 3.893 20 5 HHBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000050611001 964363931 /nfs/dbraw/zinc/36/39/31/964363931.db2.gz GFPXLYWDSYQBIL-UHFFFAOYSA-N 1 0 400.504 3.809 20 5 HHBDRO C[C@H](C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000542555857 1013498547 /nfs/dbraw/zinc/49/85/47/1013498547.db2.gz WRUSNNFCAASJNP-INIZCTEOSA-N 1 0 421.513 3.767 20 5 HHBDRO COc1ccc(NC(=O)CC[N@H+](C)CCOc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000026226443 964492202 /nfs/dbraw/zinc/49/22/02/964492202.db2.gz REEOGFBFHXBJGI-UHFFFAOYSA-N 1 0 407.854 3.596 20 5 HHBDRO CC(C)c1ccc(C[NH+]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000026249484 964503212 /nfs/dbraw/zinc/50/32/12/964503212.db2.gz LXFBCXQMWPXGPU-UHFFFAOYSA-N 1 0 410.518 3.865 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000026297753 964517745 /nfs/dbraw/zinc/51/77/45/964517745.db2.gz DJCGESWXMZYXGL-UHFFFAOYSA-N 1 0 418.497 3.813 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000027060801 964766620 /nfs/dbraw/zinc/76/66/20/964766620.db2.gz DZMMVGNLEPWGMR-UHFFFAOYSA-N 1 0 411.506 3.568 20 5 HHBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027344100 964857530 /nfs/dbraw/zinc/85/75/30/964857530.db2.gz VCSHQDFERMWJOP-SFHVURJKSA-N 1 0 403.866 3.580 20 5 HHBDRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)oc21 ZINC000542587903 1013528381 /nfs/dbraw/zinc/52/83/81/1013528381.db2.gz ZCGIQLOOCXTZAS-PBHICJAKSA-N 1 0 400.431 3.830 20 5 HHBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000027675885 964941928 /nfs/dbraw/zinc/94/19/28/964941928.db2.gz YHUHXKIFFSPSIB-LJQANCHMSA-N 1 0 416.547 3.925 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000537955551 1013535477 /nfs/dbraw/zinc/53/54/77/1013535477.db2.gz BTOOCNOXSYBXEN-FHERZECASA-N 1 0 405.495 3.802 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053213378 965090217 /nfs/dbraw/zinc/09/02/17/965090217.db2.gz WUTVVICWBYKLAB-HNNXBMFYSA-N 1 0 409.490 3.520 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000053417395 965160950 /nfs/dbraw/zinc/16/09/50/965160950.db2.gz RXPWPEGPIUNUHW-RTBURBONSA-N 1 0 416.566 3.686 20 5 HHBDRO Cn1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053795619 965273157 /nfs/dbraw/zinc/27/31/57/965273157.db2.gz LFYBFVBVKHCOJV-UHFFFAOYSA-N 1 0 405.458 3.843 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c(C)c2)CC1 ZINC000029375143 965362850 /nfs/dbraw/zinc/36/28/50/965362850.db2.gz LQIMMAZQSCMWLL-UHFFFAOYSA-N 1 0 402.882 3.951 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000057546194 965493536 /nfs/dbraw/zinc/49/35/36/965493536.db2.gz UERICGVROHCEKQ-ZIAGYGMSSA-N 1 0 417.428 3.634 20 5 HHBDRO CCOc1cc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000058880441 965938971 /nfs/dbraw/zinc/93/89/71/965938971.db2.gz AWZOGTCGSOFKDC-UHFFFAOYSA-N 1 0 419.522 3.730 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000031525025 966041319 /nfs/dbraw/zinc/04/13/19/966041319.db2.gz BKQCJHCCRRLINU-UHFFFAOYSA-N 1 0 411.502 3.974 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)c1 ZINC000542710263 1013623198 /nfs/dbraw/zinc/62/31/98/1013623198.db2.gz GIJWGSBAGPNNKT-LJQANCHMSA-N 1 0 402.426 3.701 20 5 HHBDRO CC[NH+]1CCN(C[C@H](C)CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000060380222 966122234 /nfs/dbraw/zinc/12/22/34/966122234.db2.gz IVJPSYREFUANGV-GOSISDBHSA-N 1 0 410.518 3.511 20 5 HHBDRO COc1ccccc1NC(=O)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055902385 966131844 /nfs/dbraw/zinc/13/18/44/966131844.db2.gz NFBXJDIECVBKGQ-UHFFFAOYSA-N 1 0 413.474 3.723 20 5 HHBDRO Cc1cc(N2CC[NH+](CCc3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858566 966311764 /nfs/dbraw/zinc/31/17/64/966311764.db2.gz CUSUBJJBIOISEG-UHFFFAOYSA-N 1 0 403.486 3.725 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000032950091 966351542 /nfs/dbraw/zinc/35/15/42/966351542.db2.gz ZGXYZGMQPHLGBD-OAQYLSRUSA-N 1 0 407.474 3.593 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000553834529 1013645831 /nfs/dbraw/zinc/64/58/31/1013645831.db2.gz XYHVUXJFMXVFDH-UHFFFAOYSA-N 1 0 424.423 3.616 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000061285890 966419886 /nfs/dbraw/zinc/41/98/86/966419886.db2.gz VDKMYNFVXDOGTP-UHFFFAOYSA-N 1 0 423.498 3.582 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061287056 966421256 /nfs/dbraw/zinc/42/12/56/966421256.db2.gz MNKKCJYOEZKGOJ-UHFFFAOYSA-N 1 0 424.526 3.780 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000041896474 966662134 /nfs/dbraw/zinc/66/21/34/966662134.db2.gz PGSGQRBVJVLORF-UHFFFAOYSA-N 1 0 413.474 3.613 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000538120007 1013682084 /nfs/dbraw/zinc/68/20/84/1013682084.db2.gz KGAVAHJDOBIZJO-VXGBXAGGSA-N 1 0 409.389 3.883 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000063483012 966872996 /nfs/dbraw/zinc/87/29/96/966872996.db2.gz MUYPWULGMJCIIR-MRXNPFEDSA-N 1 0 408.462 3.506 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000064419307 967179927 /nfs/dbraw/zinc/17/99/27/967179927.db2.gz YCUXNJCYTIIPLQ-HNNXBMFYSA-N 1 0 417.893 3.928 20 5 HHBDRO O=C(NC1CC1)c1ccc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000065202166 967403600 /nfs/dbraw/zinc/40/36/00/967403600.db2.gz CWKJGBFRWVLRMB-SFHVURJKSA-N 1 0 408.502 3.811 20 5 HHBDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 ZINC000542881595 1013730632 /nfs/dbraw/zinc/73/06/32/1013730632.db2.gz SBZBAHUCQAOBPD-OAHLLOKOSA-N 1 0 421.457 3.738 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCCCC1 ZINC000045831375 967567383 /nfs/dbraw/zinc/56/73/83/967567383.db2.gz WQSJBYBGEFALDH-HSZRJFAPSA-N 1 0 405.542 3.781 20 5 HHBDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000538181296 1013740172 /nfs/dbraw/zinc/74/01/72/1013740172.db2.gz VAMZTBGNICVKGB-NRFANRHFSA-N 1 0 423.444 3.915 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)c([N+](=O)[O-])c1 ZINC000538187325 1013744853 /nfs/dbraw/zinc/74/48/53/1013744853.db2.gz FRSROOYQHOPFGF-AWEZNQCLSA-N 1 0 417.462 3.608 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1OC ZINC000542915232 1013754945 /nfs/dbraw/zinc/75/49/45/1013754945.db2.gz KXIBDCWNRUQQPR-DLBZAZTESA-N 1 0 417.510 3.532 20 5 HHBDRO C[NH+](C)CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000046723976 967941770 /nfs/dbraw/zinc/94/17/70/967941770.db2.gz ARCCZXFDFQHWJS-UHFFFAOYSA-N 1 0 415.493 3.734 20 5 HHBDRO COCCSc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000538205288 1013759327 /nfs/dbraw/zinc/75/93/27/1013759327.db2.gz RPFVGGVOFJQDHS-HNNXBMFYSA-N 1 0 403.504 3.931 20 5 HHBDRO C[N@H+](CCc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1)C1CC1 ZINC000538228217 1013777224 /nfs/dbraw/zinc/77/72/24/1013777224.db2.gz QJVSSYHQVQLMHO-UHFFFAOYSA-N 1 0 420.469 3.797 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000538227922 1013777739 /nfs/dbraw/zinc/77/77/39/1013777739.db2.gz JKBSLEXXDDJZRZ-ZDUSSCGKSA-N 1 0 417.437 3.821 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccsc1 ZINC000047865612 968347020 /nfs/dbraw/zinc/34/70/20/968347020.db2.gz YTIWZNORKKIEIP-ZDUSSCGKSA-N 1 0 400.407 3.682 20 5 HHBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000047866034 968347330 /nfs/dbraw/zinc/34/73/30/968347330.db2.gz BUGIHKXHBHUKAU-ZDUSSCGKSA-N 1 0 400.426 3.830 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000048229822 968494440 /nfs/dbraw/zinc/49/44/40/968494440.db2.gz YHFQYUXMNXWJGT-QGZVFWFLSA-N 1 0 417.428 3.776 20 5 HHBDRO CC(C)(CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[N@@H+]1CCc2ccccc2C1 ZINC000065725374 968614746 /nfs/dbraw/zinc/61/47/46/968614746.db2.gz CTIWGSBAGYAYAZ-UHFFFAOYSA-N 1 0 406.486 3.503 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc2[N+](=O)[O-])n1 ZINC000069043185 968807997 /nfs/dbraw/zinc/80/79/97/968807997.db2.gz RGRMYTWAWZOJHX-UHFFFAOYSA-N 1 0 408.549 3.829 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000069434768 968832949 /nfs/dbraw/zinc/83/29/49/968832949.db2.gz GJHJPGBZJHCTJM-UHFFFAOYSA-N 1 0 409.490 3.563 20 5 HHBDRO CC1(C)CC(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000071826607 968865521 /nfs/dbraw/zinc/86/55/21/968865521.db2.gz VPOPQCTZMRXKIS-UHFFFAOYSA-N 1 0 409.430 3.609 20 5 HHBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000072010934 968931231 /nfs/dbraw/zinc/93/12/31/968931231.db2.gz IIRXDZBMGWXMGQ-IAGOWNOFSA-N 1 0 424.501 3.726 20 5 HHBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000072025355 968939994 /nfs/dbraw/zinc/93/99/94/968939994.db2.gz UNZFQNGLUSBZKC-DHZHZOJOSA-N 1 0 406.486 3.779 20 5 HHBDRO CCCc1n[nH]c(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000078775068 969017843 /nfs/dbraw/zinc/01/78/43/969017843.db2.gz MWEOOEXWXIJPMI-HOTGVXAUSA-N 1 0 413.522 3.678 20 5 HHBDRO CCCc1n[nH]c(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000078775066 969017978 /nfs/dbraw/zinc/01/79/78/969017978.db2.gz MWEOOEXWXIJPMI-IYBDPMFKSA-N 1 0 413.522 3.678 20 5 HHBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000105522343 969243150 /nfs/dbraw/zinc/24/31/50/969243150.db2.gz SLSKAOUXZGHJOC-MRXNPFEDSA-N 1 0 416.909 3.783 20 5 HHBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000105522340 969243324 /nfs/dbraw/zinc/24/33/24/969243324.db2.gz SLSKAOUXZGHJOC-INIZCTEOSA-N 1 0 416.909 3.783 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000109484798 969523747 /nfs/dbraw/zinc/52/37/47/969523747.db2.gz VAWJZKJYJZVWRM-UHFFFAOYSA-N 1 0 423.498 3.582 20 5 HHBDRO CCCCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000111023742 969761745 /nfs/dbraw/zinc/76/17/45/969761745.db2.gz IWDOIMHCOFBWCW-UHFFFAOYSA-N 1 0 419.522 3.933 20 5 HHBDRO CCNc1ccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000115053192 969828945 /nfs/dbraw/zinc/82/89/45/969828945.db2.gz BRXXJDSMMYCZLV-UHFFFAOYSA-N 1 0 417.897 3.684 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)c1 ZINC000115860386 969857565 /nfs/dbraw/zinc/85/75/65/969857565.db2.gz NVESDJWTUPNHGQ-FQEVSTJZSA-N 1 0 413.474 3.569 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000116594943 969907878 /nfs/dbraw/zinc/90/78/78/969907878.db2.gz NPCMHOCWPDHVQP-HXUWFJFHSA-N 1 0 412.490 3.663 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCc4n[nH]cc4C3)o2)c(Br)c1 ZINC000236569648 970142451 /nfs/dbraw/zinc/14/24/51/970142451.db2.gz GSAAAVIBSYEISL-LBPRGKRZSA-N 1 0 417.263 3.988 20 5 HHBDRO O=C(NCCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000236607019 970145886 /nfs/dbraw/zinc/14/58/86/970145886.db2.gz KEECRVWPLJHFIC-ZZXKWVIFSA-N 1 0 418.291 3.780 20 5 HHBDRO CC(C)C(=O)Nc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000236839839 970178243 /nfs/dbraw/zinc/17/82/43/970178243.db2.gz FXPBAHDTJLVJPL-UHFFFAOYSA-N 1 0 407.474 3.880 20 5 HHBDRO CCc1ccc([C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000236963544 970195644 /nfs/dbraw/zinc/19/56/44/970195644.db2.gz CZSLUWYCGLFCAB-JOCHJYFZSA-N 1 0 407.518 3.950 20 5 HHBDRO COc1cc(CNC[C@H](C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237259097 970250317 /nfs/dbraw/zinc/25/03/17/970250317.db2.gz XFWNBIMPWAHOJZ-AWEZNQCLSA-N 1 0 419.444 3.755 20 5 HHBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237281886 970254845 /nfs/dbraw/zinc/25/48/45/970254845.db2.gz QTMKGDSMTODILA-FXAWDEMLSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000237304497 970259494 /nfs/dbraw/zinc/25/94/94/970259494.db2.gz UUAJKHAJZQECAG-NRFANRHFSA-N 1 0 419.481 3.967 20 5 HHBDRO COc1cc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237352896 970268313 /nfs/dbraw/zinc/26/83/13/970268313.db2.gz JTGQAIRJVFJOOY-RTWAWAEBSA-N 1 0 411.502 3.899 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccc(-n4cncn4)cc3)o2)c([N+](=O)[O-])c1 ZINC000237421154 970282676 /nfs/dbraw/zinc/28/26/76/970282676.db2.gz YZRDBWOSVXELSN-UHFFFAOYSA-N 1 0 405.414 3.734 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]C3CCN(C(=O)CC(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000237424343 970283320 /nfs/dbraw/zinc/28/33/20/970283320.db2.gz JYCFSVPZUWDAGP-UHFFFAOYSA-N 1 0 415.490 3.990 20 5 HHBDRO CNc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cc1[N+](=O)[O-] ZINC000147392335 970327423 /nfs/dbraw/zinc/32/74/23/970327423.db2.gz VPIJZNSQAUKGHY-UHFFFAOYSA-N 1 0 400.504 3.746 20 5 HHBDRO Cn1cc(C[NH2+]CCc2nc(-c3ccccn3)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237763002 970358485 /nfs/dbraw/zinc/35/84/85/970358485.db2.gz TYBZSRQKXRLTCM-UHFFFAOYSA-N 1 0 420.498 3.846 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 ZINC000237872993 970387002 /nfs/dbraw/zinc/38/70/02/970387002.db2.gz PJQCNQCAHIHVIQ-MRXNPFEDSA-N 1 0 406.529 3.579 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cs1 ZINC000237904871 970391408 /nfs/dbraw/zinc/39/14/08/970391408.db2.gz WRTHXFMDZZBVTR-INIZCTEOSA-N 1 0 415.437 3.838 20 5 HHBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 ZINC000237903155 970391889 /nfs/dbraw/zinc/39/18/89/970391889.db2.gz VVFNCWORBJHULF-LJQANCHMSA-N 1 0 409.408 3.777 20 5 HHBDRO Cn1cc(C[NH2+]CCc2nc(C(F)(F)F)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237922171 970395641 /nfs/dbraw/zinc/39/56/41/970395641.db2.gz HFXAIIOZVYVLRZ-UHFFFAOYSA-N 1 0 411.409 3.803 20 5 HHBDRO Cn1cc(C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237933130 970397952 /nfs/dbraw/zinc/39/79/52/970397952.db2.gz WCPMUPRNCYNBEG-UHFFFAOYSA-N 1 0 421.379 3.621 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000150212441 970434738 /nfs/dbraw/zinc/43/47/38/970434738.db2.gz HYQJRIQEGAUMFZ-QGZVFWFLSA-N 1 0 403.504 3.975 20 5 HHBDRO CCCOc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000261395981 970649481 /nfs/dbraw/zinc/64/94/81/970649481.db2.gz JERUSFIWOFOFKZ-KXBFYZLASA-N 1 0 413.474 3.848 20 5 HHBDRO COc1cccc(C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C2CCC(O)CC2)c1 ZINC000261400659 970652391 /nfs/dbraw/zinc/65/23/91/970652391.db2.gz QVUZKUHEGAMARE-UHFFFAOYSA-N 1 0 400.475 3.918 20 5 HHBDRO CC[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3C(F)(F)F)cn2)CC1 ZINC000301078251 970737543 /nfs/dbraw/zinc/73/75/43/970737543.db2.gz HMXGHCUZMRJXBH-UHFFFAOYSA-N 1 0 409.412 3.763 20 5 HHBDRO O=[N+]([O-])c1cc(Br)cnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000311984094 972628628 /nfs/dbraw/zinc/62/86/28/972628628.db2.gz OVWSEWMRNMBVCD-HOTGVXAUSA-N 1 0 417.307 3.711 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000311845093 972629223 /nfs/dbraw/zinc/62/92/23/972629223.db2.gz UWLTYTZZSHLRJH-OAHLLOKOSA-N 1 0 418.291 3.609 20 5 HHBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000409980713 973451658 /nfs/dbraw/zinc/45/16/58/973451658.db2.gz ABCXWBOOILIBNX-AWEZNQCLSA-N 1 0 420.560 3.973 20 5 HHBDRO COc1ccc(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000410049551 973532937 /nfs/dbraw/zinc/53/29/37/973532937.db2.gz OVSZCXSCJLEYIW-NRFANRHFSA-N 1 0 411.502 3.806 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(F)cc1 ZINC000426028904 974151048 /nfs/dbraw/zinc/15/10/48/974151048.db2.gz NKLSWSUZEDNFAL-FQEVSTJZSA-N 1 0 400.454 3.711 20 5 HHBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426352810 974410465 /nfs/dbraw/zinc/41/04/65/974410465.db2.gz MYNGDAKZXKFRGR-GOSISDBHSA-N 1 0 409.486 3.921 20 5 HHBDRO COc1cc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000426402285 974433907 /nfs/dbraw/zinc/43/39/07/974433907.db2.gz HVWSLICCMVEMDQ-UHFFFAOYSA-N 1 0 421.453 3.841 20 5 HHBDRO C[C@H]1C[NH+](CCC2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000426653334 974584499 /nfs/dbraw/zinc/58/44/99/974584499.db2.gz AOXQBHYECKTGAE-ROUUACIJSA-N 1 0 417.550 3.610 20 5 HHBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc2ccccc2c2cccnc12 ZINC000427100597 974903972 /nfs/dbraw/zinc/90/39/72/974903972.db2.gz LZGYKIQLQNPKIZ-PKTZIBPZSA-N 1 0 403.526 3.886 20 5 HHBDRO CC[N@H+](CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000427260638 975010084 /nfs/dbraw/zinc/01/00/84/975010084.db2.gz OSWLTSUSXHECLA-UHFFFAOYSA-N 1 0 401.307 3.618 20 5 HHBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427916636 975348079 /nfs/dbraw/zinc/34/80/79/975348079.db2.gz WJPJKHQMXXOADN-UHFFFAOYSA-N 1 0 422.485 3.678 20 5 HHBDRO COc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000428465410 975765807 /nfs/dbraw/zinc/76/58/07/975765807.db2.gz XGMHMUWWFQWVAG-UYAOXDASSA-N 1 0 400.475 3.918 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)c(Cl)c1 ZINC000428531865 975826626 /nfs/dbraw/zinc/82/66/26/975826626.db2.gz AVKQPTJSZVDHEJ-LBPRGKRZSA-N 1 0 413.699 3.952 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)cc2[N+](=O)[O-])C1 ZINC000428727957 976013710 /nfs/dbraw/zinc/01/37/10/976013710.db2.gz ZQQSAHNBSVVKJX-HNJRGHQBSA-N 1 0 414.550 3.633 20 5 HHBDRO Cc1ccc(NC(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000429217835 976511721 /nfs/dbraw/zinc/51/17/21/976511721.db2.gz UDLHZXIYXSNOAT-IAGOWNOFSA-N 1 0 404.511 3.646 20 5 HHBDRO Cc1c(NC(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000429224559 976517364 /nfs/dbraw/zinc/51/73/64/976517364.db2.gz XUAJWZPFFWNXFP-HZPDHXFCSA-N 1 0 404.511 3.646 20 5 HHBDRO C/C=C/c1ccc(OC[C@H](O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000429259218 976547593 /nfs/dbraw/zinc/54/75/93/976547593.db2.gz JMVBNOFNATYMDI-ZGRWHYIRSA-N 1 0 400.475 3.901 20 5 HHBDRO CCOc1ccc([C@@H](C)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000429431859 976711257 /nfs/dbraw/zinc/71/12/57/976711257.db2.gz WRSPPVATTOQJSJ-WIYYLYMNSA-N 1 0 413.518 3.935 20 5 HHBDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430228442 977404798 /nfs/dbraw/zinc/40/47/98/977404798.db2.gz UZMYSZYXAQRDRM-HNNXBMFYSA-N 1 0 417.428 3.616 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000430424475 977536974 /nfs/dbraw/zinc/53/69/74/977536974.db2.gz IZJLLXHPFGPUFD-AEFFLSMTSA-N 1 0 411.506 3.719 20 5 HHBDRO Cc1cc(OCC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000430700392 977702855 /nfs/dbraw/zinc/70/28/55/977702855.db2.gz AZODIZFNDKDWCD-YWZLYKJASA-N 1 0 403.504 3.543 20 5 HHBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000430827381 977782729 /nfs/dbraw/zinc/78/27/29/977782729.db2.gz ZSVPAOYSRQZDCI-DYVFJYSZSA-N 1 0 412.328 3.988 20 5 HHBDRO COC(=O)c1cc(C)nc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1[N+](=O)[O-] ZINC000431474101 978319986 /nfs/dbraw/zinc/31/99/86/978319986.db2.gz SQJAULVNVLBGTC-UHFFFAOYSA-N 1 0 424.501 3.577 20 5 HHBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000431918548 978600403 /nfs/dbraw/zinc/60/04/03/978600403.db2.gz JCGRIDHZTDHRTH-PBHICJAKSA-N 1 0 423.922 3.580 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)o1 ZINC000431974073 978625891 /nfs/dbraw/zinc/62/58/91/978625891.db2.gz PWZIZWIXILXFPT-GOSISDBHSA-N 1 0 400.479 3.868 20 5 HHBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000432649140 978925556 /nfs/dbraw/zinc/92/55/56/978925556.db2.gz MGWUVOWSZQQTAO-INIZCTEOSA-N 1 0 416.275 3.982 20 5 HHBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000432758965 978962356 /nfs/dbraw/zinc/96/23/56/978962356.db2.gz SEIIHXFQBHEXJP-KRWDZBQOSA-N 1 0 418.291 3.704 20 5 HHBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000433165963 979110961 /nfs/dbraw/zinc/11/09/61/979110961.db2.gz WLWRVKCNAZTOIE-JLTOFOAXSA-N 1 0 417.531 3.918 20 5 HHBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c2cc([N+](=O)[O-])ccc21 ZINC000433266731 979201433 /nfs/dbraw/zinc/20/14/33/979201433.db2.gz BDHPLEKBEOAGCD-YSZBQJHXSA-N 1 0 409.530 3.790 20 5 HHBDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000433279281 979212600 /nfs/dbraw/zinc/21/26/00/979212600.db2.gz QDPAPSKGYRQYIN-LEWJYISDSA-N 1 0 409.486 3.717 20 5 HHBDRO COc1cc(C[C@H](CO)C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc(OC)c1 ZINC000433296177 979221917 /nfs/dbraw/zinc/22/19/17/979221917.db2.gz HBNRQBNTHLIWMG-AOMKIAJQSA-N 1 0 414.502 3.775 20 5 HHBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000434062021 979801232 /nfs/dbraw/zinc/80/12/32/979801232.db2.gz IAIWVWKNTSELSB-QRQLOZEOSA-N 1 0 400.523 3.530 20 5 HHBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000434332228 980096119 /nfs/dbraw/zinc/09/61/19/980096119.db2.gz HXBIXFBJOQPZST-GOSISDBHSA-N 1 0 405.458 3.799 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000434420646 980160970 /nfs/dbraw/zinc/16/09/70/980160970.db2.gz HLMWHSNCIOMTJX-QFBILLFUSA-N 1 0 423.517 3.910 20 5 HHBDRO Cc1c(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000435376897 980826027 /nfs/dbraw/zinc/82/60/27/980826027.db2.gz VZQZTGBCTSEWOZ-GOSISDBHSA-N 1 0 405.458 3.799 20 5 HHBDRO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000435378276 980826842 /nfs/dbraw/zinc/82/68/42/980826842.db2.gz HVZBVIPVCRBDQS-QGZVFWFLSA-N 1 0 409.421 3.630 20 5 HHBDRO Cc1ccc([C@H](C)NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000435415814 980850122 /nfs/dbraw/zinc/85/01/22/980850122.db2.gz DDXQABPXMXZZMT-SFHVURJKSA-N 1 0 418.538 3.546 20 5 HHBDRO O=C([C@@H]1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1)N1CCCCC1 ZINC000435741031 981011220 /nfs/dbraw/zinc/01/12/20/981011220.db2.gz GZHHOILNLHRNGJ-SJORKVTESA-N 1 0 414.531 3.989 20 5 HHBDRO Cn1cc(CN2CCC[N@H+](Cc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435771909 981024226 /nfs/dbraw/zinc/02/42/26/981024226.db2.gz NIODBBDSBORSEC-UHFFFAOYSA-N 1 0 405.502 3.703 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 ZINC000435815250 981042805 /nfs/dbraw/zinc/04/28/05/981042805.db2.gz BIINYWQKDIBMCF-HXUWFJFHSA-N 1 0 403.457 3.853 20 5 HHBDRO CC(C)[NH+](CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(C)C ZINC000435825113 981047413 /nfs/dbraw/zinc/04/74/13/981047413.db2.gz GREMJGIRSIUZJX-UHFFFAOYSA-N 1 0 401.457 3.808 20 5 HHBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000435935267 981101162 /nfs/dbraw/zinc/10/11/62/981101162.db2.gz IXVGCVRPQIWOJM-UHFFFAOYSA-N 1 0 421.447 3.951 20 5 HHBDRO C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[N@@H+]1CCCC[C@@H]1C ZINC000436098543 981199234 /nfs/dbraw/zinc/19/92/34/981199234.db2.gz KEFBLHNIPRIWIT-KBPBESRZSA-N 1 0 413.468 3.952 20 5 HHBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000436305085 981289531 /nfs/dbraw/zinc/28/95/31/981289531.db2.gz HOXQKVUTUKDNDN-UHFFFAOYSA-N 1 0 413.468 3.810 20 5 HHBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000436364570 981327445 /nfs/dbraw/zinc/32/74/45/981327445.db2.gz NZWDFGHZXAKPHD-UHFFFAOYSA-N 1 0 415.493 3.552 20 5 HHBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000448280508 981669505 /nfs/dbraw/zinc/66/95/05/981669505.db2.gz FSJDBKGROGKWRG-CQSZACIVSA-N 1 0 417.428 3.634 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)OC4(CCOCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000448357707 981721852 /nfs/dbraw/zinc/72/18/52/981721852.db2.gz YCQKFZSMAVFMQM-HNNXBMFYSA-N 1 0 402.447 3.633 20 5 HHBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000437191815 981849114 /nfs/dbraw/zinc/84/91/14/981849114.db2.gz BLEAZZXSDRKCGA-SJLPKXTDSA-N 1 0 411.506 3.719 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437239798 981897038 /nfs/dbraw/zinc/89/70/38/981897038.db2.gz WDENOCKJQIWAJF-UHFFFAOYSA-N 1 0 413.371 3.957 20 5 HHBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000437283083 981936763 /nfs/dbraw/zinc/93/67/63/981936763.db2.gz GNOXHSSHQRQDNS-UHFFFAOYSA-N 1 0 424.379 3.756 20 5 HHBDRO CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460580000 982364890 /nfs/dbraw/zinc/36/48/90/982364890.db2.gz ISINSXWWXXFYPP-IBGZPJMESA-N 1 0 412.538 3.964 20 5 HHBDRO CCOc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000437857199 982414345 /nfs/dbraw/zinc/41/43/45/982414345.db2.gz DITPCJONVLZCQK-MRXNPFEDSA-N 1 0 405.495 3.529 20 5 HHBDRO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000460653056 982424620 /nfs/dbraw/zinc/42/46/20/982424620.db2.gz FMVZCCULHNNHNQ-SXLOBPIMSA-N 1 0 408.502 3.819 20 5 HHBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437949703 982481350 /nfs/dbraw/zinc/48/13/50/982481350.db2.gz DIZOMIKQRFGDQO-OAQYLSRUSA-N 1 0 408.502 3.933 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437994811 982512251 /nfs/dbraw/zinc/51/22/51/982512251.db2.gz QCBVAASVLPMUFD-HXUWFJFHSA-N 1 0 422.529 3.833 20 5 HHBDRO Cc1c(CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000460858658 982603757 /nfs/dbraw/zinc/60/37/57/982603757.db2.gz SWTDHUXTQMUROI-SFTDATJTSA-N 1 0 408.502 3.567 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000461060011 982757488 /nfs/dbraw/zinc/75/74/88/982757488.db2.gz QJOUQBIHPKYCRN-UHFFFAOYSA-N 1 0 417.893 3.830 20 5 HHBDRO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)Nc1ccccc1Br ZINC000438524347 982862316 /nfs/dbraw/zinc/86/23/16/982862316.db2.gz SZBLAYSLIQQTTE-UHFFFAOYSA-N 1 0 404.264 3.744 20 5 HHBDRO CC(C)C1CCC([NH+]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000438562976 982903869 /nfs/dbraw/zinc/90/38/69/982903869.db2.gz KNZHDKBVRQSHJG-UHFFFAOYSA-N 1 0 402.539 3.756 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000438601464 982930756 /nfs/dbraw/zinc/93/07/56/982930756.db2.gz WPBLSDKBOCVMNW-UHFFFAOYSA-N 1 0 413.474 3.952 20 5 HHBDRO CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000438662302 982979994 /nfs/dbraw/zinc/97/99/94/982979994.db2.gz WSJXMMXRHHQUIC-YLJYHZDGSA-N 1 0 424.501 3.526 20 5 HHBDRO C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000461441331 983105175 /nfs/dbraw/zinc/10/51/75/983105175.db2.gz GAFCNTLNAATHSY-WDSOQIARSA-N 1 0 411.477 3.818 20 5 HHBDRO CSc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000461444289 983109370 /nfs/dbraw/zinc/10/93/70/983109370.db2.gz KQRHMRQRXUIRBD-OALUTQOASA-N 1 0 411.527 3.911 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)[NH+]2CCCCC2)cc1 ZINC000438904170 983145378 /nfs/dbraw/zinc/14/53/78/983145378.db2.gz YHJVXMFLWVSXGG-JOCHJYFZSA-N 1 0 411.502 3.798 20 5 HHBDRO CC(C)c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000439735863 983519409 /nfs/dbraw/zinc/51/94/09/983519409.db2.gz UIUBLJZMPSBJTH-FQEVSTJZSA-N 1 0 411.502 3.605 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000439757390 983526987 /nfs/dbraw/zinc/52/69/87/983526987.db2.gz GPBFUODZWDMZRY-KRWDZBQOSA-N 1 0 423.517 3.545 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000439886563 983570168 /nfs/dbraw/zinc/57/01/68/983570168.db2.gz GVXMOWDSQWVZDF-UHFFFAOYSA-N 1 0 416.478 3.598 20 5 HHBDRO CCC(CC)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000440314157 983716781 /nfs/dbraw/zinc/71/67/81/983716781.db2.gz KIVDJYDRLGEGNU-AWEZNQCLSA-N 1 0 401.294 3.764 20 5 HHBDRO COc1ccc(OCCN2CC[NH+](C3CCC(C(C)C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000440326462 983722784 /nfs/dbraw/zinc/72/27/84/983722784.db2.gz ODNODCQUBJASNN-UHFFFAOYSA-N 1 0 405.539 3.815 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440545234 983791265 /nfs/dbraw/zinc/79/12/65/983791265.db2.gz JGIMTMAMWAJKJI-VVBPWWLESA-N 1 0 417.506 3.602 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000440910968 983967538 /nfs/dbraw/zinc/96/75/38/983967538.db2.gz FOTZJDLDQDXAFX-GJZGRUSLSA-N 1 0 411.458 3.751 20 5 HHBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1 ZINC000441247399 984137031 /nfs/dbraw/zinc/13/70/31/984137031.db2.gz RQDVDNIOPZDGJG-KRWDZBQOSA-N 1 0 402.447 3.837 20 5 HHBDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000441379769 984219873 /nfs/dbraw/zinc/21/98/73/984219873.db2.gz DWTUYGKAMCMHCS-LAUBAEHRSA-N 1 0 407.474 3.766 20 5 HHBDRO Cc1cc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461942660 984943772 /nfs/dbraw/zinc/94/37/72/984943772.db2.gz DCTJUMOYTQWAPJ-JTQLQIEISA-N 1 0 401.414 3.669 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000462158039 985131444 /nfs/dbraw/zinc/13/14/44/985131444.db2.gz KCINCRDIJOEVDK-SCLBCKFNSA-N 1 0 418.291 3.608 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000462175464 985154317 /nfs/dbraw/zinc/15/43/17/985154317.db2.gz JWKGGXHFPQGHOR-SUMWQHHRSA-N 1 0 407.392 3.864 20 5 HHBDRO O=[N+]([O-])c1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)nc1OCc1ccccc1 ZINC000462710716 985656591 /nfs/dbraw/zinc/65/65/91/985656591.db2.gz XYOGQNVUYFVKGC-UHFFFAOYSA-N 1 0 419.485 4.292 20 5 HHBDRO CNc1c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cccc1[N+](=O)[O-] ZINC000462777476 985713502 /nfs/dbraw/zinc/71/35/02/985713502.db2.gz HRVKTBXOJZFZTR-QHCPKHFHSA-N 1 0 408.502 3.765 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000462819419 985745307 /nfs/dbraw/zinc/74/53/07/985745307.db2.gz MJEZTYWZEFTCPA-HZPDHXFCSA-N 1 0 400.454 3.567 20 5 HHBDRO CN1CC[N@H+](CCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](c2ccccc2)C1 ZINC000462924234 985858014 /nfs/dbraw/zinc/85/80/14/985858014.db2.gz LPYHBSMZCCGPNW-LJQANCHMSA-N 1 0 420.460 3.987 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443719123 985929050 /nfs/dbraw/zinc/92/90/50/985929050.db2.gz QMXDBNPMYZJOTN-KRWDZBQOSA-N 1 0 417.531 3.589 20 5 HHBDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)CC1 ZINC000443741131 985956162 /nfs/dbraw/zinc/95/61/62/985956162.db2.gz BCCSLFMJARIHGJ-UHFFFAOYSA-N 1 0 415.943 3.570 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000463189594 986161398 /nfs/dbraw/zinc/16/13/98/986161398.db2.gz AZJKKVXXHYCFGS-VUBSUSDNSA-N 1 0 419.522 3.584 20 5 HHBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000463209583 986181037 /nfs/dbraw/zinc/18/10/37/986181037.db2.gz KSSXPZDWKWNWCJ-OVLVRJBISA-N 1 0 409.914 3.838 20 5 HHBDRO CC(C)C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[NH+](C)C ZINC000444007937 986203820 /nfs/dbraw/zinc/20/38/20/986203820.db2.gz DHXZAWQPUIENHC-CQSZACIVSA-N 1 0 401.457 3.666 20 5 HHBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444108571 986307555 /nfs/dbraw/zinc/30/75/55/986307555.db2.gz JWPLBCANZWBYGO-MRXNPFEDSA-N 1 0 407.489 3.624 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463379454 986346201 /nfs/dbraw/zinc/34/62/01/986346201.db2.gz SVOOGGUABMBLHN-SFHVURJKSA-N 1 0 410.518 3.722 20 5 HHBDRO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000444171920 986348547 /nfs/dbraw/zinc/34/85/47/986348547.db2.gz QSJYNZDBRSWTIY-MRXNPFEDSA-N 1 0 416.909 3.956 20 5 HHBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463414145 986384405 /nfs/dbraw/zinc/38/44/05/986384405.db2.gz MUZXPHGCDSTUSH-UHFFFAOYSA-N 1 0 407.392 3.792 20 5 HHBDRO COc1cc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000468694458 986407365 /nfs/dbraw/zinc/40/73/65/986407365.db2.gz PECHPAYYWFDSBV-MOPGFXCFSA-N 1 0 400.422 3.542 20 5 HHBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000444247131 986440106 /nfs/dbraw/zinc/44/01/06/986440106.db2.gz KYSYZPORHDNUQX-VFNWGFHPSA-N 1 0 419.500 3.909 20 5 HHBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)CC[C@@H]21 ZINC000444249240 986443309 /nfs/dbraw/zinc/44/33/09/986443309.db2.gz SOIVLLLEAMHEBK-YJYMSZOUSA-N 1 0 411.452 3.516 20 5 HHBDRO COc1cccc(C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)c1[N+](=O)[O-] ZINC000444414939 986595995 /nfs/dbraw/zinc/59/59/95/986595995.db2.gz YWXZIXGKERUPSW-UHFFFAOYSA-N 1 0 412.490 3.695 20 5 HHBDRO COc1cccc(C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CCC(O)CC2)c1 ZINC000444641444 986827589 /nfs/dbraw/zinc/82/75/89/986827589.db2.gz RLVUZQWOFAGTKF-UHFFFAOYSA-N 1 0 410.474 3.785 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)nc2c1 ZINC000444642521 986828509 /nfs/dbraw/zinc/82/85/09/986828509.db2.gz AXUWKHGVMBARNK-QHCPKHFHSA-N 1 0 405.502 3.959 20 5 HHBDRO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000444682868 986862990 /nfs/dbraw/zinc/86/29/90/986862990.db2.gz VZIACUKTOWWSFK-UHFFFAOYSA-N 1 0 423.521 3.759 20 5 HHBDRO CCOc1cc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000469253682 986972690 /nfs/dbraw/zinc/97/26/90/986972690.db2.gz PPNDVOZGCDDDAB-MRXNPFEDSA-N 1 0 415.446 3.640 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000444924181 987072146 /nfs/dbraw/zinc/07/21/46/987072146.db2.gz MXHAXDQVZMTETL-FZKQIMNGSA-N 1 0 404.492 3.870 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469455459 987140936 /nfs/dbraw/zinc/14/09/36/987140936.db2.gz VOYJBODXTZOQRG-ZDUSSCGKSA-N 1 0 403.385 3.661 20 5 HHBDRO Cc1c(CC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000469507694 987184463 /nfs/dbraw/zinc/18/44/63/987184463.db2.gz AOKMPHXMQLBWHH-SFHVURJKSA-N 1 0 409.408 3.884 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000445506102 987566988 /nfs/dbraw/zinc/56/69/88/987566988.db2.gz XICPBNUXROBYOP-UHFFFAOYSA-N 1 0 408.502 3.636 20 5 HHBDRO COC(=O)c1ccccc1C(=O)c1ccc(NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000445600136 987669717 /nfs/dbraw/zinc/66/97/17/987669717.db2.gz KRKHYBMHJBQXSJ-UHFFFAOYSA-N 1 0 411.458 3.509 20 5 HHBDRO C[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000470146708 988053710 /nfs/dbraw/zinc/05/37/10/988053710.db2.gz LCOXJXZSQOLDBZ-ZDUSSCGKSA-N 1 0 419.432 3.508 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470148535 988055867 /nfs/dbraw/zinc/05/58/67/988055867.db2.gz LGRZIQPPNXSGPR-GOSISDBHSA-N 1 0 401.442 3.647 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000470149875 988058263 /nfs/dbraw/zinc/05/82/63/988058263.db2.gz DTCCBOQGJNDRCT-SFHVURJKSA-N 1 0 402.426 3.701 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000470184292 988100732 /nfs/dbraw/zinc/10/07/32/988100732.db2.gz RFRRBXJPUOPSKB-LGMDPLHJSA-N 1 0 418.515 3.803 20 5 HHBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000470355009 988321902 /nfs/dbraw/zinc/32/19/02/988321902.db2.gz NDTNBUJTNNYAJZ-YADHBBJMSA-N 1 0 422.529 3.833 20 5 HHBDRO CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470657320 988674329 /nfs/dbraw/zinc/67/43/29/988674329.db2.gz RPGIITPKQAFQGL-OAQYLSRUSA-N 1 0 422.529 3.932 20 5 HHBDRO CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470663465 988683647 /nfs/dbraw/zinc/68/36/47/988683647.db2.gz XMSHYHMYJKDCAW-OAQYLSRUSA-N 1 0 419.485 3.517 20 5 HHBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470667361 988688051 /nfs/dbraw/zinc/68/80/51/988688051.db2.gz LNXFFSUDOCDDOO-IBGZPJMESA-N 1 0 401.894 3.914 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000464599802 988782148 /nfs/dbraw/zinc/78/21/48/988782148.db2.gz DGMZTYOLWJODSN-ZDUSSCGKSA-N 1 0 403.483 3.543 20 5 HHBDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000471057708 989141053 /nfs/dbraw/zinc/14/10/53/989141053.db2.gz RCXWKAQWMOMJMK-UHFFFAOYSA-N 1 0 424.501 3.566 20 5 HHBDRO C[C@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000464903945 989177046 /nfs/dbraw/zinc/17/70/46/989177046.db2.gz MSISVCBFNOGADK-SFHVURJKSA-N 1 0 406.486 3.673 20 5 HHBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000464942019 989231471 /nfs/dbraw/zinc/23/14/71/989231471.db2.gz VPTLZBQQUFJQFE-UHFFFAOYSA-N 1 0 418.881 3.651 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCN(c3ccc4ccccc4n3)CC2)cccc1[N+](=O)[O-] ZINC000471191288 989326594 /nfs/dbraw/zinc/32/65/94/989326594.db2.gz NFJZWAVAKLTVQO-UHFFFAOYSA-N 1 0 419.485 3.602 20 5 HHBDRO C[C@](CO)([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCCCC1 ZINC000471245995 989392779 /nfs/dbraw/zinc/39/27/79/989392779.db2.gz WXDOMYBKAVWYEB-HXUWFJFHSA-N 1 0 418.519 3.578 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471297081 989458679 /nfs/dbraw/zinc/45/86/79/989458679.db2.gz ITGQXHFPWDROAH-DOTOQJQBSA-N 1 0 417.893 3.654 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471383184 989562433 /nfs/dbraw/zinc/56/24/33/989562433.db2.gz BUPXJBBYJBDFRU-CALCHBBNSA-N 1 0 419.403 3.818 20 5 HHBDRO C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000471528204 989728037 /nfs/dbraw/zinc/72/80/37/989728037.db2.gz LKONCYOPBGQQMU-JLTOFOAXSA-N 1 0 405.882 3.825 20 5 HHBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471904229 990073751 /nfs/dbraw/zinc/07/37/51/990073751.db2.gz AWDQVCSMGSBLRG-NRFANRHFSA-N 1 0 410.518 3.739 20 5 HHBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465743851 990128456 /nfs/dbraw/zinc/12/84/56/990128456.db2.gz VPQWHKTYGQBIAG-KSZLIROESA-N 1 0 418.538 3.514 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000465751970 990138373 /nfs/dbraw/zinc/13/83/73/990138373.db2.gz JIPXICHLYRCASG-APWZRJJASA-N 1 0 402.520 3.581 20 5 HHBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000465763709 990148716 /nfs/dbraw/zinc/14/87/16/990148716.db2.gz SOCAGJURJDKREE-OAQYLSRUSA-N 1 0 410.518 3.691 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000466228733 991452236 /nfs/dbraw/zinc/45/22/36/991452236.db2.gz SHEIJGVNEBTIJV-QGZVFWFLSA-N 1 0 402.882 3.712 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1 ZINC000466243840 991476992 /nfs/dbraw/zinc/47/69/92/991476992.db2.gz HAFGOOJLYHUIID-UHFFFAOYSA-N 1 0 416.503 3.768 20 5 HHBDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1)CC(C)C ZINC000467047290 992356656 /nfs/dbraw/zinc/35/66/56/992356656.db2.gz PTPVWFOWXMIIED-UHFFFAOYSA-N 1 0 417.597 3.733 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1SC ZINC000467047988 992357649 /nfs/dbraw/zinc/35/76/49/992357649.db2.gz SXCCIDMDBRCCAF-GOEBONIOSA-N 1 0 415.515 3.718 20 5 HHBDRO Cc1sc(S(=O)(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467051253 992360035 /nfs/dbraw/zinc/36/00/35/992360035.db2.gz NAUMTZXXGTVHKM-PBHICJAKSA-N 1 0 423.560 3.544 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000467227391 992550833 /nfs/dbraw/zinc/55/08/33/992550833.db2.gz WBIFYBGALKGFCT-AWEZNQCLSA-N 1 0 417.897 3.668 20 5 HHBDRO O=C1c2ccccc2CCN1CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467398120 992706868 /nfs/dbraw/zinc/70/68/68/992706868.db2.gz FMURVBJTAJPEPH-HSZRJFAPSA-N 1 0 401.466 3.972 20 5 HHBDRO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467584922 992860485 /nfs/dbraw/zinc/86/04/85/992860485.db2.gz WTZXWCXFOSYDJE-UHFFFAOYSA-N 1 0 421.856 3.661 20 5 HHBDRO CCC[C@@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000480755711 993621873 /nfs/dbraw/zinc/62/18/73/993621873.db2.gz HPBKWQOBFLUNQK-GOSISDBHSA-N 1 0 402.495 3.670 20 5 HHBDRO Cc1cccc([C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)N2CCOCC2)c1 ZINC000480781555 993648979 /nfs/dbraw/zinc/64/89/79/993648979.db2.gz VBKPLXKESQKLFZ-VWNXMTODSA-N 1 0 409.530 3.887 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1C ZINC000480989348 993830833 /nfs/dbraw/zinc/83/08/33/993830833.db2.gz YGYRARMIBPAYMM-CRAIPNDOSA-N 1 0 423.560 3.635 20 5 HHBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000481063897 993904688 /nfs/dbraw/zinc/90/46/88/993904688.db2.gz YURFZUAAWPSACQ-MAUKXSAKSA-N 1 0 423.560 3.635 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481170276 994001474 /nfs/dbraw/zinc/00/14/74/994001474.db2.gz OWXBNNTZJLEDFF-BEFAXECRSA-N 1 0 416.909 3.687 20 5 HHBDRO COc1ccc(NC(=O)C[N@H+](CC(C)C)[C@H]2CCCc3cccnc32)c([N+](=O)[O-])c1 ZINC000481326162 994145367 /nfs/dbraw/zinc/14/53/67/994145367.db2.gz APMPFSPBHSCYNS-IBGZPJMESA-N 1 0 412.490 3.973 20 5 HHBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000473523069 994378747 /nfs/dbraw/zinc/37/87/47/994378747.db2.gz RMBRZJSLEGNVMF-UHFFFAOYSA-N 1 0 417.453 3.608 20 5 HHBDRO O=C(Nc1cccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1)[C@@H]1CCCO1 ZINC000481568089 994403087 /nfs/dbraw/zinc/40/30/87/994403087.db2.gz JBIQCSIKZAPSJG-UNMCSNQZSA-N 1 0 409.486 3.823 20 5 HHBDRO O=C(NC[C@@H]1CCCO1)c1cccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000481580318 994419345 /nfs/dbraw/zinc/41/93/45/994419345.db2.gz XLXGLHYHIWDONK-VXKWHMMOSA-N 1 0 423.513 3.615 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000481768343 994619988 /nfs/dbraw/zinc/61/99/88/994619988.db2.gz HLXANARXPIQPEG-OAHLLOKOSA-N 1 0 407.474 3.776 20 5 HHBDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000481997408 994898959 /nfs/dbraw/zinc/89/89/59/994898959.db2.gz FBUIESNHEPHWNU-CYBMUJFWSA-N 1 0 416.421 3.608 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]Cc2c(C)c(C)c(C)c(C)c2C)cc1[N+](=O)[O-] ZINC000473992564 994981426 /nfs/dbraw/zinc/98/14/26/994981426.db2.gz FPRZLHCRDDPGTL-UHFFFAOYSA-N 1 0 400.475 3.979 20 5 HHBDRO CCC[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482109063 995056613 /nfs/dbraw/zinc/05/66/13/995056613.db2.gz IZMCRMRVIHWWBU-JOCHJYFZSA-N 1 0 410.518 3.765 20 5 HHBDRO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482280481 995259859 /nfs/dbraw/zinc/25/98/59/995259859.db2.gz BPGFCKZWWRPSAW-SFTDATJTSA-N 1 0 408.502 3.791 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482292661 995272011 /nfs/dbraw/zinc/27/20/11/995272011.db2.gz GQUDGYZFOBDVPW-UNMCSNQZSA-N 1 0 408.502 3.791 20 5 HHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482312896 995291170 /nfs/dbraw/zinc/29/11/70/995291170.db2.gz SIEVMLDLLCEIJJ-JTHBVZDNSA-N 1 0 422.529 3.833 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]CC(C)(C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000474347448 995327220 /nfs/dbraw/zinc/32/72/20/995327220.db2.gz GDJXRZZAUQPBSQ-UHFFFAOYSA-N 1 0 406.866 3.867 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]CC2(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000474350863 995330421 /nfs/dbraw/zinc/33/04/21/995330421.db2.gz CNILNIXQJHPUAJ-UHFFFAOYSA-N 1 0 404.850 3.621 20 5 HHBDRO COc1cc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000482616971 995613270 /nfs/dbraw/zinc/61/32/70/995613270.db2.gz NDKPZKCITAEQAZ-UHFFFAOYSA-N 1 0 409.389 3.827 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)NC3CC[NH+](C4CCCC4)CC3)cc2[N+](=O)[O-])C1 ZINC000482625918 995620400 /nfs/dbraw/zinc/62/04/00/995620400.db2.gz CHVPRMQSVIJRHP-KRWDZBQOSA-N 1 0 414.550 3.968 20 5 HHBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000482634695 995629176 /nfs/dbraw/zinc/62/91/76/995629176.db2.gz UOFXMTIVRQNOEU-UHFFFAOYSA-N 1 0 400.504 3.855 20 5 HHBDRO COc1ccc(OCC[NH+]2CCC(n3c(C)nc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000482875003 995808800 /nfs/dbraw/zinc/80/88/00/995808800.db2.gz KJNHULGARHUKAC-UHFFFAOYSA-N 1 0 410.474 3.977 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000483113549 995984115 /nfs/dbraw/zinc/98/41/15/995984115.db2.gz BBBNKXBMAMDZEQ-INIZCTEOSA-N 1 0 421.563 3.668 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1SC ZINC000475303835 996056855 /nfs/dbraw/zinc/05/68/55/996056855.db2.gz OOJNVIJBRLNIMS-INIZCTEOSA-N 1 0 415.515 3.672 20 5 HHBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000483253838 996062483 /nfs/dbraw/zinc/06/24/83/996062483.db2.gz LNERPIBZNDVQJW-INIZCTEOSA-N 1 0 404.772 3.969 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ncccc2O)cc1 ZINC000475339118 996078283 /nfs/dbraw/zinc/07/82/83/996078283.db2.gz ZOTYHOIXRKECST-UHFFFAOYSA-N 1 0 401.426 3.838 20 5 HHBDRO COc1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475355652 996086982 /nfs/dbraw/zinc/08/69/82/996086982.db2.gz WWDAIKVYCFMNLL-QFIPXVFZSA-N 1 0 400.475 3.919 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000475508332 996189730 /nfs/dbraw/zinc/18/97/30/996189730.db2.gz CQBBBXJXIVSUDG-UHFFFAOYSA-N 1 0 405.454 3.722 20 5 HHBDRO C[C@@H]1CCC[C@H]([N@H+](Cc2c([N+](=O)[O-])ncn2C)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000475524612 996201133 /nfs/dbraw/zinc/20/11/33/996201133.db2.gz ALWPWINLMBOWFM-INMHGKMJSA-N 1 0 400.479 3.884 20 5 HHBDRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000475555252 996216945 /nfs/dbraw/zinc/21/69/45/996216945.db2.gz PWMKSSLWPJLSSC-UHFFFAOYSA-N 1 0 412.364 3.797 20 5 HHBDRO CC(C)([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(OC(F)(F)F)cc1 ZINC000475690458 996303152 /nfs/dbraw/zinc/30/31/52/996303152.db2.gz KQOCXJPQNBXLRV-UHFFFAOYSA-N 1 0 423.391 3.907 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475700951 996308974 /nfs/dbraw/zinc/30/89/74/996308974.db2.gz KQAJHIZLNQFYPF-KRWDZBQOSA-N 1 0 416.499 3.761 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000475720733 996322422 /nfs/dbraw/zinc/32/24/22/996322422.db2.gz AWFOAFMRGGZUSA-KSSFIOAISA-N 1 0 402.422 3.869 20 5 HHBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000484058426 996546539 /nfs/dbraw/zinc/54/65/39/996546539.db2.gz ANIJPLGZUDBLEO-SFHVURJKSA-N 1 0 424.501 3.523 20 5 HHBDRO COc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000476129802 996620064 /nfs/dbraw/zinc/62/00/64/996620064.db2.gz CBHYOXYUNQOKSA-IHWFROFDSA-N 1 0 424.501 3.598 20 5 HHBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 ZINC000484224814 996645037 /nfs/dbraw/zinc/64/50/37/996645037.db2.gz ANHUSFYUWHRTBD-OAHLLOKOSA-N 1 0 416.909 3.932 20 5 HHBDRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000476447934 996920041 /nfs/dbraw/zinc/92/00/41/996920041.db2.gz IUISAEBQHSPAFM-UHFFFAOYSA-N 1 0 409.895 3.538 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2Oc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000484651840 996988782 /nfs/dbraw/zinc/98/87/82/996988782.db2.gz NUIBFGRXNIOCOO-TZIWHRDSSA-N 1 0 413.474 3.830 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000484914456 997289053 /nfs/dbraw/zinc/28/90/53/997289053.db2.gz IXDMYZZYAMFMNO-UHFFFAOYSA-N 1 0 420.579 3.655 20 5 HHBDRO CCOc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000484940847 997316697 /nfs/dbraw/zinc/31/66/97/997316697.db2.gz SICFRSYQEOTSGZ-PMACEKPBSA-N 1 0 409.486 3.588 20 5 HHBDRO CCNc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000484949319 997327609 /nfs/dbraw/zinc/32/76/09/997327609.db2.gz MUDXJZLEVLTXPO-WOJBJXKFSA-N 1 0 408.502 3.621 20 5 HHBDRO CCOc1cc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000476794895 997344466 /nfs/dbraw/zinc/34/44/66/997344466.db2.gz NRCMIAHGRWUWNA-ZBFHGGJFSA-N 1 0 408.499 3.586 20 5 HHBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485080654 997451012 /nfs/dbraw/zinc/45/10/12/997451012.db2.gz UDDCBOADTRSEHB-QGZVFWFLSA-N 1 0 405.401 3.763 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485165623 997548112 /nfs/dbraw/zinc/54/81/12/997548112.db2.gz GVTJCWMZDQGMHJ-VQIMIIECSA-N 1 0 408.502 3.810 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000477043930 997678941 /nfs/dbraw/zinc/67/89/41/997678941.db2.gz OBIDUZJQBHVPHL-WQIZZMQYSA-N 1 0 403.504 3.662 20 5 HHBDRO CCOC(=O)c1ccnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000477167269 997831905 /nfs/dbraw/zinc/83/19/05/997831905.db2.gz OBTYXAVJNCDJSR-INIZCTEOSA-N 1 0 404.511 3.647 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000485459144 997902983 /nfs/dbraw/zinc/90/29/83/997902983.db2.gz WKQBHIUWTUTZHH-GDBMZVCRSA-N 1 0 419.428 3.979 20 5 HHBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485770935 998245252 /nfs/dbraw/zinc/24/52/52/998245252.db2.gz KKKIRJNKCXGKBQ-INIZCTEOSA-N 1 0 419.428 3.790 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000485773603 998248375 /nfs/dbraw/zinc/24/83/75/998248375.db2.gz HEPCVCQXQIFVTE-UHFFFAOYSA-N 1 0 403.429 3.505 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)cc2)C1 ZINC000485824565 998291282 /nfs/dbraw/zinc/29/12/82/998291282.db2.gz ZSTGIPUGJQKTLL-HNNXBMFYSA-N 1 0 417.456 3.964 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000485843232 998308354 /nfs/dbraw/zinc/30/83/54/998308354.db2.gz JRXMIUPAAXULNM-HZPDHXFCSA-N 1 0 421.563 3.668 20 5 HHBDRO CSc1cccc(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000486233758 998665587 /nfs/dbraw/zinc/66/55/87/998665587.db2.gz QQUBFZNJDRNHCO-UHFFFAOYSA-N 1 0 403.504 3.577 20 5 HHBDRO COc1ccc([C@@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[NH+]2CCCC2)cc1 ZINC000486427247 998762030 /nfs/dbraw/zinc/76/20/30/998762030.db2.gz AZWMIWBLNRYKRC-LJQANCHMSA-N 1 0 409.446 3.902 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000486471272 998784243 /nfs/dbraw/zinc/78/42/43/998784243.db2.gz JFMAQYCZIFXMJE-CYBMUJFWSA-N 1 0 422.407 3.964 20 5 HHBDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000478357656 998913836 /nfs/dbraw/zinc/91/38/36/998913836.db2.gz QYDSZGUBBFUNOW-UHFFFAOYSA-N 1 0 410.243 3.923 20 5 HHBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CCOCC1 ZINC000486782033 998938098 /nfs/dbraw/zinc/93/80/98/998938098.db2.gz WFZOSYPTKFHFQQ-UHFFFAOYSA-N 1 0 415.515 3.587 20 5 HHBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486962085 999019603 /nfs/dbraw/zinc/01/96/03/999019603.db2.gz CIRFGCKSJPBFLN-UHFFFAOYSA-N 1 0 407.474 3.993 20 5 HHBDRO CCCC[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000486975860 999024594 /nfs/dbraw/zinc/02/45/94/999024594.db2.gz CAUKIMSBOGPWPN-UHFFFAOYSA-N 1 0 402.539 3.779 20 5 HHBDRO C[C@@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000478565155 999027123 /nfs/dbraw/zinc/02/71/23/999027123.db2.gz UELAFOGVCLCAIB-KGLIPLIRSA-N 1 0 416.444 3.652 20 5 HHBDRO C[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000478589936 999037208 /nfs/dbraw/zinc/03/72/08/999037208.db2.gz JXQDBBAVTABITJ-QWHCGFSZSA-N 1 0 403.401 3.529 20 5 HHBDRO C[NH+](C)C1(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCOCC1 ZINC000487722434 999265827 /nfs/dbraw/zinc/26/58/27/999265827.db2.gz RDFDIIUSNTYXKM-UHFFFAOYSA-N 1 0 415.515 3.587 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000479181245 999313474 /nfs/dbraw/zinc/31/34/74/999313474.db2.gz NKEIZNQPHIPUOE-UHFFFAOYSA-N 1 0 415.465 3.510 20 5 HHBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487913038 999313627 /nfs/dbraw/zinc/31/36/27/999313627.db2.gz NMXCXLPSSMMKRW-GOSISDBHSA-N 1 0 411.506 3.509 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000488663988 999563512 /nfs/dbraw/zinc/56/35/12/999563512.db2.gz HMZYSQBDWSFMQN-GOSISDBHSA-N 1 0 400.479 3.868 20 5 HHBDRO COc1cccc([C@H]2[C@@H](NC(=O)NCc3cccc([N+](=O)[O-])c3C)CC[N@@H+]2C2CC2)c1 ZINC000479751568 999571763 /nfs/dbraw/zinc/57/17/63/999571763.db2.gz TXSSWLAKZFZZMJ-UNMCSNQZSA-N 1 0 424.501 3.689 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000488824162 999619135 /nfs/dbraw/zinc/61/91/35/999619135.db2.gz ZHJUVBFNWXMYAR-MRXNPFEDSA-N 1 0 421.563 3.668 20 5 HHBDRO CCCCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000488894957 999639382 /nfs/dbraw/zinc/63/93/82/999639382.db2.gz ZGGXLQUCGDATIF-UHFFFAOYSA-N 1 0 405.495 3.875 20 5 HHBDRO COc1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc([N+](=O)[O-])c1C ZINC000479942834 999657119 /nfs/dbraw/zinc/65/71/19/999657119.db2.gz SLLBYSACGMLHJL-UHFFFAOYSA-N 1 0 401.488 3.713 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)C1CC1 ZINC000480085489 999713098 /nfs/dbraw/zinc/71/30/98/999713098.db2.gz LPQDLOGDWSQEEV-GMAHTHKFSA-N 1 0 413.493 3.718 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000480129245 999725097 /nfs/dbraw/zinc/72/50/97/999725097.db2.gz YLHPWGDAGHPADF-UHFFFAOYSA-N 1 0 423.517 3.933 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CC[N@H+](C)[C@H](C(C)C)C3)cc2[N+](=O)[O-])n1 ZINC000489333268 999747475 /nfs/dbraw/zinc/74/74/75/999747475.db2.gz GGUAZMMQFAUSBI-INIZCTEOSA-N 1 0 420.560 3.923 20 5 HHBDRO Cc1ccc(C[NH+]2CCCC2)cc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000489533113 999785963 /nfs/dbraw/zinc/78/59/63/999785963.db2.gz LETOFJCULUOWAA-UHFFFAOYSA-N 1 0 403.504 3.917 20 5 HHBDRO CC[C@H](NC(=O)N1CCC(OCC[NH+](CC)CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000489943977 999867423 /nfs/dbraw/zinc/86/74/23/999867423.db2.gz CWXGYQWJBKCDFQ-FQEVSTJZSA-N 1 0 406.527 3.578 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000489992123 999874364 /nfs/dbraw/zinc/87/43/64/999874364.db2.gz XPGMCWDPXXQESA-CQSZACIVSA-N 1 0 404.854 3.503 20 5 HHBDRO CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000490008636 999876724 /nfs/dbraw/zinc/87/67/24/999876724.db2.gz HMHOMWGUBKUUQE-LJQANCHMSA-N 1 0 419.485 3.517 20 5 HHBDRO COc1cc(CN2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491217406 1000055962 /nfs/dbraw/zinc/05/59/62/1000055962.db2.gz PGFLPPDZEUOVDW-UHFFFAOYSA-N 1 0 413.465 3.698 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000492654176 1000136898 /nfs/dbraw/zinc/13/68/98/1000136898.db2.gz NUZLHSYIVIQZTE-OAHLLOKOSA-N 1 0 417.428 3.616 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000492913125 1000149426 /nfs/dbraw/zinc/14/94/26/1000149426.db2.gz RCXCHHMSCGTOHH-QRVBRYPASA-N 1 0 405.539 3.554 20 5 HHBDRO COc1cc(NC2CC[NH+](Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)cc(OC)c1 ZINC000493012489 1000154415 /nfs/dbraw/zinc/15/44/15/1000154415.db2.gz YYVCKEZGKUEOQL-UHFFFAOYSA-N 1 0 401.463 3.697 20 5 HHBDRO O=[N+]([O-])c1cccc([C@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc2)c1 ZINC000493245502 1000164968 /nfs/dbraw/zinc/16/49/68/1000164968.db2.gz CKMLBBNTZFLTIV-RPBOFIJWSA-N 1 0 417.509 3.911 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000493923904 1000216249 /nfs/dbraw/zinc/21/62/49/1000216249.db2.gz FUODKCNWGGYKPK-PXNSSMCTSA-N 1 0 405.401 3.630 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(F)c1 ZINC000494130489 1000322838 /nfs/dbraw/zinc/32/28/38/1000322838.db2.gz JDOPROVDGJEYKY-GOSISDBHSA-N 1 0 414.462 3.890 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000504896522 1000434568 /nfs/dbraw/zinc/43/45/68/1000434568.db2.gz YJNNKBVWJHHDLV-WIYYLYMNSA-N 1 0 413.518 3.588 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504919950 1000448663 /nfs/dbraw/zinc/44/86/63/1000448663.db2.gz LXUWUBGKOWZQMV-IERDGZPVSA-N 1 0 417.481 3.857 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000504925828 1000452124 /nfs/dbraw/zinc/45/21/24/1000452124.db2.gz FQXFUKQFQUIUTA-INIZCTEOSA-N 1 0 423.560 3.506 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000494443950 1000495009 /nfs/dbraw/zinc/49/50/09/1000495009.db2.gz YFHJTCQWMOONSS-MRXNPFEDSA-N 1 0 414.481 3.675 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000494455847 1000501481 /nfs/dbraw/zinc/50/14/81/1000501481.db2.gz VROZWJPYUYMTRS-XLIONFOSSA-N 1 0 419.865 3.705 20 5 HHBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000494482898 1000517195 /nfs/dbraw/zinc/51/71/95/1000517195.db2.gz GPRAMTKCEIHEDN-LLVKDONJSA-N 1 0 417.409 3.836 20 5 HHBDRO CC(C)[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000494887198 1000712768 /nfs/dbraw/zinc/71/27/68/1000712768.db2.gz CHWWKNPHWQJARC-INIZCTEOSA-N 1 0 402.417 3.533 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000495180693 1000903409 /nfs/dbraw/zinc/90/34/09/1000903409.db2.gz AJKXSGQDLQMQEZ-IEBWSBKVSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000495180694 1000903449 /nfs/dbraw/zinc/90/34/49/1000903449.db2.gz AJKXSGQDLQMQEZ-MJGOQNOKSA-N 1 0 400.475 3.823 20 5 HHBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000505583959 1000920291 /nfs/dbraw/zinc/92/02/91/1000920291.db2.gz BSDUSDVRFIOTHD-SFHVURJKSA-N 1 0 403.429 3.711 20 5 HHBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])C2)C1 ZINC000505633508 1000945383 /nfs/dbraw/zinc/94/53/83/1000945383.db2.gz QCIXONLFRBRHDJ-HSZRJFAPSA-N 1 0 409.486 3.732 20 5 HHBDRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1[N+](=O)[O-] ZINC000495394825 1000998077 /nfs/dbraw/zinc/99/80/77/1000998077.db2.gz SPFOYGVRIFHTLX-KRWDZBQOSA-N 1 0 411.502 3.599 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000505778200 1001018558 /nfs/dbraw/zinc/01/85/58/1001018558.db2.gz RPJLYZYGEKJMME-UHFFFAOYSA-N 1 0 414.531 3.886 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000505925057 1001105159 /nfs/dbraw/zinc/10/51/59/1001105159.db2.gz NTQFVSYPRSFCDJ-ZWKOTPCHSA-N 1 0 411.506 3.507 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506468397 1001426331 /nfs/dbraw/zinc/42/63/31/1001426331.db2.gz DEPGGIUQOYCGIH-OKZBNKHCSA-N 1 0 418.538 3.517 20 5 HHBDRO Cc1c(NC(=O)CCN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506482368 1001433292 /nfs/dbraw/zinc/43/32/92/1001433292.db2.gz SPQXFGGJRFAQKH-HKUYNNGSSA-N 1 0 402.539 3.818 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)CC2)c1 ZINC000497576290 1001443114 /nfs/dbraw/zinc/44/31/14/1001443114.db2.gz FKRQGRLSQUUQKB-UHFFFAOYSA-N 1 0 422.529 3.607 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000498045210 1001620061 /nfs/dbraw/zinc/62/00/61/1001620061.db2.gz UJWDUSVWPZTCNA-FXAWDEMLSA-N 1 0 416.547 3.923 20 5 HHBDRO COC(=O)[C@H](C)C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000507098428 1001807274 /nfs/dbraw/zinc/80/72/74/1001807274.db2.gz QMRHUKOAYZUHNC-QGZVFWFLSA-N 1 0 422.485 3.807 20 5 HHBDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000507140866 1001832788 /nfs/dbraw/zinc/83/27/88/1001832788.db2.gz FJJRZDNHXBUCFE-UHFFFAOYSA-N 1 0 415.490 3.610 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507212230 1001901344 /nfs/dbraw/zinc/90/13/44/1001901344.db2.gz QULSNHMVHHFRBW-HXUWFJFHSA-N 1 0 423.513 3.562 20 5 HHBDRO Cc1c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cccc1[N+](=O)[O-] ZINC000507239433 1001924946 /nfs/dbraw/zinc/92/49/46/1001924946.db2.gz SJICSMOQKUENSC-HXUWFJFHSA-N 1 0 423.513 3.562 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C[C@@H](C)O1 ZINC000507297513 1001981168 /nfs/dbraw/zinc/98/11/68/1001981168.db2.gz BOMVNFRLLRVJRP-HUUCEWRRSA-N 1 0 417.893 3.787 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CC[N@@H+](C)CC[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000498713025 1002096300 /nfs/dbraw/zinc/09/63/00/1002096300.db2.gz ZNXWUURJBJQNJY-ZDUSSCGKSA-N 1 0 406.533 3.677 20 5 HHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507568664 1002172787 /nfs/dbraw/zinc/17/27/87/1002172787.db2.gz QFRIRXFFSJIKTM-MRXNPFEDSA-N 1 0 407.474 3.877 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NCC3(C)CC[NH+](C)CC3)cc2[N+](=O)[O-])n1 ZINC000507846876 1002385093 /nfs/dbraw/zinc/38/50/93/1002385093.db2.gz VMHKOUMBIYKSAV-UHFFFAOYSA-N 1 0 420.560 3.973 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000507935295 1002469367 /nfs/dbraw/zinc/46/93/67/1002469367.db2.gz WTXKIXQMEHUGFL-HXUWFJFHSA-N 1 0 419.909 3.810 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000508069273 1002590971 /nfs/dbraw/zinc/59/09/71/1002590971.db2.gz HTTWRNZLRMNJFH-UHFFFAOYSA-N 1 0 403.866 3.705 20 5 HHBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000508215594 1002746876 /nfs/dbraw/zinc/74/68/76/1002746876.db2.gz LCJRITVTEMSUQI-UHFFFAOYSA-N 1 0 400.317 3.860 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NC3(C[NH+](C)C)CCC3)cc2[N+](=O)[O-])n1 ZINC000508637891 1003087440 /nfs/dbraw/zinc/08/74/40/1003087440.db2.gz PLCATFDQFWOCLO-UHFFFAOYSA-N 1 0 406.533 3.725 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCCSCC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000508692689 1003131052 /nfs/dbraw/zinc/13/10/52/1003131052.db2.gz WZVXXDSNMAFRRY-UHFFFAOYSA-N 1 0 420.535 3.516 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000508985986 1003457384 /nfs/dbraw/zinc/45/73/84/1003457384.db2.gz ZNRYSDABZPWJQC-KRWDZBQOSA-N 1 0 412.538 3.871 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000509005955 1003477833 /nfs/dbraw/zinc/47/78/33/1003477833.db2.gz VYOBOWQJEPBTNK-IYBDPMFKSA-N 1 0 409.552 3.716 20 5 HHBDRO C[C@]1(C[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCOC1 ZINC000500290178 1003602679 /nfs/dbraw/zinc/60/26/79/1003602679.db2.gz MUUCRBAFGXZKNF-AZUAARDMSA-N 1 0 403.866 3.944 20 5 HHBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000500407943 1003697751 /nfs/dbraw/zinc/69/77/51/1003697751.db2.gz MIMLRMSDDHMIGJ-NRFANRHFSA-N 1 0 408.458 3.652 20 5 HHBDRO CCOc1ccc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000500429118 1003711089 /nfs/dbraw/zinc/71/10/89/1003711089.db2.gz ZYVAFNIYCDEDMG-IBGZPJMESA-N 1 0 413.474 3.569 20 5 HHBDRO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000509430825 1003856637 /nfs/dbraw/zinc/85/66/37/1003856637.db2.gz NEJXPFFYWHOMPV-GOSISDBHSA-N 1 0 421.453 3.624 20 5 HHBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000511979951 1003933928 /nfs/dbraw/zinc/93/39/28/1003933928.db2.gz AJOHTAJEGCJKTP-OAHLLOKOSA-N 1 0 416.909 3.884 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512230484 1004130533 /nfs/dbraw/zinc/13/05/33/1004130533.db2.gz UMBFVJIVPIGHNP-INIZCTEOSA-N 1 0 412.273 3.862 20 5 HHBDRO O=C(CC[NH+]1CCC2(CC1)OCCc1ccsc12)Nc1ccccc1[N+](=O)[O-] ZINC000501062378 1004164412 /nfs/dbraw/zinc/16/44/12/1004164412.db2.gz XXGYTYPLUFXEQQ-UHFFFAOYSA-N 1 0 401.488 3.549 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000509874673 1004169098 /nfs/dbraw/zinc/16/90/98/1004169098.db2.gz UTBSXBFUNWWUAH-OAHLLOKOSA-N 1 0 410.312 3.756 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000501075451 1004180289 /nfs/dbraw/zinc/18/02/89/1004180289.db2.gz IKAUXPJXVMJSQA-PKOBYXMFSA-N 1 0 424.284 3.820 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000509927612 1004212732 /nfs/dbraw/zinc/21/27/32/1004212732.db2.gz SXEUOKGLSVFMJM-INIZCTEOSA-N 1 0 411.506 3.577 20 5 HHBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000501215436 1004285930 /nfs/dbraw/zinc/28/59/30/1004285930.db2.gz YZLMHLUJRIPBPX-CJNGLKHVSA-N 1 0 408.886 3.812 20 5 HHBDRO COC(=O)c1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(C(=O)OC)c1 ZINC000501268533 1004324614 /nfs/dbraw/zinc/32/46/14/1004324614.db2.gz IRGUCAVISKKCDZ-UHFFFAOYSA-N 1 0 400.431 3.579 20 5 HHBDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000510193357 1004388315 /nfs/dbraw/zinc/38/83/15/1004388315.db2.gz QECWNQWECBMNFV-AOIWGVFYSA-N 1 0 400.475 3.816 20 5 HHBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(OC)c(OC)c1 ZINC000510199432 1004391885 /nfs/dbraw/zinc/39/18/85/1004391885.db2.gz MEKGECZLJFRQHP-QGZVFWFLSA-N 1 0 401.463 3.990 20 5 HHBDRO COc1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)ccc1[N+](=O)[O-] ZINC000512639010 1004451248 /nfs/dbraw/zinc/45/12/48/1004451248.db2.gz CEWJBRWZBKIRBC-UHFFFAOYSA-N 1 0 401.488 3.713 20 5 HHBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000512667924 1004477927 /nfs/dbraw/zinc/47/79/27/1004477927.db2.gz GXCINQJTKMBGRC-OALUTQOASA-N 1 0 412.534 3.845 20 5 HHBDRO COc1ccc(OCC[NH2+][C@H]2CCOc3c(Br)cccc32)c([N+](=O)[O-])c1 ZINC000501520696 1004485960 /nfs/dbraw/zinc/48/59/60/1004485960.db2.gz LMDASQUWCHOLSK-HNNXBMFYSA-N 1 0 423.263 3.858 20 5 HHBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000512857659 1004619443 /nfs/dbraw/zinc/61/94/43/1004619443.db2.gz SDPQKWNNWGGUCS-RHSMWYFYSA-N 1 0 423.560 3.521 20 5 HHBDRO CCOC(=O)c1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000510509205 1004631351 /nfs/dbraw/zinc/63/13/51/1004631351.db2.gz CUUOQDLDVGFZLC-QRWLVFNGSA-N 1 0 413.474 3.501 20 5 HHBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510519865 1004645052 /nfs/dbraw/zinc/64/50/52/1004645052.db2.gz CZOSCRAZNOXNHD-IIBYNOLFSA-N 1 0 407.474 3.510 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000501805130 1004746828 /nfs/dbraw/zinc/74/68/28/1004746828.db2.gz MSZFIYGIXICYRU-IRXDYDNUSA-N 1 0 407.474 3.740 20 5 HHBDRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000501998433 1004853781 /nfs/dbraw/zinc/85/37/81/1004853781.db2.gz YHMBOVPLUSBIJI-UHFFFAOYSA-N 1 0 417.897 3.582 20 5 HHBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000513216828 1004865943 /nfs/dbraw/zinc/86/59/43/1004865943.db2.gz HIQQVZUXGTUDSN-OAQYLSRUSA-N 1 0 422.529 3.592 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1SC ZINC000513259187 1004883283 /nfs/dbraw/zinc/88/32/83/1004883283.db2.gz AOEQIBXMOSQQTJ-MRXNPFEDSA-N 1 0 415.515 3.720 20 5 HHBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000510845052 1004887786 /nfs/dbraw/zinc/88/77/86/1004887786.db2.gz ULUQGEDDOGXKBC-UHFFFAOYSA-N 1 0 420.416 3.936 20 5 HHBDRO O=C([C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000513411965 1004952523 /nfs/dbraw/zinc/95/25/23/1004952523.db2.gz RTBXWJFMRQGOBG-QGZVFWFLSA-N 1 0 401.413 3.641 20 5 HHBDRO O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000510960894 1004955296 /nfs/dbraw/zinc/95/52/96/1004955296.db2.gz KZXKFGSZWGMZEJ-YADHBBJMSA-N 1 0 407.514 3.739 20 5 HHBDRO CC1CC[NH+](C2CCC(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC2)CC1 ZINC000502243177 1004974497 /nfs/dbraw/zinc/97/44/97/1004974497.db2.gz VGVXXCPZDTYRNO-UHFFFAOYSA-N 1 0 411.506 3.553 20 5 HHBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000511096106 1005017267 /nfs/dbraw/zinc/01/72/67/1005017267.db2.gz QRKUWGZZPPEJMB-QAPCUYQASA-N 1 0 421.906 3.553 20 5 HHBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000502487689 1005089717 /nfs/dbraw/zinc/08/97/17/1005089717.db2.gz VSRXKNHCQSXMPG-KRWDZBQOSA-N 1 0 400.504 3.809 20 5 HHBDRO CCCOc1cc(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c([N+](=O)[O-])cc1OCCC ZINC000511249320 1005090703 /nfs/dbraw/zinc/09/07/03/1005090703.db2.gz OHELXYLDSFLJKC-HNNXBMFYSA-N 1 0 420.510 3.944 20 5 HHBDRO Cn1ccnc1[C@@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000513718378 1005094938 /nfs/dbraw/zinc/09/49/38/1005094938.db2.gz XTUWXKRBWSNKNY-QFIPXVFZSA-N 1 0 419.529 3.844 20 5 HHBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513723563 1005097058 /nfs/dbraw/zinc/09/70/58/1005097058.db2.gz FSVOQWKEGXOZCG-UHFFFAOYSA-N 1 0 405.401 3.722 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000513786943 1005126761 /nfs/dbraw/zinc/12/67/61/1005126761.db2.gz PZYVDEQTQVQNBW-INIZCTEOSA-N 1 0 406.866 3.531 20 5 HHBDRO COc1cccc([C@H]2C[C@@H](O)C[N@@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000502807628 1005226348 /nfs/dbraw/zinc/22/63/48/1005226348.db2.gz GLKXNXDWLFTCTJ-UYAOXDASSA-N 1 0 409.442 3.609 20 5 HHBDRO COc1cccc([C@@H]2C[C@H](O)C[N@@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000502807626 1005226354 /nfs/dbraw/zinc/22/63/54/1005226354.db2.gz GLKXNXDWLFTCTJ-ICSRJNTNSA-N 1 0 409.442 3.609 20 5 HHBDRO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000511625465 1005249901 /nfs/dbraw/zinc/24/99/01/1005249901.db2.gz GXZPGWYGJYIBHS-UHFFFAOYSA-N 1 0 410.474 3.938 20 5 HHBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)CCNc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000502868837 1005251157 /nfs/dbraw/zinc/25/11/57/1005251157.db2.gz KUANFWDZIOYSAY-UHFFFAOYSA-N 1 0 411.506 3.566 20 5 HHBDRO C[C@@H]1C[C@@H](CCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000511642148 1005257236 /nfs/dbraw/zinc/25/72/36/1005257236.db2.gz GOMNWAJWFQTICQ-SJLPKXTDSA-N 1 0 417.531 3.711 20 5 HHBDRO CC[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000514093222 1005262132 /nfs/dbraw/zinc/26/21/32/1005262132.db2.gz IGNJQOSZXKFHRB-GGAORHGYSA-N 1 0 419.529 3.844 20 5 HHBDRO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502935373 1005282142 /nfs/dbraw/zinc/28/21/42/1005282142.db2.gz MGNGOJIHQACWRI-QGZVFWFLSA-N 1 0 412.490 3.971 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000514216133 1005317606 /nfs/dbraw/zinc/31/76/06/1005317606.db2.gz TXBMVGAAOXYIAW-GJZGRUSLSA-N 1 0 411.449 3.923 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000503855545 1005500895 /nfs/dbraw/zinc/50/08/95/1005500895.db2.gz LAKXDVJFXQQUSS-DOTOQJQBSA-N 1 0 415.515 3.695 20 5 HHBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])N[C@H]1CCOc2ccccc21 ZINC000503912075 1005510523 /nfs/dbraw/zinc/51/05/23/1005510523.db2.gz REPMPDSOMVJPKP-AHRSYUTCSA-N 1 0 409.486 3.536 20 5 HHBDRO CC(C)[NH+]1CCN(c2cccc(N[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000504394141 1005616779 /nfs/dbraw/zinc/61/67/79/1005616779.db2.gz LPHKDGDYVISAPX-QGZVFWFLSA-N 1 0 411.506 3.564 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534222764 1006217931 /nfs/dbraw/zinc/21/79/31/1006217931.db2.gz SUQVNRKTDDHOMP-XOBRGWDASA-N 1 0 421.856 3.575 20 5 HHBDRO COc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000534225276 1006221903 /nfs/dbraw/zinc/22/19/03/1006221903.db2.gz CSTJIAUFRMLEBU-IFXJQAMLSA-N 1 0 421.856 3.819 20 5 HHBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534359106 1006321813 /nfs/dbraw/zinc/32/18/13/1006321813.db2.gz FSVIIBYYSVSFDD-UXHICEINSA-N 1 0 422.957 3.657 20 5 HHBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000531681751 1006351516 /nfs/dbraw/zinc/35/15/16/1006351516.db2.gz HZRAJFPLDKWEPO-AWEZNQCLSA-N 1 0 411.549 3.646 20 5 HHBDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000531705822 1006367623 /nfs/dbraw/zinc/36/76/23/1006367623.db2.gz CQGDTMDEDQOXHL-HNAYVOBHSA-N 1 0 400.479 3.640 20 5 HHBDRO CN(c1ccccc1)c1ccc(CNC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000531759123 1006402531 /nfs/dbraw/zinc/40/25/31/1006402531.db2.gz GPASCISOVBWISD-VWNXMTODSA-N 1 0 424.545 3.830 20 5 HHBDRO COC(=O)CC1([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCOCC1 ZINC000531784308 1006425066 /nfs/dbraw/zinc/42/50/66/1006425066.db2.gz ZKKGMDMOCNCLJF-UHFFFAOYSA-N 1 0 418.421 3.728 20 5 HHBDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000531863118 1006484103 /nfs/dbraw/zinc/48/41/03/1006484103.db2.gz BXCPKPPBRLCBGL-HNNXBMFYSA-N 1 0 418.881 3.934 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[N@@H+]1Cc1ccccc1 ZINC000534517369 1006513146 /nfs/dbraw/zinc/51/31/46/1006513146.db2.gz IZLZNOSEEHXDFG-PXNSSMCTSA-N 1 0 408.502 3.716 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(CNC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)cs2)c1 ZINC000532015575 1006576817 /nfs/dbraw/zinc/57/68/17/1006576817.db2.gz DUYACFGFVRABEB-WOJBJXKFSA-N 1 0 416.547 3.576 20 5 HHBDRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000532119504 1006651730 /nfs/dbraw/zinc/65/17/30/1006651730.db2.gz OUQYVQFTVGLKHP-MRXNPFEDSA-N 1 0 418.881 3.934 20 5 HHBDRO C[C@H](CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[S@@](C)=O ZINC000532208387 1006722929 /nfs/dbraw/zinc/72/29/29/1006722929.db2.gz SQGDECOOJJVHKC-HYDGNGQDSA-N 1 0 412.515 3.694 20 5 HHBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c2c(c1)COCO2 ZINC000532242583 1006744522 /nfs/dbraw/zinc/74/45/22/1006744522.db2.gz LMAFMOSPBRYVQQ-CVDCTZTESA-N 1 0 423.513 3.948 20 5 HHBDRO COc1cc(C[NH2+]C[C@@](C)(O)C(F)(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000534828598 1006839454 /nfs/dbraw/zinc/83/94/54/1006839454.db2.gz KFPQLLWAQCWTEX-GOSISDBHSA-N 1 0 414.380 3.585 20 5 HHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000538573643 1006840442 /nfs/dbraw/zinc/84/04/42/1006840442.db2.gz HOLLUWHZBRJBCM-UHFFFAOYSA-N 1 0 409.552 3.670 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@]2(CCO)CCOC2)ccc1Oc1ccccc1Cl ZINC000532393988 1006841516 /nfs/dbraw/zinc/84/15/16/1006841516.db2.gz JDAIUSVHYZZDCM-FQEVSTJZSA-N 1 0 406.866 3.919 20 5 HHBDRO CN1CCN([C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c2cccs2)CC1 ZINC000532441748 1006885881 /nfs/dbraw/zinc/88/58/81/1006885881.db2.gz IFXBTTSGZJOVAX-TZIWHRDSSA-N 1 0 414.575 3.556 20 5 HHBDRO O=C(CC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000538664291 1006943749 /nfs/dbraw/zinc/94/37/49/1006943749.db2.gz NGVPXGDUJSEWIP-KRWDZBQOSA-N 1 0 420.473 3.588 20 5 HHBDRO O=C(CC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000538664292 1006943902 /nfs/dbraw/zinc/94/39/02/1006943902.db2.gz NGVPXGDUJSEWIP-QGZVFWFLSA-N 1 0 420.473 3.588 20 5 HHBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000532512066 1006949543 /nfs/dbraw/zinc/94/95/43/1006949543.db2.gz ZTMLDVUFDJLNER-WMZOPIPTSA-N 1 0 414.506 3.809 20 5 HHBDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532523588 1006961416 /nfs/dbraw/zinc/96/14/16/1006961416.db2.gz RFGCAWUWTUSPBS-INIZCTEOSA-N 1 0 414.506 3.665 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000538692555 1006970043 /nfs/dbraw/zinc/97/00/43/1006970043.db2.gz OPPITEAYJNPEMA-CQSZACIVSA-N 1 0 409.914 3.786 20 5 HHBDRO C[NH+](C)CCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000534951138 1006993854 /nfs/dbraw/zinc/99/38/54/1006993854.db2.gz NIRLHYYNPIAJJN-UHFFFAOYSA-N 1 0 410.833 3.540 20 5 HHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)n1 ZINC000516389641 1007056615 /nfs/dbraw/zinc/05/66/15/1007056615.db2.gz SYOAZWMCQNFVOX-SJORKVTESA-N 1 0 414.441 3.687 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532647805 1007065683 /nfs/dbraw/zinc/06/56/83/1007065683.db2.gz GFTATXUZKBMPEH-INIZCTEOSA-N 1 0 405.495 3.676 20 5 HHBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(-n4cnc5ccccc54)cc3)CC2)cn1 ZINC000535072193 1007091875 /nfs/dbraw/zinc/09/18/75/1007091875.db2.gz CAZKSMBTRNAEED-UHFFFAOYSA-N 1 0 414.469 3.651 20 5 HHBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000516503333 1007113269 /nfs/dbraw/zinc/11/32/69/1007113269.db2.gz RBMZJFGTBZNYTC-UHFFFAOYSA-N 1 0 411.458 3.992 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1C(F)(F)F ZINC000535232605 1007285938 /nfs/dbraw/zinc/28/59/38/1007285938.db2.gz GBDGOJIVCKKPND-YJBOKZPZSA-N 1 0 409.408 3.909 20 5 HHBDRO C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539042285 1007340239 /nfs/dbraw/zinc/34/02/39/1007340239.db2.gz YOONNMRLUVYZLG-CYBMUJFWSA-N 1 0 411.549 3.692 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000532976296 1007346878 /nfs/dbraw/zinc/34/68/78/1007346878.db2.gz DLBUXOLKNCSNRL-GDBMZVCRSA-N 1 0 401.438 3.949 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000539064470 1007357696 /nfs/dbraw/zinc/35/76/96/1007357696.db2.gz KNPZVYMRGPHWRI-RDJZCZTQSA-N 1 0 412.515 3.854 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000539068633 1007360172 /nfs/dbraw/zinc/36/01/72/1007360172.db2.gz DHTYDKDSDDAGSX-CYBMUJFWSA-N 1 0 422.279 3.743 20 5 HHBDRO O=C(Nc1ccccc1)c1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000533058566 1007421656 /nfs/dbraw/zinc/42/16/56/1007421656.db2.gz NZPVKKXDTAJCHL-HXUWFJFHSA-N 1 0 417.469 3.929 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1)CC(C)C ZINC000539136078 1007432403 /nfs/dbraw/zinc/43/24/03/1007432403.db2.gz XPIXEABNJUBNCR-UHFFFAOYSA-N 1 0 419.522 3.586 20 5 HHBDRO Cc1cccc(NC2CC[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)c1 ZINC000533071469 1007433679 /nfs/dbraw/zinc/43/36/79/1007433679.db2.gz HCCIVQGOKKRYOV-UHFFFAOYSA-N 1 0 410.474 3.778 20 5 HHBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000539251513 1007544210 /nfs/dbraw/zinc/54/42/10/1007544210.db2.gz UHNMOJVADPALPP-OAQYLSRUSA-N 1 0 411.502 3.879 20 5 HHBDRO CC(C)C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000539261516 1007556623 /nfs/dbraw/zinc/55/66/23/1007556623.db2.gz RDIVGDQLBQMCKB-DLBZAZTESA-N 1 0 400.401 3.548 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000517344170 1007582861 /nfs/dbraw/zinc/58/28/61/1007582861.db2.gz KORHKPFRZVKWGL-OAHLLOKOSA-N 1 0 411.458 3.628 20 5 HHBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000533275434 1007587604 /nfs/dbraw/zinc/58/76/04/1007587604.db2.gz ULUDMDSRJHHAPE-GOSISDBHSA-N 1 0 410.518 3.766 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000533292520 1007606363 /nfs/dbraw/zinc/60/63/63/1007606363.db2.gz OAUKJISXIZWSLE-INIZCTEOSA-N 1 0 416.909 3.783 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000533292521 1007606586 /nfs/dbraw/zinc/60/65/86/1007606586.db2.gz OAUKJISXIZWSLE-MRXNPFEDSA-N 1 0 416.909 3.783 20 5 HHBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000517398658 1007623788 /nfs/dbraw/zinc/62/37/88/1007623788.db2.gz SGQVVYQZQBIZRG-CHWSQXEVSA-N 1 0 403.401 3.529 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000539474797 1007786035 /nfs/dbraw/zinc/78/60/35/1007786035.db2.gz KIPNKRPQFLYBRA-GOSISDBHSA-N 1 0 401.463 3.527 20 5 HHBDRO COCC[N@H+](C)CC[C@H](NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)c1ccccc1 ZINC000535791567 1007796413 /nfs/dbraw/zinc/79/64/13/1007796413.db2.gz RTQFXAIGPPZNPM-FQEVSTJZSA-N 1 0 413.518 3.959 20 5 HHBDRO O=C(NC[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(F)c1 ZINC000533508103 1007823779 /nfs/dbraw/zinc/82/37/79/1007823779.db2.gz IMVUFJINMOELCY-QGZVFWFLSA-N 1 0 400.454 3.810 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(F)c1 ZINC000533508182 1007824433 /nfs/dbraw/zinc/82/44/33/1007824433.db2.gz PWHVCMZMUJTCDE-INIZCTEOSA-N 1 0 416.453 3.646 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000539515649 1007826456 /nfs/dbraw/zinc/82/64/56/1007826456.db2.gz QYRDGBCAOIICEK-QHCPKHFHSA-N 1 0 407.470 3.581 20 5 HHBDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539525825 1007833847 /nfs/dbraw/zinc/83/38/47/1007833847.db2.gz LDGKXBZMFLHKIX-GUNSETOZSA-N 1 0 412.515 3.694 20 5 HHBDRO CC1CC[NH+](C2CCC(NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)CC2)CC1 ZINC000536065332 1008093785 /nfs/dbraw/zinc/09/37/85/1008093785.db2.gz NOZINGAVJKXBOL-UHFFFAOYSA-N 1 0 400.523 3.706 20 5 HHBDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000539821567 1008115594 /nfs/dbraw/zinc/11/55/94/1008115594.db2.gz PVPHFIZYONNFPU-LJQANCHMSA-N 1 0 414.458 3.710 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCSC[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000539831983 1008125220 /nfs/dbraw/zinc/12/52/20/1008125220.db2.gz ONZQDDAOEDTOPH-HNNXBMFYSA-N 1 0 420.535 3.515 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000539885376 1008161453 /nfs/dbraw/zinc/16/14/53/1008161453.db2.gz JWGPWPFBZVOLDP-UHFFFAOYSA-N 1 0 411.502 3.977 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000533938444 1008219883 /nfs/dbraw/zinc/21/98/83/1008219883.db2.gz TWPXFYUDOCXKJE-KRWDZBQOSA-N 1 0 406.486 3.742 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1Cc1ccccc1 ZINC000533994526 1008254738 /nfs/dbraw/zinc/25/47/38/1008254738.db2.gz ONOYXFSASSWCKC-QFBILLFUSA-N 1 0 406.486 3.788 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NC[C@@H](C)C[NH+]3CCCC3)cc2[N+](=O)[O-])n1 ZINC000518356518 1008275092 /nfs/dbraw/zinc/27/50/92/1008275092.db2.gz MNDUZWTWCJXDQW-CYBMUJFWSA-N 1 0 420.560 3.973 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1)CC(C)C ZINC000540233624 1008346632 /nfs/dbraw/zinc/34/66/32/1008346632.db2.gz IZNJKHDBQPMJQJ-UHFFFAOYSA-N 1 0 419.522 3.586 20 5 HHBDRO COC1CC[NH+](C2(CNc3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])CCCC2)CC1 ZINC000518593009 1008359154 /nfs/dbraw/zinc/35/91/54/1008359154.db2.gz UZGWELPZPRLNJW-UHFFFAOYSA-N 1 0 418.538 3.569 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000540285604 1008367351 /nfs/dbraw/zinc/36/73/51/1008367351.db2.gz IPGGMHHFKMSVJZ-ZIFCJYIRSA-N 1 0 400.523 3.672 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000518638791 1008374975 /nfs/dbraw/zinc/37/49/75/1008374975.db2.gz IFHMYWQFFMUBRG-UHFFFAOYSA-N 1 0 414.481 3.538 20 5 HHBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 ZINC000540326789 1008381282 /nfs/dbraw/zinc/38/12/82/1008381282.db2.gz RZGIHGKXAOVLRO-OAHLLOKOSA-N 1 0 406.442 3.519 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)o1 ZINC000518768882 1008417194 /nfs/dbraw/zinc/41/71/94/1008417194.db2.gz JPDRLFYJNOYQGB-HXUWFJFHSA-N 1 0 407.470 3.845 20 5 HHBDRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3csc([N+](=O)[O-])c3)cc2)C[C@H]1C ZINC000540440372 1008435537 /nfs/dbraw/zinc/43/55/37/1008435537.db2.gz XOCLHNLKTZQKQQ-IYBDPMFKSA-N 1 0 417.531 3.595 20 5 HHBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000549105664 1008670459 /nfs/dbraw/zinc/67/04/59/1008670459.db2.gz FANFWTPERJIGHX-XLIONFOSSA-N 1 0 416.547 3.923 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(CCCn2ccnc2)CC1 ZINC000543096999 1008671722 /nfs/dbraw/zinc/67/17/22/1008671722.db2.gz HEMXEGNGVCHUDP-OAHLLOKOSA-N 1 0 420.897 3.931 20 5 HHBDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543183310 1008757805 /nfs/dbraw/zinc/75/78/05/1008757805.db2.gz NZYVNVGVWMJRKB-LJQANCHMSA-N 1 0 424.494 3.591 20 5 HHBDRO CC(C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000543183891 1008758556 /nfs/dbraw/zinc/75/85/56/1008758556.db2.gz IDNCAASOCQXQDF-CYBMUJFWSA-N 1 0 409.280 3.622 20 5 HHBDRO C[NH+](C)C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000549229613 1008799949 /nfs/dbraw/zinc/79/99/49/1008799949.db2.gz AKTJAELENYHVOK-IBGZPJMESA-N 1 0 404.898 3.859 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000549301210 1008876020 /nfs/dbraw/zinc/87/60/20/1008876020.db2.gz UDBVFJQVHJZBMX-LIRRHRJNSA-N 1 0 403.504 3.868 20 5 HHBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cc2)CC1 ZINC000549338409 1008916421 /nfs/dbraw/zinc/91/64/21/1008916421.db2.gz RTGIQEQOYUUPSD-UHFFFAOYSA-N 1 0 422.407 3.613 20 5 HHBDRO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000543399506 1008991745 /nfs/dbraw/zinc/99/17/45/1008991745.db2.gz QIBJMRPWCYXCCZ-UHFFFAOYSA-N 1 0 417.893 3.580 20 5 HHBDRO CCc1ccc([C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543399928 1008991969 /nfs/dbraw/zinc/99/19/69/1008991969.db2.gz PXDRLCPWMDTQCH-GAJHUEQPSA-N 1 0 413.518 3.930 20 5 HHBDRO C[C@H]1CC(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000519787392 1009006632 /nfs/dbraw/zinc/00/66/32/1009006632.db2.gz DCQMAAGAHIVDFO-RYUDHWBXSA-N 1 0 418.275 3.883 20 5 HHBDRO COc1ccc(C[NH+]2CCC(CNc3ncnc4cccc([N+](=O)[O-])c43)CC2)cc1 ZINC000543434918 1009024597 /nfs/dbraw/zinc/02/45/97/1009024597.db2.gz VICRONFRPNEKQB-UHFFFAOYSA-N 1 0 407.474 3.871 20 5 HHBDRO C[C@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543452328 1009036800 /nfs/dbraw/zinc/03/68/00/1009036800.db2.gz TTYFGUREVOLPDY-INIZCTEOSA-N 1 0 414.481 3.998 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000519891685 1009058144 /nfs/dbraw/zinc/05/81/44/1009058144.db2.gz NNKOJGSFMKMHFQ-WBVHZDCISA-N 1 0 421.494 3.580 20 5 HHBDRO C[C@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543525070 1009116358 /nfs/dbraw/zinc/11/63/58/1009116358.db2.gz UUSILWJWSUTGRJ-INIZCTEOSA-N 1 0 411.477 3.887 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000543635217 1009239588 /nfs/dbraw/zinc/23/95/88/1009239588.db2.gz OCBNCJFKTNWSQZ-HSZRJFAPSA-N 1 0 403.482 3.921 20 5 HHBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC4(CCC[N@@H+]4C)CC3)cc2[N+](=O)[O-])C1 ZINC000546267894 1009288189 /nfs/dbraw/zinc/28/81/89/1009288189.db2.gz OANDEYOFMPKIFS-ROUUACIJSA-N 1 0 414.550 3.778 20 5 HHBDRO CS(=O)(=O)Nc1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000520203180 1009339213 /nfs/dbraw/zinc/33/92/13/1009339213.db2.gz MTSOWZBAXAQZQQ-UHFFFAOYSA-N 1 0 417.512 3.985 20 5 HHBDRO COc1ccc2[nH]cc(C3=CC[N@H+](C[C@@H](O)COc4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000549761127 1009377264 /nfs/dbraw/zinc/37/72/64/1009377264.db2.gz FQEDVMWMCFACES-GOSISDBHSA-N 1 0 423.469 3.614 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000520311537 1009437582 /nfs/dbraw/zinc/43/75/82/1009437582.db2.gz NSCPFFUHZDYJKS-UHFFFAOYSA-N 1 0 420.469 3.551 20 5 HHBDRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000520311679 1009437762 /nfs/dbraw/zinc/43/77/62/1009437762.db2.gz UBZZETXBAXLUPT-GOSISDBHSA-N 1 0 420.469 3.633 20 5 HHBDRO Cc1cc(N2CCn3c(Cc4ccccc4)nnc3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543977439 1009578746 /nfs/dbraw/zinc/57/87/46/1009578746.db2.gz YAMDFSGATMVGSP-UHFFFAOYSA-N 1 0 400.442 3.654 20 5 HHBDRO O=C(CSc1ccccc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000544074489 1009679192 /nfs/dbraw/zinc/67/91/92/1009679192.db2.gz ZTVYDQPCOPNCJU-YQQQUEKLSA-N 1 0 411.527 3.999 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccsc1 ZINC000520675521 1009747546 /nfs/dbraw/zinc/74/75/46/1009747546.db2.gz UUJOLCCUIGKFFF-GOSISDBHSA-N 1 0 418.519 3.643 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544275637 1009893155 /nfs/dbraw/zinc/89/31/55/1009893155.db2.gz REPVQMKHAMZOFE-UHFFFAOYSA-N 1 0 423.922 3.636 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000550390745 1009901096 /nfs/dbraw/zinc/90/10/96/1009901096.db2.gz HBMZEGYDDKTCHU-KRWDZBQOSA-N 1 0 419.865 3.739 20 5 HHBDRO COc1cc(CNC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000520947912 1010000677 /nfs/dbraw/zinc/00/06/77/1010000677.db2.gz DGAAJBHTSOPNKH-UONOGXRCSA-N 1 0 419.444 3.755 20 5 HHBDRO CCc1ccc([C@H](NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544380882 1010005203 /nfs/dbraw/zinc/00/52/03/1010005203.db2.gz GIEGBTFSVKYIDB-MQSCRBSSSA-N 1 0 413.518 3.807 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000550546671 1010018105 /nfs/dbraw/zinc/01/81/05/1010018105.db2.gz QRJPZKGYRSUHJD-UHFFFAOYSA-N 1 0 422.279 3.858 20 5 HHBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000544491065 1010115128 /nfs/dbraw/zinc/11/51/28/1010115128.db2.gz OENDTEGMWDEAGV-SFHVURJKSA-N 1 0 421.563 3.718 20 5 HHBDRO C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccccc2)C1 ZINC000544570668 1010199862 /nfs/dbraw/zinc/19/98/62/1010199862.db2.gz QNKRPYFNHJKRDD-WDSOQIARSA-N 1 0 402.516 3.931 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H](C)c2ncc(C)s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000544617008 1010241756 /nfs/dbraw/zinc/24/17/56/1010241756.db2.gz JWICSZQRKYHKGK-SNVBAGLBSA-N 1 0 401.435 3.906 20 5 HHBDRO O=[N+]([O-])c1cc2c(cc1Cc1nc(-c3cccc(C[NH+]4CCCC4)c3)no1)OCCO2 ZINC000544662432 1010282346 /nfs/dbraw/zinc/28/23/46/1010282346.db2.gz DTNZCKYQZHDHJD-UHFFFAOYSA-N 1 0 422.441 3.603 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000521331187 1010310143 /nfs/dbraw/zinc/31/01/43/1010310143.db2.gz UKUBEMPGLUOYSW-UHFFFAOYSA-N 1 0 404.511 3.838 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 ZINC000521348011 1010322654 /nfs/dbraw/zinc/32/26/54/1010322654.db2.gz BMTGWTIZXHSNRA-XUZZJYLKSA-N 1 0 404.466 3.982 20 5 HHBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000544714909 1010322876 /nfs/dbraw/zinc/32/28/76/1010322876.db2.gz VMFDQJSZBKHISW-UHFFFAOYSA-N 1 0 417.531 3.590 20 5 HHBDRO COc1ccc(CSCC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000521499577 1010415191 /nfs/dbraw/zinc/41/51/91/1010415191.db2.gz YCYUECFCIXAYDD-IBGZPJMESA-N 1 0 417.531 3.564 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000521551864 1010457675 /nfs/dbraw/zinc/45/76/75/1010457675.db2.gz KIDUAQKSTJFAAU-CQSZACIVSA-N 1 0 416.503 3.604 20 5 HHBDRO CC[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCOC(C)(C)C1 ZINC000521692720 1010555566 /nfs/dbraw/zinc/55/55/66/1010555566.db2.gz BPYQGUXLGXHTAN-MRXNPFEDSA-N 1 0 418.519 3.936 20 5 HHBDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000548395090 1010612375 /nfs/dbraw/zinc/61/23/75/1010612375.db2.gz GTFQAKYEIYIYIX-CTNGQTDRSA-N 1 0 402.516 3.820 20 5 HHBDRO COc1ccc(-c2ccc(CN(CC[NH+](C)C)Cc3ccccn3)o2)c([N+](=O)[O-])c1 ZINC000521851963 1010661005 /nfs/dbraw/zinc/66/10/05/1010661005.db2.gz TZIFHIXWIJNLKJ-UHFFFAOYSA-N 1 0 410.474 3.822 20 5 HHBDRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000551616367 1010699712 /nfs/dbraw/zinc/69/97/12/1010699712.db2.gz YWPSGRUIWUNOJJ-OXJNMPFZSA-N 1 0 406.454 3.774 20 5 HHBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000545350399 1010744047 /nfs/dbraw/zinc/74/40/47/1010744047.db2.gz PWOHMJQARJBGPP-YADHBBJMSA-N 1 0 422.485 3.731 20 5 HHBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000522105791 1010815301 /nfs/dbraw/zinc/81/53/01/1010815301.db2.gz ZZTYPOSIZJPGHE-CQSZACIVSA-N 1 0 402.520 3.959 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000522107392 1010815689 /nfs/dbraw/zinc/81/56/89/1010815689.db2.gz QHAXFGDZFKTHDP-INIZCTEOSA-N 1 0 422.407 3.616 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000522243393 1010885110 /nfs/dbraw/zinc/88/51/10/1010885110.db2.gz MEWHADPDLFAMPB-UHFFFAOYSA-N 1 0 422.407 3.926 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000540601469 1011255728 /nfs/dbraw/zinc/25/57/28/1011255728.db2.gz HLYCOHSATPIZJM-FLIBITNWSA-N 1 0 415.515 3.572 20 5 HHBDRO Cc1ccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC000540626305 1011276267 /nfs/dbraw/zinc/27/62/67/1011276267.db2.gz VOQBFCBKKHJNBB-UHFFFAOYSA-N 1 0 401.463 3.560 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536172492 1011305605 /nfs/dbraw/zinc/30/56/05/1011305605.db2.gz GFHQLWCARNVXSU-IERDGZPVSA-N 1 0 406.486 3.645 20 5 HHBDRO O=C(C[N@@H+]1CCC[C@H]1C1CCOCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000540826296 1011490366 /nfs/dbraw/zinc/49/03/66/1011490366.db2.gz CGVCHDGLXKQEKJ-SFHVURJKSA-N 1 0 416.503 3.548 20 5 HHBDRO C[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540910484 1011581014 /nfs/dbraw/zinc/58/10/14/1011581014.db2.gz FEPDXVTZTRVKMT-PKOBYXMFSA-N 1 0 408.502 3.573 20 5 HHBDRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000540961717 1011603041 /nfs/dbraw/zinc/60/30/41/1011603041.db2.gz GEJFMCZYSMEKLX-APWZRJJASA-N 1 0 400.475 3.775 20 5 HHBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000523162893 1011644678 /nfs/dbraw/zinc/64/46/78/1011644678.db2.gz BYCKKQJWHQLHCW-AWEZNQCLSA-N 1 0 415.412 3.626 20 5 HHBDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541013247 1011648210 /nfs/dbraw/zinc/64/82/10/1011648210.db2.gz HFHYNQAFBJCJCA-UHFFFAOYSA-N 1 0 423.391 3.730 20 5 HHBDRO Cc1c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000536451097 1011669003 /nfs/dbraw/zinc/66/90/03/1011669003.db2.gz VUTDDSWMQBWISS-RTWAWAEBSA-N 1 0 417.554 3.704 20 5 HHBDRO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000536653639 1011802663 /nfs/dbraw/zinc/80/26/63/1011802663.db2.gz RNPUSZOXVSBQME-HXUWFJFHSA-N 1 0 411.502 3.853 20 5 HHBDRO CCC1(O)CC[NH+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000536659589 1011808182 /nfs/dbraw/zinc/80/81/82/1011808182.db2.gz QPOHKRXIHIVKCP-UHFFFAOYSA-N 1 0 400.475 3.919 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)CSc2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000541261544 1011948256 /nfs/dbraw/zinc/94/82/56/1011948256.db2.gz HPAOFADMRONPQG-AUUYWEPGSA-N 1 0 405.545 3.948 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000541280968 1011974267 /nfs/dbraw/zinc/97/42/67/1011974267.db2.gz ANHHCPBLRJNCFF-IRXDYDNUSA-N 1 0 420.893 3.779 20 5 HHBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cccc1[N+](=O)[O-] ZINC000551817996 1011975472 /nfs/dbraw/zinc/97/54/72/1011975472.db2.gz OJWOYIOEZFHVIA-NPMXOYFQSA-N 1 0 422.485 3.979 20 5 HHBDRO Cn1ccnc1[C@H](NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000552045938 1012065177 /nfs/dbraw/zinc/06/51/77/1012065177.db2.gz TYDHPEAAMKWFDD-WOJBJXKFSA-N 1 0 413.909 3.964 20 5 HHBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(-c3ccccc3[N+](=O)[O-])s1)CC2 ZINC000536843641 1012073490 /nfs/dbraw/zinc/07/34/90/1012073490.db2.gz DMIGPFDXZJESCO-KGLIPLIRSA-N 1 0 413.503 3.727 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000536883707 1012132091 /nfs/dbraw/zinc/13/20/91/1012132091.db2.gz ZTHVZYKUOKMNJE-INIZCTEOSA-N 1 0 419.485 3.776 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)C1 ZINC000523721280 1012332397 /nfs/dbraw/zinc/33/23/97/1012332397.db2.gz UWFDQPPEZCWUKP-RHSMWYFYSA-N 1 0 405.520 3.676 20 5 HHBDRO CCc1ccc([C@@H](NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549930 1012337317 /nfs/dbraw/zinc/33/73/17/1012337317.db2.gz LMHZCGSHUZCJAE-JKSBSHDWSA-N 1 0 401.507 3.929 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000537053780 1012381565 /nfs/dbraw/zinc/38/15/65/1012381565.db2.gz CZUDQTHESUYLHP-LBPRGKRZSA-N 1 0 416.865 3.886 20 5 HHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000523798066 1012457968 /nfs/dbraw/zinc/45/79/68/1012457968.db2.gz ATZCXNISDATZHM-UHFFFAOYSA-N 1 0 402.470 3.916 20 5 HHBDRO C[C@@H](NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1[N+](=O)[O-] ZINC000537097258 1012460227 /nfs/dbraw/zinc/46/02/27/1012460227.db2.gz HMDYTJUPEOTXQU-FGTMMUONSA-N 1 0 418.538 3.577 20 5 HHBDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000541663379 1012491428 /nfs/dbraw/zinc/49/14/28/1012491428.db2.gz VIFZGRCEIHUGGE-BZNIZROVSA-N 1 0 421.910 3.588 20 5 HHBDRO O=C(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000537132701 1012517864 /nfs/dbraw/zinc/51/78/64/1012517864.db2.gz MSYCMTSHEDJJGS-LIRRHRJNSA-N 1 0 403.866 3.944 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-c2cccnc2)cc1 ZINC000537133066 1012519081 /nfs/dbraw/zinc/51/90/81/1012519081.db2.gz CAOHFGQRHMVWBH-CQSZACIVSA-N 1 0 420.425 3.675 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000537150797 1012545466 /nfs/dbraw/zinc/54/54/66/1012545466.db2.gz SBVOBRARRVTCRV-UHFFFAOYSA-N 1 0 413.543 3.924 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541702424 1012552067 /nfs/dbraw/zinc/55/20/67/1012552067.db2.gz ZGEHMJXTHMHFKE-VQIMIIECSA-N 1 0 417.437 3.533 20 5 HHBDRO CCc1ccc([C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000523885443 1012587081 /nfs/dbraw/zinc/58/70/81/1012587081.db2.gz URYCEPHZNOVXKG-LJQANCHMSA-N 1 0 419.909 3.999 20 5 HHBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000523887345 1012589294 /nfs/dbraw/zinc/58/92/94/1012589294.db2.gz FJQNQCOXEDPPDJ-MRXNPFEDSA-N 1 0 407.854 3.563 20 5 HHBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000552680554 1012688910 /nfs/dbraw/zinc/68/89/10/1012688910.db2.gz XHVTWAHEEIJCKG-HKUYNNGSSA-N 1 0 400.523 3.530 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000541813924 1012700773 /nfs/dbraw/zinc/70/07/73/1012700773.db2.gz NBOPLARJCAOIOA-BEFAXECRSA-N 1 0 423.560 3.635 20 5 HHBDRO Cn1cc(C[NH2+]CCOc2ncc(Cl)cc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537323434 1012781928 /nfs/dbraw/zinc/78/19/28/1012781928.db2.gz GXTYIEYHATUUKG-UHFFFAOYSA-N 1 0 422.272 3.866 20 5 HHBDRO NC(=O)[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1Cl ZINC000537431964 1012919675 /nfs/dbraw/zinc/91/96/75/1012919675.db2.gz OJOKMDALIOVGAJ-OAHLLOKOSA-N 1 0 413.861 3.942 20 5 HHBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000524143566 1012928952 /nfs/dbraw/zinc/92/89/52/1012928952.db2.gz COWJTSABIMRBRA-HNNXBMFYSA-N 1 0 424.320 3.986 20 5 HHBDRO O=C(NCCCCC[NH+]1CCCCC1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570963688 1072525366 /nfs/dbraw/zinc/52/53/66/1072525366.db2.gz ZILZDQOBKAHXTE-UHFFFAOYSA-N 1 0 401.511 3.574 20 5 HHBDRO C[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571493306 1072640245 /nfs/dbraw/zinc/64/02/45/1072640245.db2.gz KTVREZYGBKCYSI-IERDGZPVSA-N 1 0 424.501 3.503 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1SC ZINC000571714334 1072701329 /nfs/dbraw/zinc/70/13/29/1072701329.db2.gz QTVATUJYDNRIEC-PBHICJAKSA-N 1 0 415.515 3.718 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000571811672 1072861973 /nfs/dbraw/zinc/86/19/73/1072861973.db2.gz YUFYJKKXCDZGMZ-GMVOTWDCSA-N 1 0 418.444 3.543 20 5 HHBDRO NC(=O)c1cccc(NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000571889918 1072866522 /nfs/dbraw/zinc/86/65/22/1072866522.db2.gz KZFXUYYHSJZUFZ-UHFFFAOYSA-N 1 0 402.882 3.671 20 5 HHBDRO COc1cc(C[NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])cc1O ZINC000760701860 1073195892 /nfs/dbraw/zinc/19/58/92/1073195892.db2.gz FSQYNWXADVZEQV-QFIPXVFZSA-N 1 0 424.453 3.711 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000588933388 1073349204 /nfs/dbraw/zinc/34/92/04/1073349204.db2.gz GGPVGHGGBGDUPT-CWTRNNRKSA-N 1 0 409.458 3.676 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000555605689 1073670510 /nfs/dbraw/zinc/67/05/10/1073670510.db2.gz JUILNRCIFJHEJS-KBXCAEBGSA-N 1 0 401.438 3.584 20 5 HHBDRO COc1cc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000555638428 1073692647 /nfs/dbraw/zinc/69/26/47/1073692647.db2.gz UZNBGTAHJAETNO-AOMKIAJQSA-N 1 0 400.475 3.823 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000555798082 1073841992 /nfs/dbraw/zinc/84/19/92/1073841992.db2.gz PJJIVLSHICOJHS-UHFFFAOYSA-N 1 0 422.279 3.858 20 5 HHBDRO O=C(Nc1ccccc1Nc1cc[nH+]cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000590537427 1073882945 /nfs/dbraw/zinc/88/29/45/1073882945.db2.gz AWMGVVWPJJJZGL-UHFFFAOYSA-N 1 0 400.398 3.593 20 5 HHBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccc([N+](=O)[O-])c1Br ZINC000760788605 1073959777 /nfs/dbraw/zinc/95/97/77/1073959777.db2.gz IGDAMHOZYGOKRV-UHFFFAOYSA-N 1 0 418.291 3.883 20 5 HHBDRO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000568067985 1074111064 /nfs/dbraw/zinc/11/10/64/1074111064.db2.gz NNJMCKJMXXZZIC-LJQANCHMSA-N 1 0 404.442 3.946 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000760812194 1074165351 /nfs/dbraw/zinc/16/53/51/1074165351.db2.gz JIOFNRKNEZOJPB-MJBXVCDLSA-N 1 0 410.312 3.835 20 5 HHBDRO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000760886694 1074514598 /nfs/dbraw/zinc/51/45/98/1074514598.db2.gz OVXRGOQKTOWBEV-LSDHHAIUSA-N 1 0 416.478 3.985 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000573726549 1074638725 /nfs/dbraw/zinc/63/87/25/1074638725.db2.gz VBBILYSMAXHLEQ-MLGOLLRUSA-N 1 0 414.380 3.856 20 5 HHBDRO C[C@@H]1[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000574665917 1075300729 /nfs/dbraw/zinc/30/07/29/1075300729.db2.gz OQEYWPNVINBYJN-UTKZUKDTSA-N 1 0 408.502 3.932 20 5 HHBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164627214 719067923 /nfs/dbraw/zinc/06/79/23/719067923.db2.gz PWKRWBLEKOVMLE-ZIAGYGMSSA-N 1 0 408.289 3.792 20 5 HHBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4ccc([N+](=O)[O-])cc42)CC3)cs1 ZINC001164692077 719807726 /nfs/dbraw/zinc/80/77/26/719807726.db2.gz FPLQPOWJGVBMLS-UHFFFAOYSA-N 1 0 424.530 3.938 20 5 HHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC[C@@H]21 ZINC001164839281 720539197 /nfs/dbraw/zinc/53/91/97/720539197.db2.gz PSRBYTSVSROREH-WFXMLNOXSA-N 1 0 420.517 3.717 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(Cl)cc([N+](=O)[O-])n1)CC2 ZINC001164845244 720681468 /nfs/dbraw/zinc/68/14/68/720681468.db2.gz XFNYPWFAICDMIN-SFHVURJKSA-N 1 0 416.909 3.903 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC001165026018 721805133 /nfs/dbraw/zinc/80/51/33/721805133.db2.gz PWKNTLHAFFHEIA-GTCCEBARSA-N 1 0 418.501 3.670 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)C[C@@H]21 ZINC001165025278 721816667 /nfs/dbraw/zinc/81/66/67/721816667.db2.gz MEMAMOJSRHPNNA-HHXXYDBFSA-N 1 0 406.490 3.603 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@@H]21 ZINC001165020724 721829806 /nfs/dbraw/zinc/82/98/06/721829806.db2.gz DNBXZYKDHOVTBY-XKGZKEIXSA-N 1 0 418.501 3.670 20 5 HHBDRO COc1cc(C)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164994566 722198631 /nfs/dbraw/zinc/19/86/31/722198631.db2.gz NYIGLRDPOXQUMX-NRFANRHFSA-N 1 0 400.454 3.691 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000301187580 970795536 /nfs/dbraw/zinc/79/55/36/970795536.db2.gz KSFJNXOMGTXJMF-ZDUSSCGKSA-N 1 0 402.373 3.977 20 5 HHBDRO Cc1cc(NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(Cl)cc1[N+](=O)[O-] ZINC000301460113 970939844 /nfs/dbraw/zinc/93/98/44/970939844.db2.gz YUONVLXHIABMDE-KRWDZBQOSA-N 1 0 416.909 3.866 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc4cc([N+](=O)[O-])ccc4n3)C2)cc(OC)c1 ZINC000301565354 970982282 /nfs/dbraw/zinc/98/22/82/970982282.db2.gz MCXRQWJPVUDPIK-QGZVFWFLSA-N 1 0 408.458 3.847 20 5 HHBDRO Cc1nc(Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)ccc1[N+](=O)[O-] ZINC000301638551 971011348 /nfs/dbraw/zinc/01/13/48/971011348.db2.gz LMFMKFDVCSWRNG-UHFFFAOYSA-N 1 0 404.474 3.759 20 5 HHBDRO Cc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c2cc(F)ccc2[nH+]1 ZINC000301653456 971016048 /nfs/dbraw/zinc/01/60/48/971016048.db2.gz HERFJVVXAMALBR-UHFFFAOYSA-N 1 0 400.435 3.614 20 5 HHBDRO CN1CCC(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)([NH+]2CCCCC2)CC1 ZINC000301835257 971080329 /nfs/dbraw/zinc/08/03/29/971080329.db2.gz UFMZWKGKKXNQPC-UHFFFAOYSA-N 1 0 400.445 3.976 20 5 HHBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301898850 971104681 /nfs/dbraw/zinc/10/46/81/971104681.db2.gz XGNZYCDDRDPKII-YJYMSZOUSA-N 1 0 420.872 3.852 20 5 HHBDRO O=[N+]([O-])c1cnc2ccc(N3CC[N@H+](Cc4ccccc4)C4(CCCCC4)C3)nn21 ZINC000301977883 971139695 /nfs/dbraw/zinc/13/96/95/971139695.db2.gz WRNGPJWDNBYISS-UHFFFAOYSA-N 1 0 406.490 3.663 20 5 HHBDRO Cc1cc(N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302055868 971164354 /nfs/dbraw/zinc/16/43/54/971164354.db2.gz ARMTXQZJFHWOCS-PKTZIBPZSA-N 1 0 404.470 3.541 20 5 HHBDRO Cc1cc(NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302184230 971200859 /nfs/dbraw/zinc/20/08/59/971200859.db2.gz OWNFCRNMMNJGJU-IBGZPJMESA-N 1 0 420.469 3.972 20 5 HHBDRO C[NH+](C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1cccc(C(F)(F)F)c1 ZINC000302230953 971213109 /nfs/dbraw/zinc/21/31/09/971213109.db2.gz XHUXJPCVHULXOL-INIZCTEOSA-N 1 0 424.379 3.659 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000524271237 1013082689 /nfs/dbraw/zinc/08/26/89/1013082689.db2.gz DQMRXUSRQZXUMT-UHFFFAOYSA-N 1 0 402.401 3.558 20 5 HHBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000303589117 971882121 /nfs/dbraw/zinc/88/21/21/971882121.db2.gz RJLVJHSPFFSCFF-QGZVFWFLSA-N 1 0 407.392 3.547 20 5 HHBDRO C[C@@H]1C[C@@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303723155 971977214 /nfs/dbraw/zinc/97/72/14/971977214.db2.gz BMHKWDYPMWFOHX-QUCCMNQESA-N 1 0 410.518 3.908 20 5 HHBDRO C[C@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+]1Cc1ccccc1 ZINC000303783729 972025368 /nfs/dbraw/zinc/02/53/68/972025368.db2.gz SXSDQOQQTFLFJK-UWJYYQICSA-N 1 0 411.502 3.946 20 5 HHBDRO CC[N@H+](CCC1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1)CC(C)C ZINC000553185456 1013144482 /nfs/dbraw/zinc/14/44/82/1013144482.db2.gz XMDKNWKSODBSFC-UHFFFAOYSA-N 1 0 401.511 3.828 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccccc1 ZINC000542211834 1013158794 /nfs/dbraw/zinc/15/87/94/1013158794.db2.gz SGTVEVCQUODPSA-AUUYWEPGSA-N 1 0 403.866 3.944 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000542248644 1013207774 /nfs/dbraw/zinc/20/77/74/1013207774.db2.gz USQXRMPLLKISFD-UHFFFAOYSA-N 1 0 406.527 3.647 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000010137014 961750023 /nfs/dbraw/zinc/75/00/23/961750023.db2.gz AIJHLQPROQORQU-SFHVURJKSA-N 1 0 415.515 3.892 20 5 HHBDRO C[NH+](C)Cc1cc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000542353510 1013310667 /nfs/dbraw/zinc/31/06/67/1013310667.db2.gz BJOAXAWDHBSSSA-UHFFFAOYSA-N 1 0 411.886 3.857 20 5 HHBDRO CCc1ccc([C@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[NH+](C)C)cc1 ZINC000011604019 962142358 /nfs/dbraw/zinc/14/23/58/962142358.db2.gz LWHGWJDUADFJNS-QHCPKHFHSA-N 1 0 424.545 3.793 20 5 HHBDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000015362013 962735847 /nfs/dbraw/zinc/73/58/47/962735847.db2.gz PGXQZMVUBOQBOH-UHFFFAOYSA-N 1 0 405.520 3.532 20 5 HHBDRO CC[N@H+](CCC1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000537849713 1013416830 /nfs/dbraw/zinc/41/68/30/1013416830.db2.gz OMNYGSRQLBPVHR-QGZVFWFLSA-N 1 0 402.539 3.756 20 5 HHBDRO O=[N+]([O-])c1cc2c(ncnc2NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000553567765 1013464054 /nfs/dbraw/zinc/46/40/54/1013464054.db2.gz KTBDKCQIJTZIRV-UHFFFAOYSA-N 1 0 401.414 3.817 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccsc1 ZINC000050561562 964354465 /nfs/dbraw/zinc/35/44/65/964354465.db2.gz WEYGIVAUMWQFNE-INIZCTEOSA-N 1 0 402.501 3.813 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000026263935 964509561 /nfs/dbraw/zinc/50/95/61/964509561.db2.gz CDNJODTUVGFISY-UHFFFAOYSA-N 1 0 410.474 3.583 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2cccc(Br)c2)C2CC2)c1 ZINC000026446958 964565243 /nfs/dbraw/zinc/56/52/43/964565243.db2.gz WKNSZVCPQJZXQZ-SFHVURJKSA-N 1 0 421.291 3.762 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000537949407 1013532083 /nfs/dbraw/zinc/53/20/83/1013532083.db2.gz DWDKWGZTJPUSKK-AABGKKOBSA-N 1 0 415.559 3.691 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000027574190 964922281 /nfs/dbraw/zinc/92/22/81/964922281.db2.gz AJHNBUUZAGXLTD-KRWDZBQOSA-N 1 0 403.504 3.868 20 5 HHBDRO COc1cc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000553668775 1013534474 /nfs/dbraw/zinc/53/44/74/1013534474.db2.gz YCOBXTJSYKLJLF-FQEVSTJZSA-N 1 0 415.490 3.732 20 5 HHBDRO O=C(CC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000052873089 965009637 /nfs/dbraw/zinc/00/96/37/965009637.db2.gz HLDJRPKJNQCMRE-UHFFFAOYSA-N 1 0 417.412 3.797 20 5 HHBDRO O=[N+]([O-])c1ccc2nc(N3CCN([C@@H]4CC[N@H+](Cc5ccccc5)C4)CC3)ccc2c1 ZINC000553676513 1013539961 /nfs/dbraw/zinc/53/99/61/1013539961.db2.gz KJGFPAKPOUSHBU-JOCHJYFZSA-N 1 0 417.513 3.540 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000028840083 965197784 /nfs/dbraw/zinc/19/77/84/965197784.db2.gz KTQKHETVNORKMJ-IBGZPJMESA-N 1 0 405.882 3.826 20 5 HHBDRO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000053644204 965238002 /nfs/dbraw/zinc/23/80/02/965238002.db2.gz KCUXEQISYADPOW-LJQANCHMSA-N 1 0 403.410 3.778 20 5 HHBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000054286357 965461163 /nfs/dbraw/zinc/46/11/63/965461163.db2.gz KQFPXZDNQNXUOI-CYBMUJFWSA-N 1 0 417.428 3.776 20 5 HHBDRO CC[N@H+](CCC1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)CC(C)C ZINC000538004435 1013578387 /nfs/dbraw/zinc/57/83/87/1013578387.db2.gz LYZXBAMVQIAFQS-UHFFFAOYSA-N 1 0 411.568 3.583 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000030001675 965591213 /nfs/dbraw/zinc/59/12/13/965591213.db2.gz GQJWLDAJKUFCDN-GJZGRUSLSA-N 1 0 400.435 3.724 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000031000403 965855988 /nfs/dbraw/zinc/85/59/88/965855988.db2.gz BBFIYWMLTVBNSW-LJQANCHMSA-N 1 0 405.882 3.826 20 5 HHBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000553774325 1013604617 /nfs/dbraw/zinc/60/46/17/1013604617.db2.gz IPGRXUOIZXLRBB-AJYBTWMASA-N 1 0 414.550 3.776 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000059286460 966009476 /nfs/dbraw/zinc/00/94/76/966009476.db2.gz VNCYGOVZGRBFJP-ROUUACIJSA-N 1 0 411.502 3.768 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000060063769 966056050 /nfs/dbraw/zinc/05/60/50/966056050.db2.gz ACPDSPSSSHDISH-SFHVURJKSA-N 1 0 403.504 3.868 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000553796101 1013620953 /nfs/dbraw/zinc/62/09/53/1013620953.db2.gz LOESEQNHKGYDJQ-JOCHJYFZSA-N 1 0 411.458 3.564 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000055870072 966111226 /nfs/dbraw/zinc/11/12/26/966111226.db2.gz ICUMMDNOAVHPCX-IAGOWNOFSA-N 1 0 412.490 3.563 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-])c1ccccn1 ZINC000055996688 966175921 /nfs/dbraw/zinc/17/59/21/966175921.db2.gz VOZAXDJJRJSUDY-RYGJVYDSSA-N 1 0 409.490 3.520 20 5 HHBDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000060505849 966179246 /nfs/dbraw/zinc/17/92/46/966179246.db2.gz JWTISMGKWNYHIR-UHFFFAOYSA-N 1 0 405.520 3.532 20 5 HHBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032048994 966183329 /nfs/dbraw/zinc/18/33/29/966183329.db2.gz FITHKUPAGMWCNZ-UHFFFAOYSA-N 1 0 419.485 3.696 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000056154197 966237020 /nfs/dbraw/zinc/23/70/20/966237020.db2.gz MZLROVHWPXFIGZ-UONOGXRCSA-N 1 0 417.462 3.607 20 5 HHBDRO CCOc1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000032516448 966276623 /nfs/dbraw/zinc/27/66/23/966276623.db2.gz IHMIFHAWZOBRHZ-LJQANCHMSA-N 1 0 413.474 3.569 20 5 HHBDRO CCOc1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000032762120 966324478 /nfs/dbraw/zinc/32/44/78/966324478.db2.gz ZMHNXRXNQAGQMB-INIZCTEOSA-N 1 0 419.503 3.631 20 5 HHBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000060920753 966326827 /nfs/dbraw/zinc/32/68/27/966326827.db2.gz KFIWAURYDMXLNS-UHFFFAOYSA-N 1 0 417.531 3.590 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCCN2CCOCC2)cc1 ZINC000061002817 966348286 /nfs/dbraw/zinc/34/82/86/966348286.db2.gz GQMSFCMPWOHTBP-UHFFFAOYSA-N 1 0 405.882 3.852 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NCc3cccc(C[NH+](C)C)c3)cc2[N+](=O)[O-])CC1 ZINC000033083844 966367476 /nfs/dbraw/zinc/36/74/76/966367476.db2.gz XZCNMPSCEOMERP-UHFFFAOYSA-N 1 0 410.518 3.823 20 5 HHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000033223000 966395549 /nfs/dbraw/zinc/39/55/49/966395549.db2.gz IZVQTXIJSFTEEJ-UHFFFAOYSA-N 1 0 407.474 3.552 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCn2ccnc2)cc1 ZINC000061554941 966500352 /nfs/dbraw/zinc/50/03/52/966500352.db2.gz PVVFDKQHPYSAAX-UHFFFAOYSA-N 1 0 402.458 3.824 20 5 HHBDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000061568932 966504248 /nfs/dbraw/zinc/50/42/48/966504248.db2.gz SWJQGEQCKFQIHJ-UHFFFAOYSA-N 1 0 414.531 3.873 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000062046467 966606785 /nfs/dbraw/zinc/60/67/85/966606785.db2.gz NHZYBNBBYVJOBH-QGZVFWFLSA-N 1 0 424.501 3.533 20 5 HHBDRO C[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+](C2CCC2)C1 ZINC000553863599 1013664560 /nfs/dbraw/zinc/66/45/60/1013664560.db2.gz ZSSBSGPEHVTHLY-CQSZACIVSA-N 1 0 400.504 3.665 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000041886361 966660411 /nfs/dbraw/zinc/66/04/11/966660411.db2.gz YVOAMDJATDYDEZ-VMPITWQZSA-N 1 0 408.502 3.563 20 5 HHBDRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000542763250 1013668162 /nfs/dbraw/zinc/66/81/62/1013668162.db2.gz OOXZTXBCGBCYSE-UHFFFAOYSA-N 1 0 404.467 3.969 20 5 HHBDRO COc1ccc(C[NH+]2CCC(CNc3nc4sccn4c3[N+](=O)[O-])CC2)cc1 ZINC000063282536 966801218 /nfs/dbraw/zinc/80/12/18/966801218.db2.gz LIDAZBKTFAQXKR-UHFFFAOYSA-N 1 0 401.492 3.637 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521951 967225009 /nfs/dbraw/zinc/22/50/09/967225009.db2.gz IWSGNHVQYZMKES-KRWDZBQOSA-N 1 0 416.547 3.877 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000044802651 967293051 /nfs/dbraw/zinc/29/30/51/967293051.db2.gz RXKKTJBPTYVERO-NEPJUHHUSA-N 1 0 409.389 3.883 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000538152328 1013712776 /nfs/dbraw/zinc/71/27/76/1013712776.db2.gz ZDQITJUSUBVYLL-OAHLLOKOSA-N 1 0 410.474 3.931 20 5 HHBDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OC(C)C ZINC000538153249 1013713611 /nfs/dbraw/zinc/71/36/11/1013713611.db2.gz RFLSRLJTANCUHB-HNNXBMFYSA-N 1 0 401.463 3.988 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000064931440 967328615 /nfs/dbraw/zinc/32/86/15/967328615.db2.gz DMJNNWVSOXNLEX-UHFFFAOYSA-N 1 0 415.334 3.705 20 5 HHBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000045182036 967370779 /nfs/dbraw/zinc/37/07/79/967370779.db2.gz KYVRKFKUBJYHNQ-UHFFFAOYSA-N 1 0 402.882 3.712 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OCC ZINC000538166358 1013726952 /nfs/dbraw/zinc/72/69/52/1013726952.db2.gz UBMXUZPXXFLJOC-OAHLLOKOSA-N 1 0 401.463 3.990 20 5 HHBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000542891919 1013736999 /nfs/dbraw/zinc/73/69/99/1013736999.db2.gz YJOCLXXBCJSEJH-UHFFFAOYSA-N 1 0 405.401 3.939 20 5 HHBDRO Cc1cccc(COc2ccc([C@H](C)[NH2+]CCn3cc([N+](=O)[O-])ccc3=O)cc2)c1 ZINC000538201122 1013756493 /nfs/dbraw/zinc/75/64/93/1013756493.db2.gz HRYBQTVOPWPNQV-SFHVURJKSA-N 1 0 407.470 3.995 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1OC ZINC000542915727 1013755037 /nfs/dbraw/zinc/75/50/37/1013755037.db2.gz NDAWTUZVAODFEQ-DLBZAZTESA-N 1 0 416.522 3.826 20 5 HHBDRO CC(C)(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000538200149 1013755487 /nfs/dbraw/zinc/75/54/87/1013755487.db2.gz VEWFSVJOELWZQE-JKSUJKDBSA-N 1 0 400.401 3.548 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1OC ZINC000046935704 968014301 /nfs/dbraw/zinc/01/43/01/968014301.db2.gz SXXAPJZJAKHAAC-UHFFFAOYSA-N 1 0 415.490 3.772 20 5 HHBDRO CC(C)Oc1ccc([C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000554039563 1013768759 /nfs/dbraw/zinc/76/87/59/1013768759.db2.gz RTBSIEBTNQKTSZ-HXUWFJFHSA-N 1 0 417.531 3.893 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000047373436 968162568 /nfs/dbraw/zinc/16/25/68/968162568.db2.gz POLBOQVUROLFPL-QGZVFWFLSA-N 1 0 411.506 3.928 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccc(CNc3nc4sccn4c3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000047511385 968217629 /nfs/dbraw/zinc/21/76/29/968217629.db2.gz KTAJDOQSVLZODD-ZIAGYGMSSA-N 1 0 401.492 3.525 20 5 HHBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047864698 968345951 /nfs/dbraw/zinc/34/59/51/968345951.db2.gz VPRSNAYDANBJPF-CQSZACIVSA-N 1 0 406.389 3.592 20 5 HHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000554096414 1013796114 /nfs/dbraw/zinc/79/61/14/1013796114.db2.gz YPFTUKAFOIMNRF-GOEBONIOSA-N 1 0 401.429 3.839 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000538271627 1013811002 /nfs/dbraw/zinc/81/10/02/1013811002.db2.gz JEMNEXWSLGANJK-HZPDHXFCSA-N 1 0 409.552 3.715 20 5 HHBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[C@H](C)C1 ZINC000554129107 1013812252 /nfs/dbraw/zinc/81/22/52/1013812252.db2.gz YYWAKLWYBIAKTE-LVCYWYKZSA-N 1 0 414.550 3.633 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000538277498 1013816407 /nfs/dbraw/zinc/81/64/07/1013816407.db2.gz QWFWPQWHMKVCAE-MRXNPFEDSA-N 1 0 412.490 3.883 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccccc1C[NH+]1CCCCC1 ZINC000065841513 968676826 /nfs/dbraw/zinc/67/68/26/968676826.db2.gz WGQIYYBTCBDDEG-UHFFFAOYSA-N 1 0 406.486 3.852 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066000680 968764343 /nfs/dbraw/zinc/76/43/43/968764343.db2.gz RZMQMLSFCONMLO-GJZGRUSLSA-N 1 0 423.560 3.613 20 5 HHBDRO C[N@H+](Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000066001407 968765282 /nfs/dbraw/zinc/76/52/82/968765282.db2.gz FSALANVTNLKHOG-UHFFFAOYSA-N 1 0 423.560 3.899 20 5 HHBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000071892200 968882766 /nfs/dbraw/zinc/88/27/66/968882766.db2.gz QWPQHRWUIPFMLJ-LJQANCHMSA-N 1 0 403.866 3.580 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000071990468 968921879 /nfs/dbraw/zinc/92/18/79/968921879.db2.gz SZNQFZRHPCVANL-UHFFFAOYSA-N 1 0 417.531 3.614 20 5 HHBDRO CC1CC[NH+]([C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000072006495 968928816 /nfs/dbraw/zinc/92/88/16/968928816.db2.gz ZFLKFWVQUPCPIE-FQEVSTJZSA-N 1 0 412.446 3.706 20 5 HHBDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000072050758 968959402 /nfs/dbraw/zinc/95/94/02/968959402.db2.gz TZRDYCQIYNTVKN-UHFFFAOYSA-N 1 0 410.474 3.909 20 5 HHBDRO CC(C)C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH2+][C@@H](C)c1ccccc1 ZINC000554181255 1013840548 /nfs/dbraw/zinc/84/05/48/1013840548.db2.gz CIKLCUZPDIWKKZ-DOTOQJQBSA-N 1 0 409.490 3.966 20 5 HHBDRO CC[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000538311428 1013842805 /nfs/dbraw/zinc/84/28/05/1013842805.db2.gz UZCQLEWOUNAMEX-JOCHJYFZSA-N 1 0 419.529 3.922 20 5 HHBDRO CC1CC[NH+](Cc2ccc(CNC(=O)CCNc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000105808935 969264268 /nfs/dbraw/zinc/26/42/68/969264268.db2.gz YSOAGFYKNJFWSB-UHFFFAOYSA-N 1 0 410.518 3.945 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000108015705 969351437 /nfs/dbraw/zinc/35/14/37/969351437.db2.gz FVDBTXCUNSLAID-HDICACEKSA-N 1 0 402.539 3.683 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000108015709 969351526 /nfs/dbraw/zinc/35/15/26/969351526.db2.gz FVDBTXCUNSLAID-ROUUACIJSA-N 1 0 402.539 3.683 20 5 HHBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000109480871 969522710 /nfs/dbraw/zinc/52/27/10/969522710.db2.gz YSMVMKXONJVREH-MRXNPFEDSA-N 1 0 414.893 3.827 20 5 HHBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000109827230 969573228 /nfs/dbraw/zinc/57/32/28/969573228.db2.gz OXTVLXXPWXEIGY-DLBZAZTESA-N 1 0 411.506 3.623 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000109847379 969576814 /nfs/dbraw/zinc/57/68/14/969576814.db2.gz XKFBPJRYUGLRPP-MRXNPFEDSA-N 1 0 414.481 3.675 20 5 HHBDRO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000110289354 969649031 /nfs/dbraw/zinc/64/90/31/969649031.db2.gz ZHLFRVAILWWAAB-UHFFFAOYSA-N 1 0 411.502 3.990 20 5 HHBDRO COc1ccc([C@H](C)[NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c(C)c1OC ZINC000554294694 1013897382 /nfs/dbraw/zinc/89/73/82/1013897382.db2.gz SMXWNLHNGVCZKP-AWEZNQCLSA-N 1 0 415.446 3.569 20 5 HHBDRO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000110798217 969724808 /nfs/dbraw/zinc/72/48/08/969724808.db2.gz FZOKTBVUVKMEEJ-UHFFFAOYSA-N 1 0 421.501 3.989 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1C ZINC000111049138 969766892 /nfs/dbraw/zinc/76/68/92/969766892.db2.gz AJKHRMDDUCDBTA-INIZCTEOSA-N 1 0 405.520 3.619 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000116415005 969892198 /nfs/dbraw/zinc/89/21/98/969892198.db2.gz WUPDHKIRXUOOAQ-UHFFFAOYSA-N 1 0 420.263 3.583 20 5 HHBDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000209738961 970023263 /nfs/dbraw/zinc/02/32/63/970023263.db2.gz DJTYHPBYKYCCDD-WTKPLQERSA-N 1 0 400.866 3.652 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000139958176 970056045 /nfs/dbraw/zinc/05/60/45/970056045.db2.gz NRTHNRFTXISEAF-MRXNPFEDSA-N 1 0 412.515 3.639 20 5 HHBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000236796484 970173349 /nfs/dbraw/zinc/17/33/49/970173349.db2.gz VNSCKNZVSCJGOJ-AWEZNQCLSA-N 1 0 414.300 3.750 20 5 HHBDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236874310 970182989 /nfs/dbraw/zinc/18/29/89/970182989.db2.gz PYRKMUSFCRGFJO-QGZVFWFLSA-N 1 0 421.501 3.842 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@]2(C)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237150988 970232138 /nfs/dbraw/zinc/23/21/38/970232138.db2.gz GXIBVUBNKWRLOS-FGZHOGPDSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1cc(C[NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)ccn1 ZINC000237256803 970249462 /nfs/dbraw/zinc/24/94/62/970249462.db2.gz GLJJCWIFRBTEDJ-UHFFFAOYSA-N 1 0 409.442 3.876 20 5 HHBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@H](O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237282438 970254875 /nfs/dbraw/zinc/25/48/75/970254875.db2.gz QTMKGDSMTODILA-PXNSSMCTSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237316981 970261656 /nfs/dbraw/zinc/26/16/56/970261656.db2.gz VIVPUHROEGJOQD-RTWAWAEBSA-N 1 0 411.502 3.899 20 5 HHBDRO CSC[C@@H](CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237361109 970269658 /nfs/dbraw/zinc/26/96/58/970269658.db2.gz KAPXPBYUOVJDIW-LLVKDONJSA-N 1 0 415.309 3.821 20 5 HHBDRO CSC[C@@](C)(O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237363619 970270338 /nfs/dbraw/zinc/27/03/38/970270338.db2.gz YUBMZBVGKBMQHH-NRFANRHFSA-N 1 0 412.515 3.651 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237376420 970273522 /nfs/dbraw/zinc/27/35/22/970273522.db2.gz WBMPZCUTTXMENH-GOSISDBHSA-N 1 0 408.458 3.553 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]CCCNC(=O)c3cccs3)o2)c([N+](=O)[O-])c1 ZINC000237426420 970283998 /nfs/dbraw/zinc/28/39/98/970283998.db2.gz NXAMHUXIHNQUSH-UHFFFAOYSA-N 1 0 415.471 3.835 20 5 HHBDRO COc1ccc([C@@H](C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000237495864 970302266 /nfs/dbraw/zinc/30/22/66/970302266.db2.gz WSGLSLFUZWQDIF-HSZRJFAPSA-N 1 0 413.518 3.890 20 5 HHBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000146794150 970309733 /nfs/dbraw/zinc/30/97/33/970309733.db2.gz QNUSUXOZTNIQNL-UHFFFAOYSA-N 1 0 415.943 3.525 20 5 HHBDRO Cc1nccn1-c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1F ZINC000237651094 970330610 /nfs/dbraw/zinc/33/06/10/970330610.db2.gz QBYAQLXSHNOQBI-UHFFFAOYSA-N 1 0 420.448 3.918 20 5 HHBDRO Cn1cc(C[NH2+]Cc2ccnc(N3CCCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237781879 970365770 /nfs/dbraw/zinc/36/57/70/970365770.db2.gz DGBJZSABCXGFIQ-UHFFFAOYSA-N 1 0 406.490 3.670 20 5 HHBDRO Cn1cc(C[NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237785577 970366977 /nfs/dbraw/zinc/36/69/77/970366977.db2.gz QTRHISHZKFKJRT-LJQANCHMSA-N 1 0 409.465 3.893 20 5 HHBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1 ZINC000237859207 970383518 /nfs/dbraw/zinc/38/35/18/970383518.db2.gz VWVYQTCMUWBVFG-UHFFFAOYSA-N 1 0 421.476 3.745 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2cccnc2N2CCOCC2)s1 ZINC000237960387 970406470 /nfs/dbraw/zinc/40/64/70/970406470.db2.gz BQJDEEZNILPASX-UHFFFAOYSA-N 1 0 410.499 3.845 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCOC[C@H]2CCCO2)cc1 ZINC000237999487 970415364 /nfs/dbraw/zinc/41/53/64/970415364.db2.gz PACIQVOFNRVAIT-JOCHJYFZSA-N 1 0 422.485 3.733 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000150211887 970435116 /nfs/dbraw/zinc/43/51/16/970435116.db2.gz DOUNMZKKXGEOHG-QGZVFWFLSA-N 1 0 403.504 3.975 20 5 HHBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000261416957 970665535 /nfs/dbraw/zinc/66/55/35/970665535.db2.gz MWMAKIDTGFKFCA-AWEZNQCLSA-N 1 0 404.898 3.930 20 5 HHBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000301109346 970752940 /nfs/dbraw/zinc/75/29/40/970752940.db2.gz NJFOUUDJBYJLGQ-QGZVFWFLSA-N 1 0 408.502 3.690 20 5 HHBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(Br)c1 ZINC000382197728 972784709 /nfs/dbraw/zinc/78/47/09/972784709.db2.gz ZKTPMJRHWXQNRN-JKSUJKDBSA-N 1 0 417.307 3.711 20 5 HHBDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000410033182 973511538 /nfs/dbraw/zinc/51/15/38/973511538.db2.gz IDFWGRCTWDMAOZ-UHFFFAOYSA-N 1 0 407.474 3.878 20 5 HHBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H]1C ZINC000426265571 974357100 /nfs/dbraw/zinc/35/71/00/974357100.db2.gz HRJBMDBLVBHMFT-DOMZBBRYSA-N 1 0 402.417 3.628 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426268025 974358647 /nfs/dbraw/zinc/35/86/47/974358647.db2.gz PCVDGZKNTLEQLG-UHFFFAOYSA-N 1 0 424.423 3.887 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)o2)c1 ZINC000426827901 974692616 /nfs/dbraw/zinc/69/26/16/974692616.db2.gz XMTNBKXHGCSHFB-FQEVSTJZSA-N 1 0 415.490 3.842 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426897365 974738698 /nfs/dbraw/zinc/73/86/98/974738698.db2.gz OWXFPUUWKAFYGJ-OAHLLOKOSA-N 1 0 423.391 3.627 20 5 HHBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc2ccccc2c2cccnc12 ZINC000427100596 974904064 /nfs/dbraw/zinc/90/40/64/974904064.db2.gz LZGYKIQLQNPKIZ-GOTSBHOMSA-N 1 0 403.526 3.886 20 5 HHBDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000427297930 975033656 /nfs/dbraw/zinc/03/36/56/975033656.db2.gz XZEHWAAEOJKOHZ-IYBDPMFKSA-N 1 0 423.941 3.529 20 5 HHBDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000428475150 975773408 /nfs/dbraw/zinc/77/34/08/975773408.db2.gz BMFYASWTLJUVSO-BHMZLHOFSA-N 1 0 415.515 3.841 20 5 HHBDRO Cc1ccc(NC(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000429217838 976511551 /nfs/dbraw/zinc/51/15/51/976511551.db2.gz UDLHZXIYXSNOAT-IRXDYDNUSA-N 1 0 404.511 3.646 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@H]2Cc3cccc(O)c3C2)cc1OC ZINC000429295099 976574916 /nfs/dbraw/zinc/57/49/16/976574916.db2.gz AICBDKRFZJFNHD-YOEHRIQHSA-N 1 0 400.475 3.991 20 5 HHBDRO C[C@H]([NH2+][C@H]1Cc2cccc(O)c2C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000429311212 976583571 /nfs/dbraw/zinc/58/35/71/976583571.db2.gz YJJGTPGTWABZSE-WFASDCNBSA-N 1 0 424.482 3.508 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000430425546 977538252 /nfs/dbraw/zinc/53/82/52/977538252.db2.gz LPIRLYZIZFBHLV-MRXNPFEDSA-N 1 0 413.474 3.952 20 5 HHBDRO C[C@H](CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000430632238 977661796 /nfs/dbraw/zinc/66/17/96/977661796.db2.gz WYKBOUQDUPLFEG-CQSZACIVSA-N 1 0 420.307 3.998 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000430668402 977680266 /nfs/dbraw/zinc/68/02/66/977680266.db2.gz RJFOLXLYLXRGIK-MJGOQNOKSA-N 1 0 419.485 3.563 20 5 HHBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000430817763 977775075 /nfs/dbraw/zinc/77/50/75/977775075.db2.gz VXRKMFNQIGEHRS-WOJBJXKFSA-N 1 0 416.566 3.828 20 5 HHBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000430861058 977819398 /nfs/dbraw/zinc/81/93/98/977819398.db2.gz AFWAJDHCLXRULC-GCJKJVERSA-N 1 0 408.502 3.763 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000430900006 977867188 /nfs/dbraw/zinc/86/71/88/977867188.db2.gz LLOLPIKJXGFXBP-UHFFFAOYSA-N 1 0 410.518 3.961 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430911937 977881103 /nfs/dbraw/zinc/88/11/03/977881103.db2.gz JLXMIDJUBNRNIU-INIZCTEOSA-N 1 0 418.291 3.752 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000431055441 977984074 /nfs/dbraw/zinc/98/40/74/977984074.db2.gz IDCBEKALTFEJCO-RDJZCZTQSA-N 1 0 420.469 3.632 20 5 HHBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000432333863 978765044 /nfs/dbraw/zinc/76/50/44/978765044.db2.gz IAFRKCNLKBPFBB-PXAZEXFGSA-N 1 0 404.264 3.813 20 5 HHBDRO CCc1ccc([C@H](NCCC[N@@H+]2CCCO[C@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000432428331 978808438 /nfs/dbraw/zinc/80/84/38/978808438.db2.gz KDIAUQFWCUVBBF-VGOFRKELSA-N 1 0 401.507 3.930 20 5 HHBDRO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433160806 979107442 /nfs/dbraw/zinc/10/74/42/979107442.db2.gz PTQXKOGRAXUQCD-HXUWFJFHSA-N 1 0 417.531 3.794 20 5 HHBDRO CC1(C)C[C@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433230164 979163774 /nfs/dbraw/zinc/16/37/74/979163774.db2.gz UBHPMZCMAITEQJ-FQEVSTJZSA-N 1 0 415.515 3.647 20 5 HHBDRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433250992 979183149 /nfs/dbraw/zinc/18/31/49/979183149.db2.gz ZWLXCBRXJREDRG-UWJYYQICSA-N 1 0 409.534 3.513 20 5 HHBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)c([N+](=O)[O-])c1 ZINC000433312624 979230318 /nfs/dbraw/zinc/23/03/18/979230318.db2.gz RNHPFVTXWMTGKM-CQSZACIVSA-N 1 0 418.291 3.521 20 5 HHBDRO CC(C)c1n[nH]c(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000433751971 979547583 /nfs/dbraw/zinc/54/75/83/979547583.db2.gz SENQIJGARKSLPH-UHFFFAOYSA-N 1 0 419.913 3.737 20 5 HHBDRO CC(C)c1n[nH]c(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000433833803 979612737 /nfs/dbraw/zinc/61/27/37/979612737.db2.gz PLGHIHIBCCFEPB-HOTGVXAUSA-N 1 0 413.522 3.849 20 5 HHBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000434310717 980070787 /nfs/dbraw/zinc/07/07/87/980070787.db2.gz CKCZAHUWVPWRQX-KRWDZBQOSA-N 1 0 411.487 3.861 20 5 HHBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000434446704 980186024 /nfs/dbraw/zinc/18/60/24/980186024.db2.gz QQOHNOCZIDCRIZ-OAHLLOKOSA-N 1 0 411.452 3.706 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434694349 980344469 /nfs/dbraw/zinc/34/44/69/980344469.db2.gz RQWYJQMIRYOISK-UHFFFAOYSA-N 1 0 411.506 3.644 20 5 HHBDRO COc1ccc(-c2ccc(C[N@H+](C)C3CCN(c4cnccn4)CC3)o2)c([N+](=O)[O-])c1 ZINC000435027376 980581527 /nfs/dbraw/zinc/58/15/27/980581527.db2.gz FPBCCDNIEULYQB-UHFFFAOYSA-N 1 0 423.473 3.754 20 5 HHBDRO Cc1c(NC(=O)NC2CC[NH+](CC(C)C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435323218 980781800 /nfs/dbraw/zinc/78/18/00/980781800.db2.gz KOVRPIFVIJGPAY-UHFFFAOYSA-N 1 0 413.316 3.908 20 5 HHBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000435323700 980782436 /nfs/dbraw/zinc/78/24/36/980782436.db2.gz OPKYMTHPUACKTJ-CYBMUJFWSA-N 1 0 413.316 3.861 20 5 HHBDRO Cc1c(NC(=O)NCC(C)(C)C[NH+]2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435327975 980786658 /nfs/dbraw/zinc/78/66/58/980786658.db2.gz JQBVMDJTWSOKGC-UHFFFAOYSA-N 1 0 413.316 3.909 20 5 HHBDRO Cc1c(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435330535 980788836 /nfs/dbraw/zinc/78/88/36/980788836.db2.gz UFXXOOOWGRVSEE-ZDUSSCGKSA-N 1 0 411.300 3.615 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435623464 980966010 /nfs/dbraw/zinc/96/60/10/980966010.db2.gz VGYUCNPZPLVNKN-UHFFFAOYSA-N 1 0 422.485 3.963 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)Cc1ccccc1 ZINC000435826694 981048450 /nfs/dbraw/zinc/04/84/50/981048450.db2.gz MWXNLEDSMIEXGW-KRWDZBQOSA-N 1 0 417.484 3.723 20 5 HHBDRO COc1cccc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1[N+](=O)[O-] ZINC000436038025 981173488 /nfs/dbraw/zinc/17/34/88/981173488.db2.gz KMAAASNUVXVYGA-UHFFFAOYSA-N 1 0 409.486 3.732 20 5 HHBDRO C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[N@@H+]1CCCC[C@@H]1C ZINC000436098548 981199217 /nfs/dbraw/zinc/19/92/17/981199217.db2.gz KEFBLHNIPRIWIT-UONOGXRCSA-N 1 0 413.468 3.952 20 5 HHBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436134157 981213974 /nfs/dbraw/zinc/21/39/74/981213974.db2.gz PHKQADULJOMKBP-UONOGXRCSA-N 1 0 413.468 3.810 20 5 HHBDRO Cn1cc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000436408013 981352763 /nfs/dbraw/zinc/35/27/63/981352763.db2.gz LRJKXBZFHWTJIY-YJBOKZPZSA-N 1 0 412.412 3.569 20 5 HHBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448218790 981633583 /nfs/dbraw/zinc/63/35/83/981633583.db2.gz WAHGKIQTGURALT-NQIIRXRSSA-N 1 0 400.523 3.576 20 5 HHBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000437188072 981844231 /nfs/dbraw/zinc/84/42/31/981844231.db2.gz ZEZCVCCRYYICGY-ZHALLVOQSA-N 1 0 402.539 3.633 20 5 HHBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460240500 982018149 /nfs/dbraw/zinc/01/81/49/982018149.db2.gz SNRYEJWDHKTWHR-KRWDZBQOSA-N 1 0 406.490 3.584 20 5 HHBDRO Cc1c(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000437739712 982329529 /nfs/dbraw/zinc/32/95/29/982329529.db2.gz ALXXIISGOTZGRU-UHFFFAOYSA-N 1 0 410.474 3.509 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000437976350 982501623 /nfs/dbraw/zinc/50/16/23/982501623.db2.gz HSPYVUJOUNFONS-XLIONFOSSA-N 1 0 408.502 3.932 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)CC2)c1 ZINC000438137981 982608247 /nfs/dbraw/zinc/60/82/47/982608247.db2.gz UCYPDZVOOSVGLE-UHFFFAOYSA-N 1 0 422.529 3.607 20 5 HHBDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000438262586 982687199 /nfs/dbraw/zinc/68/71/99/982687199.db2.gz SINWTLPFFCHUES-OAHLLOKOSA-N 1 0 405.882 3.539 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)cc2[N+](=O)[O-])C1 ZINC000461264608 982970712 /nfs/dbraw/zinc/97/07/12/982970712.db2.gz OZZBXPZLTSHTFB-HKUYNNGSSA-N 1 0 402.539 3.778 20 5 HHBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461272302 982977080 /nfs/dbraw/zinc/97/70/80/982977080.db2.gz PCEDDUKNDJIACI-OAHLLOKOSA-N 1 0 416.444 3.748 20 5 HHBDRO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000461441330 983105401 /nfs/dbraw/zinc/10/54/01/983105401.db2.gz GAFCNTLNAATHSY-UHOSZYNNSA-N 1 0 411.477 3.818 20 5 HHBDRO CC1CC[NH+](Cc2ccc(CNc3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)cc2)CC1 ZINC000439100687 983249663 /nfs/dbraw/zinc/24/96/63/983249663.db2.gz OTPQWFUXRBUCLW-UHFFFAOYSA-N 1 0 407.474 4.088 20 5 HHBDRO Cc1c(CC(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000439286024 983345492 /nfs/dbraw/zinc/34/54/92/983345492.db2.gz KTQKBNSYJJRQPW-FQEVSTJZSA-N 1 0 419.485 3.728 20 5 HHBDRO COc1cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000439779295 983535329 /nfs/dbraw/zinc/53/53/29/983535329.db2.gz HKYKSOZAVBRHIB-WGSAOQKQSA-N 1 0 400.475 3.918 20 5 HHBDRO COc1ccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000439786954 983539054 /nfs/dbraw/zinc/53/90/54/983539054.db2.gz JIVRGWQNMCAFKV-KESTWPANSA-N 1 0 400.475 3.918 20 5 HHBDRO COc1cc(C(=O)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)cc([N+](=O)[O-])c1OC ZINC000439986334 983606143 /nfs/dbraw/zinc/60/61/43/983606143.db2.gz CXQJQMNPLGTSPQ-UHFFFAOYSA-N 1 0 419.522 3.585 20 5 HHBDRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2c2cccnc12 ZINC000440518029 983782997 /nfs/dbraw/zinc/78/29/97/983782997.db2.gz IZGQWXRVDOHPNH-SANMLTNESA-N 1 0 411.505 3.755 20 5 HHBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000440537363 983787815 /nfs/dbraw/zinc/78/78/15/983787815.db2.gz JQADYEQIYYYXTC-FQEVSTJZSA-N 1 0 411.502 3.734 20 5 HHBDRO COc1ccc([C@H]2CCC[N@@H+]2CCOc2ccc(OC)cc2[N+](=O)[O-])c(OC)c1 ZINC000441249846 984137921 /nfs/dbraw/zinc/13/79/21/984137921.db2.gz PIKPECYYJFGFSF-GOSISDBHSA-N 1 0 402.447 3.837 20 5 HHBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000441404955 984234858 /nfs/dbraw/zinc/23/48/58/984234858.db2.gz UYUNVNGNNQPAPT-INIZCTEOSA-N 1 0 402.422 3.716 20 5 HHBDRO C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000461704965 984721545 /nfs/dbraw/zinc/72/15/45/984721545.db2.gz RPRYRUSPNOLPHY-LBPRGKRZSA-N 1 0 404.433 3.508 20 5 HHBDRO Cc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461781392 984776866 /nfs/dbraw/zinc/77/68/66/984776866.db2.gz SHVMTZNAEPGPFG-UHFFFAOYSA-N 1 0 401.429 3.861 20 5 HHBDRO CCn1cc(C[N@@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)CC2)cn1 ZINC000461951702 984947481 /nfs/dbraw/zinc/94/74/81/984947481.db2.gz YFKDXMDWARCDCZ-UHFFFAOYSA-N 1 0 411.428 3.851 20 5 HHBDRO Cc1cc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461956381 984949310 /nfs/dbraw/zinc/94/93/10/984949310.db2.gz NCQROJHOTQHKMY-HNNXBMFYSA-N 1 0 400.445 3.528 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000462158038 985131637 /nfs/dbraw/zinc/13/16/37/985131637.db2.gz KCINCRDIJOEVDK-FZKQIMNGSA-N 1 0 418.291 3.608 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000462164263 985140184 /nfs/dbraw/zinc/14/01/84/985140184.db2.gz ZNCJWIUFKODGHK-CYBMUJFWSA-N 1 0 422.334 3.541 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000462175461 985154378 /nfs/dbraw/zinc/15/43/78/985154378.db2.gz JWKGGXHFPQGHOR-CXAGYDPISA-N 1 0 407.392 3.864 20 5 HHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000443205660 985442072 /nfs/dbraw/zinc/44/20/72/985442072.db2.gz DOZFCDFISSETQZ-KVSKMBFKSA-N 1 0 419.522 3.521 20 5 HHBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000468006060 985657514 /nfs/dbraw/zinc/65/75/14/985657514.db2.gz SGEVNQMJHUSILK-QGZVFWFLSA-N 1 0 417.531 3.663 20 5 HHBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1CCOc1ccccc1 ZINC000462727023 985673855 /nfs/dbraw/zinc/67/38/55/985673855.db2.gz VOFIHSASCIMMMF-SFHVURJKSA-N 1 0 421.453 3.624 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000462777659 985713490 /nfs/dbraw/zinc/71/34/90/985713490.db2.gz NQZBCHGICMUVSK-MJGOQNOKSA-N 1 0 410.518 3.900 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1OC ZINC000468164109 985840998 /nfs/dbraw/zinc/84/09/98/985840998.db2.gz KIKGXFAATZUQRU-YCRPNKLZSA-N 1 0 415.490 3.732 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1OC ZINC000468164108 985841174 /nfs/dbraw/zinc/84/11/74/985841174.db2.gz KIKGXFAATZUQRU-VFNWGFHPSA-N 1 0 415.490 3.732 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000462984598 985932895 /nfs/dbraw/zinc/93/28/95/985932895.db2.gz BUENKAYVGSNHBO-BBTUJRGHSA-N 1 0 417.550 3.511 20 5 HHBDRO CN1CCC(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000463071391 986028436 /nfs/dbraw/zinc/02/84/36/986028436.db2.gz RBLNDQXBKGAHEB-UHFFFAOYSA-N 1 0 400.445 3.976 20 5 HHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000468377539 986076582 /nfs/dbraw/zinc/07/65/82/986076582.db2.gz AOBCGQMPCRAQHZ-INIZCTEOSA-N 1 0 419.547 3.783 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000443943855 986151026 /nfs/dbraw/zinc/15/10/26/986151026.db2.gz FRIHHCJTQBBQCK-UHFFFAOYSA-N 1 0 400.479 3.864 20 5 HHBDRO O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCC[NH+]1CCC1 ZINC000443968930 986176372 /nfs/dbraw/zinc/17/63/72/986176372.db2.gz DVRLIABEGJZDFF-SAPNQHFASA-N 1 0 422.510 3.957 20 5 HHBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000443999292 986198218 /nfs/dbraw/zinc/19/82/18/986198218.db2.gz AEWLWIUVUWNOGJ-ZIAGYGMSSA-N 1 0 413.468 3.952 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000444005181 986202208 /nfs/dbraw/zinc/20/22/08/986202208.db2.gz VNUVCYQVWMSFEC-LBPRGKRZSA-N 1 0 423.263 3.760 20 5 HHBDRO Nc1c(Br)cc(Br)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000463244721 986211857 /nfs/dbraw/zinc/21/18/57/986211857.db2.gz PSZJDPALLZQQRW-UHFFFAOYSA-N 1 0 415.085 3.992 20 5 HHBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(C[NH+]2CCCC2)CC1 ZINC000444029039 986223393 /nfs/dbraw/zinc/22/33/93/986223393.db2.gz HPGZRXUQZBDGDE-UHFFFAOYSA-N 1 0 407.489 3.768 20 5 HHBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000444099984 986297952 /nfs/dbraw/zinc/29/79/52/986297952.db2.gz UVDHUJXKJXLZQP-UHFFFAOYSA-N 1 0 408.408 3.668 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CN(C)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000463385706 986354017 /nfs/dbraw/zinc/35/40/17/986354017.db2.gz AUKMKNNWKVYVRA-GOSISDBHSA-N 1 0 410.518 3.579 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000468648547 986361961 /nfs/dbraw/zinc/36/19/61/986361961.db2.gz QLEKMUUMXXWAAW-GHRIWEEISA-N 1 0 415.515 3.572 20 5 HHBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000444230275 986417638 /nfs/dbraw/zinc/41/76/38/986417638.db2.gz YXDXFQGMMIFGPR-AWEZNQCLSA-N 1 0 413.468 3.667 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000468749651 986463205 /nfs/dbraw/zinc/46/32/05/986463205.db2.gz OKECDLVNJORQQK-KZFLWGQDSA-N 1 0 408.502 3.808 20 5 HHBDRO O=C1[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCN1Cc1ccc(F)cc1F ZINC000468995774 986701455 /nfs/dbraw/zinc/70/14/55/986701455.db2.gz MAKBLCVYJPWUFO-ORUDLHBZSA-N 1 0 401.413 3.667 20 5 HHBDRO CC(C)CCSc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000444560070 986753589 /nfs/dbraw/zinc/75/35/89/986753589.db2.gz YSLDFDMREJKHRX-MRXNPFEDSA-N 1 0 423.579 3.650 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)nc2c1 ZINC000444637832 986824264 /nfs/dbraw/zinc/82/42/64/986824264.db2.gz HEZFKMKMXPWUJT-AVRDEDQJSA-N 1 0 405.502 3.958 20 5 HHBDRO COc1cc(CN2CC[C@H]([NH2+]C/C(C)=C/c3cccc([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000469126514 986845599 /nfs/dbraw/zinc/84/55/99/986845599.db2.gz WSBPOZZSOPGVEX-ZUNINTSYSA-N 1 0 411.502 3.879 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000469160676 986885054 /nfs/dbraw/zinc/88/50/54/986885054.db2.gz YXWBDJZHHLNUOW-FOIQADDNSA-N 1 0 417.456 3.975 20 5 HHBDRO Cc1cccc2nc(C3CC[NH+](C[C@H](O)COc4cccc([N+](=O)[O-])c4)CC3)oc21 ZINC000444767739 986927929 /nfs/dbraw/zinc/92/79/29/986927929.db2.gz UKCIRXVMCGBJCX-SFHVURJKSA-N 1 0 411.458 3.664 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469455219 987141027 /nfs/dbraw/zinc/14/10/27/987141027.db2.gz SKDXZCZIJXKCKK-CYBMUJFWSA-N 1 0 405.401 3.700 20 5 HHBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000445024993 987156986 /nfs/dbraw/zinc/15/69/86/987156986.db2.gz YRFRQMKDSRKBHU-UHFFFAOYSA-N 1 0 421.541 3.644 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000469482235 987164496 /nfs/dbraw/zinc/16/44/96/987164496.db2.gz QSNYVXZGYBVVBN-GOSISDBHSA-N 1 0 409.408 3.965 20 5 HHBDRO COc1ccc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1[N+](=O)[O-] ZINC000469935423 987560618 /nfs/dbraw/zinc/56/06/18/987560618.db2.gz MRBFJIDKYGEDKJ-UHFFFAOYSA-N 1 0 416.400 3.530 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000445573360 987638589 /nfs/dbraw/zinc/63/85/89/987638589.db2.gz IKRMXRIVCHQTMQ-UHFFFAOYSA-N 1 0 408.458 3.957 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445696134 987762187 /nfs/dbraw/zinc/76/21/87/987762187.db2.gz CZCKQKIQSLAOEQ-INIZCTEOSA-N 1 0 414.531 3.636 20 5 HHBDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000470117342 988019329 /nfs/dbraw/zinc/01/93/29/988019329.db2.gz ZEPUGWDLURGAIK-WOJBJXKFSA-N 1 0 414.437 3.842 20 5 HHBDRO CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000470149524 988057513 /nfs/dbraw/zinc/05/75/13/988057513.db2.gz ATPGCGZTZUZZOM-PMACEKPBSA-N 1 0 421.517 3.535 20 5 HHBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)[C@@H]1C ZINC000470153348 988062768 /nfs/dbraw/zinc/06/27/68/988062768.db2.gz SDLYARNDJKSPGT-BEFAXECRSA-N 1 0 414.458 3.566 20 5 HHBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470342986 988309610 /nfs/dbraw/zinc/30/96/10/988309610.db2.gz NGNDABAXKQIWOA-UHFFFAOYSA-N 1 0 424.501 3.918 20 5 HHBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000470355006 988321426 /nfs/dbraw/zinc/32/14/26/988321426.db2.gz NDTNBUJTNNYAJZ-FCHUYYIVSA-N 1 0 422.529 3.833 20 5 HHBDRO COc1ccc(C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](CO)C(C)C)cc1 ZINC000464491129 988663013 /nfs/dbraw/zinc/66/30/13/988663013.db2.gz SRNDCPCGJMTPQW-HXUWFJFHSA-N 1 0 406.454 3.770 20 5 HHBDRO CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470675214 988699733 /nfs/dbraw/zinc/69/97/33/988699733.db2.gz YLMYBAMELMTAMM-FQEVSTJZSA-N 1 0 408.502 3.906 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000464601841 988784157 /nfs/dbraw/zinc/78/41/57/988784157.db2.gz MPGIGDLKBJIBRF-CYBMUJFWSA-N 1 0 403.483 3.543 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000464635911 988812272 /nfs/dbraw/zinc/81/22/72/988812272.db2.gz QEFHXUQLPJGKIX-CYBMUJFWSA-N 1 0 403.483 3.543 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000470990517 989054193 /nfs/dbraw/zinc/05/41/93/989054193.db2.gz DOUPZOIBRUJTOX-KUHUBIRLSA-N 1 0 403.504 3.868 20 5 HHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471015116 989084621 /nfs/dbraw/zinc/08/46/21/989084621.db2.gz SFCPHNYWZGGCFT-FFZOFVMBSA-N 1 0 419.485 3.770 20 5 HHBDRO O=C(C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000471031933 989104471 /nfs/dbraw/zinc/10/44/71/989104471.db2.gz WRCWKXRODFHQAG-HXUWFJFHSA-N 1 0 417.893 3.949 20 5 HHBDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c(OCC)c2)CC1 ZINC000471167043 989292126 /nfs/dbraw/zinc/29/21/26/989292126.db2.gz AZCUXGOJWBGSHG-UHFFFAOYSA-N 1 0 412.490 3.778 20 5 HHBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)[N@H+](C)Cc1ccccc1 ZINC000471470011 989664679 /nfs/dbraw/zinc/66/46/79/989664679.db2.gz GKPBPBAIBQVBFQ-AWEZNQCLSA-N 1 0 420.307 3.998 20 5 HHBDRO CC(C)(C)c1ccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000465377428 989730241 /nfs/dbraw/zinc/73/02/41/989730241.db2.gz QBHYDAQTEFTFOB-UHFFFAOYSA-N 1 0 403.523 3.609 20 5 HHBDRO C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H](c1ccccc1)[NH+](C)C ZINC000471540765 989739965 /nfs/dbraw/zinc/73/99/65/989739965.db2.gz VASHYWCAWJKHMI-AVRWGWEMSA-N 1 0 413.521 3.962 20 5 HHBDRO C[C@H]1CCC[C@@](CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)([NH+](C)C)C1 ZINC000465713572 990098745 /nfs/dbraw/zinc/09/87/45/990098745.db2.gz DAXKBUAZKAJOAW-HTAPYJJXSA-N 1 0 418.538 3.658 20 5 HHBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465743853 990128722 /nfs/dbraw/zinc/12/87/22/990128722.db2.gz VPQWHKTYGQBIAG-KZNAEPCWSA-N 1 0 418.538 3.514 20 5 HHBDRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000466306955 991560887 /nfs/dbraw/zinc/56/08/87/991560887.db2.gz LLIZSFCITQLVHT-UHFFFAOYSA-N 1 0 414.437 3.801 20 5 HHBDRO C[NH+](C)CCc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000466370123 991645497 /nfs/dbraw/zinc/64/54/97/991645497.db2.gz KTRYMJXKKTZRKF-UHFFFAOYSA-N 1 0 408.405 3.622 20 5 HHBDRO COc1cc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c([N+](=O)[O-])cc1O ZINC000466452916 991743478 /nfs/dbraw/zinc/74/34/78/991743478.db2.gz GPGRCCSIHDEDCL-UHFFFAOYSA-N 1 0 406.236 3.843 20 5 HHBDRO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)CCC1CCOCC1 ZINC000466462142 991753379 /nfs/dbraw/zinc/75/33/79/991753379.db2.gz CUHYSIVCYHREKH-CQSZACIVSA-N 1 0 418.519 3.794 20 5 HHBDRO O=C(c1ccccc1)c1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000466625253 991940868 /nfs/dbraw/zinc/94/08/68/991940868.db2.gz DLIJHPLCWMLLOO-UHFFFAOYSA-N 1 0 423.513 3.907 20 5 HHBDRO COCc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000467127604 992444894 /nfs/dbraw/zinc/44/48/94/992444894.db2.gz VTZMBMNRAWOLFM-KRWDZBQOSA-N 1 0 403.435 3.509 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000467232425 992554352 /nfs/dbraw/zinc/55/43/52/992554352.db2.gz XKABPWCHUOUKBO-YOEHRIQHSA-N 1 0 402.882 3.710 20 5 HHBDRO O=C1c2ccccc2CCN1CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467398121 992707187 /nfs/dbraw/zinc/70/71/87/992707187.db2.gz FMURVBJTAJPEPH-QHCPKHFHSA-N 1 0 401.466 3.972 20 5 HHBDRO CCS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000467412064 992716101 /nfs/dbraw/zinc/71/61/01/992716101.db2.gz GMDISZUEZJHJFA-YLJYHZDGSA-N 1 0 402.516 3.889 20 5 HHBDRO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000467521907 992798866 /nfs/dbraw/zinc/79/88/66/992798866.db2.gz SEHCLJJVQLFAAA-SJLPKXTDSA-N 1 0 401.850 3.751 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000467717540 992970529 /nfs/dbraw/zinc/97/05/29/992970529.db2.gz DBQHBPQSZFKYEX-VBKZILBWSA-N 1 0 411.458 3.608 20 5 HHBDRO COc1cc(C[NH2+]CC2(CO)CCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000472152127 993205427 /nfs/dbraw/zinc/20/54/27/993205427.db2.gz DXWIKYNIQLCFJS-UHFFFAOYSA-N 1 0 400.475 3.825 20 5 HHBDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000472330163 993339194 /nfs/dbraw/zinc/33/91/94/993339194.db2.gz UBWVZQCMJIATMM-MSOLQXFVSA-N 1 0 400.479 3.514 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000473283645 994132197 /nfs/dbraw/zinc/13/21/97/994132197.db2.gz OISBVTRLFBCLRY-HZPDHXFCSA-N 1 0 406.486 3.963 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000481377832 994209683 /nfs/dbraw/zinc/20/96/83/994209683.db2.gz VQBRHAUAJFBCSN-MAUKXSAKSA-N 1 0 423.560 3.635 20 5 HHBDRO COc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000473509743 994360623 /nfs/dbraw/zinc/36/06/23/994360623.db2.gz SYXLCTXHUSKWPU-QHCPKHFHSA-N 1 0 409.486 3.732 20 5 HHBDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000473535604 994395583 /nfs/dbraw/zinc/39/55/83/994395583.db2.gz SWPINTQLGZSNJL-UHFFFAOYSA-N 1 0 410.396 3.611 20 5 HHBDRO C[C@@H]1CN(Cc2cccc(C[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)c2)CCO1 ZINC000481562663 994397596 /nfs/dbraw/zinc/39/75/96/994397596.db2.gz CNEMUYQVYHOCML-WZONZLPQSA-N 1 0 409.530 3.926 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000481759537 994612180 /nfs/dbraw/zinc/61/21/80/994612180.db2.gz GWXLBZGTCLBGDX-HOCLYGCPSA-N 1 0 402.438 3.931 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000482054146 994980764 /nfs/dbraw/zinc/98/07/64/994980764.db2.gz OYSALRVHXTULMS-HKUYNNGSSA-N 1 0 419.485 3.563 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c([N+](=O)[O-])cc1O ZINC000473993521 994982029 /nfs/dbraw/zinc/98/20/29/994982029.db2.gz IJTMZMGQJYVEON-ZDUSSCGKSA-N 1 0 412.273 3.984 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2cc3cccc(F)c3o2)cc1[N+](=O)[O-] ZINC000473996000 994984544 /nfs/dbraw/zinc/98/45/44/994984544.db2.gz NPQFOAINRWGYDW-LBPRGKRZSA-N 1 0 402.378 3.883 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000474024085 995015716 /nfs/dbraw/zinc/01/57/16/995015716.db2.gz UZMSVRMVMORMDR-LBPRGKRZSA-N 1 0 401.444 3.607 20 5 HHBDRO O=C(C[N@H+](Cc1ccccc1)CC1(O)CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000474232298 995229546 /nfs/dbraw/zinc/22/95/46/995229546.db2.gz OEKAEHKRJYXHCV-UHFFFAOYSA-N 1 0 417.893 3.994 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000474356897 995336937 /nfs/dbraw/zinc/33/69/37/995336937.db2.gz OQBDLDYEFRUGRP-KGLIPLIRSA-N 1 0 404.385 3.605 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]Cc2c(OC)ccc3ccccc32)cc1[N+](=O)[O-] ZINC000474364098 995344194 /nfs/dbraw/zinc/34/41/94/995344194.db2.gz SWURRBJLSCRFPV-UHFFFAOYSA-N 1 0 410.426 3.598 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000474367059 995346971 /nfs/dbraw/zinc/34/69/71/995346971.db2.gz CJMWVMHZADNHIQ-UHFFFAOYSA-N 1 0 416.327 3.594 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000482435922 995428760 /nfs/dbraw/zinc/42/87/60/995428760.db2.gz BEHHEKIINPMRAS-UHFFFAOYSA-N 1 0 411.502 3.704 20 5 HHBDRO CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000482564513 995570221 /nfs/dbraw/zinc/57/02/21/995570221.db2.gz SRBYBSSFDWWPSR-UHFFFAOYSA-N 1 0 402.886 3.718 20 5 HHBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000482634763 995628902 /nfs/dbraw/zinc/62/89/02/995628902.db2.gz VFNTZTTYCDRFLH-UHFFFAOYSA-N 1 0 400.504 3.855 20 5 HHBDRO COC1CCN(C2(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CCCC2)CC1 ZINC000482640283 995635033 /nfs/dbraw/zinc/63/50/33/995635033.db2.gz UUKAVYDLNFQRDZ-NRFANRHFSA-N 1 0 401.551 3.929 20 5 HHBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000482642211 995637502 /nfs/dbraw/zinc/63/75/02/995637502.db2.gz MPHVBXQDHQEKDP-UHFFFAOYSA-N 1 0 415.412 3.673 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OCC[NH+](C)C)c2)cc1SC ZINC000482984705 995901511 /nfs/dbraw/zinc/90/15/11/995901511.db2.gz LQNDALXRZOPEKT-UHFFFAOYSA-N 1 0 405.476 3.518 20 5 HHBDRO CC[NH+]1CCN(c2cccc(N[C@@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000475091731 995916777 /nfs/dbraw/zinc/91/67/77/995916777.db2.gz SMMHMFVOVLKURB-KRWDZBQOSA-N 1 0 411.506 3.566 20 5 HHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475112028 995929669 /nfs/dbraw/zinc/92/96/69/995929669.db2.gz RHJMRFBWAJSMJV-XMMPIXPASA-N 1 0 422.529 3.835 20 5 HHBDRO COc1cc(C[NH2+]CC2(C)CCC(OC)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000475221473 996005864 /nfs/dbraw/zinc/00/58/64/996005864.db2.gz VZCMZKSQXIEIGY-UHFFFAOYSA-N 1 0 402.438 3.932 20 5 HHBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000475224136 996007636 /nfs/dbraw/zinc/00/76/36/996007636.db2.gz NKYFYUKYFSEEPC-WMLDXEAASA-N 1 0 408.545 3.951 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000483213817 996041281 /nfs/dbraw/zinc/04/12/81/996041281.db2.gz ODPUWOSKIVPHCJ-SOLBZPMBSA-N 1 0 421.563 3.811 20 5 HHBDRO COc1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475355651 996086898 /nfs/dbraw/zinc/08/68/98/996086898.db2.gz WWDAIKVYCFMNLL-JOCHJYFZSA-N 1 0 400.475 3.919 20 5 HHBDRO CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483349674 996116717 /nfs/dbraw/zinc/11/67/17/996116717.db2.gz YTCQIGKWOGTKDQ-UHFFFAOYSA-N 1 0 416.279 3.613 20 5 HHBDRO COC(=O)COc1ccc(C[N@H+](C)[C@@H]2CCCc3cc(OC)ccc32)cc1[N+](=O)[O-] ZINC000475584792 996232139 /nfs/dbraw/zinc/23/21/39/996232139.db2.gz PKSXQEIVLPFPNT-LJQANCHMSA-N 1 0 414.458 3.665 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc2[N+](=O)[O-])C1 ZINC000483555390 996247733 /nfs/dbraw/zinc/24/77/33/996247733.db2.gz CKPSUOHSVFFKIS-BWPNAZKDSA-N 1 0 414.550 3.633 20 5 HHBDRO C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000483662953 996315073 /nfs/dbraw/zinc/31/50/73/996315073.db2.gz QTGBETUGNWFODV-HNNXBMFYSA-N 1 0 423.560 3.724 20 5 HHBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccccc1C[NH+]1CCCC1 ZINC000483974571 996500960 /nfs/dbraw/zinc/50/09/60/996500960.db2.gz MHKDDZRURBDAOS-UHFFFAOYSA-N 1 0 416.909 3.886 20 5 HHBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000484285809 996679272 /nfs/dbraw/zinc/67/92/72/996679272.db2.gz CJYJIJSIYVFQRV-MGPUTAFESA-N 1 0 417.531 3.857 20 5 HHBDRO CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000476233580 996694325 /nfs/dbraw/zinc/69/43/25/996694325.db2.gz OXKKCFYSLAAFQO-UHFFFAOYSA-N 1 0 408.458 3.827 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000484320639 996701114 /nfs/dbraw/zinc/70/11/14/996701114.db2.gz YANMBZXHHSQQGB-FOIQADDNSA-N 1 0 409.552 3.574 20 5 HHBDRO COc1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000476367039 996798274 /nfs/dbraw/zinc/79/82/74/996798274.db2.gz XEHSWOVUBBMXEL-AZUAARDMSA-N 1 0 409.486 3.730 20 5 HHBDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000484764477 997106746 /nfs/dbraw/zinc/10/67/46/997106746.db2.gz JHNIJLUXEQXRME-NRFANRHFSA-N 1 0 420.437 3.709 20 5 HHBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000484797241 997148768 /nfs/dbraw/zinc/14/87/68/997148768.db2.gz KBUKIXOWWFZOGT-UHFFFAOYSA-N 1 0 419.428 3.763 20 5 HHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485031146 997395254 /nfs/dbraw/zinc/39/52/54/997395254.db2.gz FWMCSVQCFLTMDV-UHFFFAOYSA-N 1 0 407.417 3.968 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000477065686 997711575 /nfs/dbraw/zinc/71/15/75/997711575.db2.gz IKMXMUKYLGMHMH-HBIPHATFSA-N 1 0 403.504 3.662 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485364080 997789491 /nfs/dbraw/zinc/78/94/91/997789491.db2.gz SCNZNZNZDSFERY-REWPJTCUSA-N 1 0 422.529 3.828 20 5 HHBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000485399899 997830257 /nfs/dbraw/zinc/83/02/57/997830257.db2.gz CYFISEOMBJSBKW-ROUUACIJSA-N 1 0 402.495 3.812 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000477300665 997988059 /nfs/dbraw/zinc/98/80/59/997988059.db2.gz ZDCPSOADAFVDHI-OAQYLSRUSA-N 1 0 404.470 3.783 20 5 HHBDRO COc1cc(C[NH+]2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000485720348 998189408 /nfs/dbraw/zinc/18/94/08/998189408.db2.gz YGHSNHOKXLQJDT-UHFFFAOYSA-N 1 0 415.465 3.579 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000485815574 998283461 /nfs/dbraw/zinc/28/34/61/998283461.db2.gz CQWBBFCDFHMDPG-VXGBXAGGSA-N 1 0 400.460 3.891 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCCCC2)c1 ZINC000477638411 998356062 /nfs/dbraw/zinc/35/60/62/998356062.db2.gz PQBDBZIEZKWQKB-QGZVFWFLSA-N 1 0 412.412 3.620 20 5 HHBDRO Cc1cc(Br)cn2cc(CCNC(=O)c3c(C)cccc3[N+](=O)[O-])nc12 ZINC000486119678 998567856 /nfs/dbraw/zinc/56/78/56/998567856.db2.gz WOCHBRUYECTQIE-UHFFFAOYSA-N 1 0 417.263 3.594 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])Cc1ccccc1 ZINC000486493121 998793201 /nfs/dbraw/zinc/79/32/01/998793201.db2.gz YEQLYVBACOJDGN-QGZVFWFLSA-N 1 0 401.532 4.000 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000486684734 998891589 /nfs/dbraw/zinc/89/15/89/998891589.db2.gz YLOFSNWVIOVYCF-HNNXBMFYSA-N 1 0 409.477 3.919 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000478335327 998896912 /nfs/dbraw/zinc/89/69/12/998896912.db2.gz JEMWUCRPIHIKHD-SFHVURJKSA-N 1 0 402.539 3.534 20 5 HHBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000487649707 999241602 /nfs/dbraw/zinc/24/16/02/999241602.db2.gz QPMWSQBXHABIQF-KRWDZBQOSA-N 1 0 401.532 3.974 20 5 HHBDRO CC[N@@H+]1CCC[C@@H](CN(C)c2c3ccccc3ncc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000487717472 999263783 /nfs/dbraw/zinc/26/37/83/999263783.db2.gz FUOIKOKXOGFLFX-HRAATJIYSA-N 1 0 408.506 3.786 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000487730002 999268653 /nfs/dbraw/zinc/26/86/53/999268653.db2.gz NFBNYHYYKLZBFR-QGZVFWFLSA-N 1 0 411.506 3.928 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)s1 ZINC000479609788 999499879 /nfs/dbraw/zinc/49/98/79/999499879.db2.gz HFCBJKJKVWLOKY-UHFFFAOYSA-N 1 0 410.499 3.845 20 5 HHBDRO C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488563074 999528927 /nfs/dbraw/zinc/52/89/27/999528927.db2.gz UNFUNCUWTSGOFS-FXAWDEMLSA-N 1 0 408.502 3.573 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)c1 ZINC000488674543 999567562 /nfs/dbraw/zinc/56/75/62/999567562.db2.gz JAXMHJOFOOPZDK-UHFFFAOYSA-N 1 0 401.488 3.526 20 5 HHBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000488865390 999630995 /nfs/dbraw/zinc/63/09/95/999630995.db2.gz ZZLJSTOVBRPKAX-UHFFFAOYSA-N 1 0 412.490 3.719 20 5 HHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000488882407 999635900 /nfs/dbraw/zinc/63/59/00/999635900.db2.gz CWEBQVLKBLCSAS-HNNXBMFYSA-N 1 0 417.506 3.995 20 5 HHBDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000479952837 999661356 /nfs/dbraw/zinc/66/13/56/999661356.db2.gz BQGLUSFPODIPDJ-KRWDZBQOSA-N 1 0 413.474 3.648 20 5 HHBDRO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489002649 999669048 /nfs/dbraw/zinc/66/90/48/999669048.db2.gz AKFDABZGWYRKIH-DLBZAZTESA-N 1 0 421.501 3.847 20 5 HHBDRO COc1ccc(CSCC(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000480073750 999709965 /nfs/dbraw/zinc/70/99/65/999709965.db2.gz XCBWFIBVLNRNRA-UHFFFAOYSA-N 1 0 423.579 3.998 20 5 HHBDRO COC1CC[NH+](C2(CNC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CCCC2)CC1 ZINC000489159245 999713791 /nfs/dbraw/zinc/71/37/91/999713791.db2.gz JFWNCQMUTCIFJR-KRWDZBQOSA-N 1 0 418.538 3.687 20 5 HHBDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000489333349 999747486 /nfs/dbraw/zinc/74/74/86/999747486.db2.gz RJCXFKYAPDZFEF-QGZVFWFLSA-N 1 0 411.506 3.555 20 5 HHBDRO O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000489375317 999754299 /nfs/dbraw/zinc/75/42/99/999754299.db2.gz BCAZSSVJVASUSA-UHFFFAOYSA-N 1 0 417.556 3.917 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489658512 999811912 /nfs/dbraw/zinc/81/19/12/999811912.db2.gz JXLVXGAOIVISLN-UHFFFAOYSA-N 1 0 410.518 3.686 20 5 HHBDRO CC[NH+](CC)C[C@H](C)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000480515617 999816425 /nfs/dbraw/zinc/81/64/25/999816425.db2.gz RWQFKYRSRIANDN-HNNXBMFYSA-N 1 0 406.508 3.538 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000480563251 999827617 /nfs/dbraw/zinc/82/76/17/999827617.db2.gz LJVQNAFIGNKFMV-UHFFFAOYSA-N 1 0 401.385 3.599 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480662069 999853660 /nfs/dbraw/zinc/85/36/60/999853660.db2.gz LPCBRRSKLNBXNA-LHSJRXKWSA-N 1 0 411.437 3.564 20 5 HHBDRO CC(C)Oc1ccc([C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000489946434 999867693 /nfs/dbraw/zinc/86/76/93/999867693.db2.gz LYILLCGUUHDFTP-FQEVSTJZSA-N 1 0 421.444 3.622 20 5 HHBDRO C[NH+]1CCN(c2cc(CN[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)ccn2)CC1 ZINC000490134741 999898239 /nfs/dbraw/zinc/89/82/39/999898239.db2.gz CQZOTHKLGXWNOL-XMMPIXPASA-N 1 0 417.513 3.621 20 5 HHBDRO CC[N@H+](Cc1ccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1)C(C)C ZINC000490361843 999944723 /nfs/dbraw/zinc/94/47/23/999944723.db2.gz FZAAGSKDPCLYMN-UHFFFAOYSA-N 1 0 408.462 3.863 20 5 HHBDRO C[C@]1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCC[N@@H+]1Cc1ccccc1 ZINC000490519785 999971327 /nfs/dbraw/zinc/97/13/27/999971327.db2.gz IBFZTWSOXMJLRL-HSZRJFAPSA-N 1 0 419.485 3.565 20 5 HHBDRO C[C@]1(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCC[N@@H+]1Cc1ccccc1 ZINC000490529554 999973130 /nfs/dbraw/zinc/97/31/30/999973130.db2.gz YBPGZVPHCIQDFI-HSZRJFAPSA-N 1 0 419.485 3.565 20 5 HHBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000490542792 999974980 /nfs/dbraw/zinc/97/49/80/999974980.db2.gz KBQGYFXDHBUBCE-DZGCQCFKSA-N 1 0 401.454 3.552 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1)CC(C)C ZINC000490712516 999996110 /nfs/dbraw/zinc/99/61/10/999996110.db2.gz YUEPYGNGEUIYTH-UHFFFAOYSA-N 1 0 405.495 3.544 20 5 HHBDRO COc1cc(CNC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491049136 1000039233 /nfs/dbraw/zinc/03/92/33/1000039233.db2.gz FIQYEIAZJBSFCS-ZIAGYGMSSA-N 1 0 401.454 3.600 20 5 HHBDRO COc1cc(C[N@H+](C[C@H](C)O)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491069902 1000041978 /nfs/dbraw/zinc/04/19/78/1000041978.db2.gz YYTBAAQJYPRIIM-ZDUSSCGKSA-N 1 0 402.438 3.763 20 5 HHBDRO COc1cc(C[N@@H+]2CCCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491164832 1000051487 /nfs/dbraw/zinc/05/14/87/1000051487.db2.gz BWGMGZQRVCRSKR-UHFFFAOYSA-N 1 0 421.444 3.960 20 5 HHBDRO CCC[NH+]1CCC(N(C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000491227250 1000056631 /nfs/dbraw/zinc/05/66/31/1000056631.db2.gz ARCGLBZRABZGGD-UHFFFAOYSA-N 1 0 401.454 3.554 20 5 HHBDRO CCOc1cc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000492579580 1000133529 /nfs/dbraw/zinc/13/35/29/1000133529.db2.gz AZMVEQBJYHGFHZ-SFHVURJKSA-N 1 0 401.507 3.608 20 5 HHBDRO Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000493034459 1000154765 /nfs/dbraw/zinc/15/47/65/1000154765.db2.gz RAHNTOVLYPAZSN-MRXNPFEDSA-N 1 0 402.470 3.877 20 5 HHBDRO Cc1ccc([C@@H](C)NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000493107440 1000158037 /nfs/dbraw/zinc/15/80/37/1000158037.db2.gz RRPFYBDTZJUZPO-MRXNPFEDSA-N 1 0 400.479 3.863 20 5 HHBDRO COc1cc(C[NH2+]CC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493762303 1000190756 /nfs/dbraw/zinc/19/07/56/1000190756.db2.gz GKZFXZSTIGDRBU-AWEZNQCLSA-N 1 0 424.400 3.567 20 5 HHBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000493815285 1000195357 /nfs/dbraw/zinc/19/53/57/1000195357.db2.gz ICXZEPSJDOTGKK-KXBFYZLASA-N 1 0 423.560 3.635 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000493932442 1000222274 /nfs/dbraw/zinc/22/22/74/1000222274.db2.gz BPMDJZMGNVJZND-PXNSSMCTSA-N 1 0 405.401 3.630 20 5 HHBDRO CCOc1cc(C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000494026760 1000273995 /nfs/dbraw/zinc/27/39/95/1000273995.db2.gz JWZQTEQSZAOPAX-UHFFFAOYSA-N 1 0 407.511 3.729 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000494046355 1000281712 /nfs/dbraw/zinc/28/17/12/1000281712.db2.gz CYNMYKXCUZUBNV-CJNGLKHVSA-N 1 0 400.317 3.906 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1[N+](=O)[O-] ZINC000504893031 1000432502 /nfs/dbraw/zinc/43/25/02/1000432502.db2.gz AYTKBLQHQNSTGQ-NVXWUHKLSA-N 1 0 415.490 3.940 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000504920692 1000448994 /nfs/dbraw/zinc/44/89/94/1000448994.db2.gz PNXSCUSZRCBPDO-MSOLQXFVSA-N 1 0 401.532 3.755 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000504920693 1000449460 /nfs/dbraw/zinc/44/94/60/1000449460.db2.gz PNXSCUSZRCBPDO-QZTJIDSGSA-N 1 0 401.532 3.755 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccnc(OC3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000504926567 1000451917 /nfs/dbraw/zinc/45/19/17/1000451917.db2.gz JCSDTJWKQGMNMD-OAHLLOKOSA-N 1 0 401.463 3.797 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494496030 1000524299 /nfs/dbraw/zinc/52/42/99/1000524299.db2.gz OEWPMNIJVFNQDO-JXFKEZNVSA-N 1 0 419.865 3.705 20 5 HHBDRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494498486 1000525515 /nfs/dbraw/zinc/52/55/15/1000525515.db2.gz WIJWJYKEZLACLG-QAPCUYQASA-N 1 0 410.257 3.960 20 5 HHBDRO CC1CC[NH+](C2CCC(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000505115677 1000558279 /nfs/dbraw/zinc/55/82/79/1000558279.db2.gz YBFLDINAWGBHNH-UHFFFAOYSA-N 1 0 412.490 3.622 20 5 HHBDRO COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2OC)[NH+]2CCCCC2)cc1 ZINC000494610831 1000572760 /nfs/dbraw/zinc/57/27/60/1000572760.db2.gz FCQFELYTJRUMSL-FQEVSTJZSA-N 1 0 413.474 3.569 20 5 HHBDRO COc1cc(C[NH2+]CCc2sc(C)nc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000494680887 1000601501 /nfs/dbraw/zinc/60/15/01/1000601501.db2.gz PKXFDQGKFJSPOB-UHFFFAOYSA-N 1 0 401.435 3.653 20 5 HHBDRO COc1cc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000495089697 1000830938 /nfs/dbraw/zinc/83/09/38/1000830938.db2.gz ODZIPTCUNXJRKG-RXVVDRJESA-N 1 0 411.502 3.708 20 5 HHBDRO COCC[N@H+](C)CC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000505499990 1000839082 /nfs/dbraw/zinc/83/90/82/1000839082.db2.gz GUZCRKIBXSKYEB-SFHVURJKSA-N 1 0 405.882 3.688 20 5 HHBDRO C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+]1CCC(C)CC1 ZINC000495138228 1000878609 /nfs/dbraw/zinc/87/86/09/1000878609.db2.gz MBZODTSALKQJPM-CYBMUJFWSA-N 1 0 402.417 3.533 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000495149448 1000889635 /nfs/dbraw/zinc/88/96/35/1000889635.db2.gz GPSIYTGEOGEWAT-MRXNPFEDSA-N 1 0 411.380 3.655 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000495182026 1000904829 /nfs/dbraw/zinc/90/48/29/1000904829.db2.gz FRENLURKRCWUHD-UYAOXDASSA-N 1 0 400.475 3.823 20 5 HHBDRO C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505573268 1000913552 /nfs/dbraw/zinc/91/35/52/1000913552.db2.gz AZYDATLKKNOWIG-PXAZEXFGSA-N 1 0 406.280 3.779 20 5 HHBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000505581224 1000919189 /nfs/dbraw/zinc/91/91/89/1000919189.db2.gz LOXBBSGIACEYPC-YJYMSZOUSA-N 1 0 420.307 3.707 20 5 HHBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000505583958 1000920351 /nfs/dbraw/zinc/92/03/51/1000920351.db2.gz BSDUSDVRFIOTHD-GOSISDBHSA-N 1 0 403.429 3.711 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1SC ZINC000505639453 1000949203 /nfs/dbraw/zinc/94/92/03/1000949203.db2.gz YUHUDMMHDZBMRS-ORAYPTAESA-N 1 0 403.504 3.747 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000505720475 1000992252 /nfs/dbraw/zinc/99/22/52/1000992252.db2.gz SWYHJVGMDGYNLM-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000505755843 1001008434 /nfs/dbraw/zinc/00/84/34/1001008434.db2.gz WHLKCTLXNQSXKD-UHFFFAOYSA-N 1 0 402.476 3.723 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCCC[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000505848030 1001059325 /nfs/dbraw/zinc/05/93/25/1001059325.db2.gz KWHFLRKIUQGTQO-MRXNPFEDSA-N 1 0 402.495 3.952 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000505919180 1001100614 /nfs/dbraw/zinc/10/06/14/1001100614.db2.gz ONQCTIAUGVMVOM-RTBURBONSA-N 1 0 402.539 3.900 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1OC ZINC000505946376 1001119887 /nfs/dbraw/zinc/11/98/87/1001119887.db2.gz HXAQEMBUUOGLJZ-SJORKVTESA-N 1 0 419.522 3.729 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1OC ZINC000505946375 1001119940 /nfs/dbraw/zinc/11/99/40/1001119940.db2.gz HXAQEMBUUOGLJZ-IRXDYDNUSA-N 1 0 419.522 3.729 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000506241330 1001300938 /nfs/dbraw/zinc/30/09/38/1001300938.db2.gz TUANCKVLEWEBQJ-HUUCEWRRSA-N 1 0 415.943 3.523 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497352499 1001304860 /nfs/dbraw/zinc/30/48/60/1001304860.db2.gz NGOKUTJAAABJDC-KBXCAEBGSA-N 1 0 419.428 3.837 20 5 HHBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000497358474 1001308261 /nfs/dbraw/zinc/30/82/61/1001308261.db2.gz ROOFOALXDAGIIM-KRWDZBQOSA-N 1 0 419.428 3.933 20 5 HHBDRO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506282487 1001327037 /nfs/dbraw/zinc/32/70/37/1001327037.db2.gz SBTDYAQNVJJFTK-GOSISDBHSA-N 1 0 419.485 3.846 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506475029 1001429275 /nfs/dbraw/zinc/42/92/75/1001429275.db2.gz RNSUQGMJQYBFHE-YTQUADARSA-N 1 0 402.539 3.817 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000506493743 1001438142 /nfs/dbraw/zinc/43/81/42/1001438142.db2.gz JRYMHZBJYDUUSB-UHFFFAOYSA-N 1 0 414.531 3.886 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000497637278 1001467962 /nfs/dbraw/zinc/46/79/62/1001467962.db2.gz RZPNZNZRDCYKJJ-GJZGRUSLSA-N 1 0 417.893 3.787 20 5 HHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000497753594 1001504503 /nfs/dbraw/zinc/50/45/03/1001504503.db2.gz RIFLCUHOPQHONP-INIZCTEOSA-N 1 0 421.457 3.554 20 5 HHBDRO O=C(NCC[NH+]1CCC1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000506741798 1001510584 /nfs/dbraw/zinc/51/05/84/1001510584.db2.gz JSBCUDYXZXMHEM-UHFFFAOYSA-N 1 0 422.844 3.685 20 5 HHBDRO C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000497868891 1001543446 /nfs/dbraw/zinc/54/34/46/1001543446.db2.gz QEHJQUUZZIXZGZ-CYBMUJFWSA-N 1 0 420.872 3.630 20 5 HHBDRO COc1ccccc1[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+]1CCCC1 ZINC000506817616 1001547259 /nfs/dbraw/zinc/54/72/59/1001547259.db2.gz VGSFRLCLWSMNQZ-FQEVSTJZSA-N 1 0 410.474 3.737 20 5 HHBDRO COc1cccc([C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[NH+]2CCCC2)c1 ZINC000506857820 1001568408 /nfs/dbraw/zinc/56/84/08/1001568408.db2.gz QOJUWMNUSIABHB-NRFANRHFSA-N 1 0 410.474 3.737 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000498053622 1001623144 /nfs/dbraw/zinc/62/31/44/1001623144.db2.gz HULXPESFPMRRDS-KRWDZBQOSA-N 1 0 403.866 3.824 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000498409256 1001837323 /nfs/dbraw/zinc/83/73/23/1001837323.db2.gz KDFHJYINUVEDPB-WMZOPIPTSA-N 1 0 404.470 3.926 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)CC(C)C ZINC000498451144 1001879323 /nfs/dbraw/zinc/87/93/23/1001879323.db2.gz HKVZIBCKMTXGTG-IBGZPJMESA-N 1 0 404.555 3.684 20 5 HHBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498555424 1001970998 /nfs/dbraw/zinc/97/09/98/1001970998.db2.gz QBPAUJQNJSHLEC-IXDOHACOSA-N 1 0 411.506 3.718 20 5 HHBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498555426 1001971268 /nfs/dbraw/zinc/97/12/68/1001971268.db2.gz QBPAUJQNJSHLEC-YESZJQIVSA-N 1 0 411.506 3.718 20 5 HHBDRO CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000498642979 1002044515 /nfs/dbraw/zinc/04/45/15/1002044515.db2.gz AEHDTQQFFAZIHC-AWEZNQCLSA-N 1 0 415.515 3.618 20 5 HHBDRO CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000498642980 1002044809 /nfs/dbraw/zinc/04/48/09/1002044809.db2.gz AEHDTQQFFAZIHC-CQSZACIVSA-N 1 0 415.515 3.618 20 5 HHBDRO Cc1ccc(S(=O)(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000507411492 1002057163 /nfs/dbraw/zinc/05/71/63/1002057163.db2.gz XZKYKMFCXHCPNW-QGZVFWFLSA-N 1 0 417.531 3.756 20 5 HHBDRO Cn1ccnc1C(=O)c1ccc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000498805613 1002189968 /nfs/dbraw/zinc/18/99/68/1002189968.db2.gz OHFBVKXSIRAUJK-FQEVSTJZSA-N 1 0 419.485 3.808 20 5 HHBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507840959 1002381731 /nfs/dbraw/zinc/38/17/31/1002381731.db2.gz MQGNNCCHYOUQOT-UHFFFAOYSA-N 1 0 417.531 3.774 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000507844422 1002383819 /nfs/dbraw/zinc/38/38/19/1002383819.db2.gz JEWVHGFUYOELEI-MRXNPFEDSA-N 1 0 411.506 3.625 20 5 HHBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC3(C)CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000507854730 1002391864 /nfs/dbraw/zinc/39/18/64/1002391864.db2.gz HRSVPDRTBIIOQZ-IAGOWNOFSA-N 1 0 402.539 3.539 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000507859986 1002396398 /nfs/dbraw/zinc/39/63/98/1002396398.db2.gz NMYUFKMBHVLZOY-UHFFFAOYSA-N 1 0 416.453 3.720 20 5 HHBDRO COc1cc(C[N@H+](C)CCc2cnccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508640472 1003089799 /nfs/dbraw/zinc/08/97/99/1003089799.db2.gz POFRFDLRFXFYFY-UHFFFAOYSA-N 1 0 408.458 3.647 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000500006085 1003328864 /nfs/dbraw/zinc/32/88/64/1003328864.db2.gz CZXPYYOKVIKKEP-QFBILLFUSA-N 1 0 400.479 3.722 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000509005951 1003477749 /nfs/dbraw/zinc/47/77/49/1003477749.db2.gz VYOBOWQJEPBTNK-HOTGVXAUSA-N 1 0 409.552 3.716 20 5 HHBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 ZINC000500389005 1003684242 /nfs/dbraw/zinc/68/42/42/1003684242.db2.gz XKDKBAHZCBGLDK-SFHVURJKSA-N 1 0 415.515 3.892 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@]2(c3ccc(Cl)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000500400234 1003693496 /nfs/dbraw/zinc/69/34/96/1003693496.db2.gz SHBDZVXHEDPMPI-RNODOKPDSA-N 1 0 404.850 3.825 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000500441844 1003720676 /nfs/dbraw/zinc/72/06/76/1003720676.db2.gz ZEVMAUZBLSTSQQ-DLBZAZTESA-N 1 0 404.470 3.878 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)c2c(c1)COCO2 ZINC000500458021 1003729117 /nfs/dbraw/zinc/72/91/17/1003729117.db2.gz BNEXFIJVMCKWEW-HXUWFJFHSA-N 1 0 404.850 3.606 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511844599 1003822237 /nfs/dbraw/zinc/82/22/37/1003822237.db2.gz SZTXWFQQBFZLBM-INIZCTEOSA-N 1 0 407.392 3.926 20 5 HHBDRO O=[N+]([O-])c1cnc2ccc(N[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3c3ccccc3)nn21 ZINC000509516106 1003916969 /nfs/dbraw/zinc/91/69/69/1003916969.db2.gz NCSYFWRCPDRVRV-VQTJNVASSA-N 1 0 414.469 3.718 20 5 HHBDRO CC[N@@H+]1CCC[C@@H](CN(C)c2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H]1c1cnn(C)c1 ZINC000509601531 1003972396 /nfs/dbraw/zinc/97/23/96/1003972396.db2.gz LYIFAHQTJPWBCF-HTAPYJJXSA-N 1 0 408.506 3.786 20 5 HHBDRO CCOc1cccc(N(C)C[C@@H]2CCC[N@H+](CC)[C@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000509604091 1003974145 /nfs/dbraw/zinc/97/41/45/1003974145.db2.gz UIAKUDIXDOTJHF-OXJNMPFZSA-N 1 0 401.511 3.636 20 5 HHBDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000512067073 1003996514 /nfs/dbraw/zinc/99/65/14/1003996514.db2.gz KGBNMXXBDNVZIP-SFHVURJKSA-N 1 0 401.463 3.696 20 5 HHBDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000512070778 1003999708 /nfs/dbraw/zinc/99/97/08/1003999708.db2.gz HJYGHHIOVLFCEY-GQIGUUNPSA-N 1 0 416.547 3.792 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-])c1ccccn1 ZINC000509657240 1004009159 /nfs/dbraw/zinc/00/91/59/1004009159.db2.gz LFLGJXNHESKOSZ-QGZVFWFLSA-N 1 0 423.517 3.863 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512204763 1004106119 /nfs/dbraw/zinc/10/61/19/1004106119.db2.gz VLDJLFGYNRWAKY-QGZVFWFLSA-N 1 0 412.273 3.862 20 5 HHBDRO CC[C@H](NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000501071817 1004174753 /nfs/dbraw/zinc/17/47/53/1004174753.db2.gz VLOLJTGYROMTHQ-NRFANRHFSA-N 1 0 411.506 3.999 20 5 HHBDRO C[NH+](C)C[C@H]1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000512303772 1004204613 /nfs/dbraw/zinc/20/46/13/1004204613.db2.gz WKBXCVIYQXCOBE-QRWLVFNGSA-N 1 0 416.909 3.812 20 5 HHBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000501215438 1004285751 /nfs/dbraw/zinc/28/57/51/1004285751.db2.gz YZLMHLUJRIPBPX-XJKSGUPXSA-N 1 0 408.886 3.812 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000510053780 1004292875 /nfs/dbraw/zinc/29/28/75/1004292875.db2.gz GDDJXFQOXZPFLQ-HNNXBMFYSA-N 1 0 410.312 3.756 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2[N+](=O)[O-])C1 ZINC000512479710 1004332543 /nfs/dbraw/zinc/33/25/43/1004332543.db2.gz MZDFJUGXMFKXQU-SFHVURJKSA-N 1 0 402.539 3.827 20 5 HHBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1[N+](=O)[O-] ZINC000512576661 1004396330 /nfs/dbraw/zinc/39/63/30/1004396330.db2.gz DFHOLJWEEFWGIJ-INIZCTEOSA-N 1 0 423.560 3.580 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000512588500 1004404236 /nfs/dbraw/zinc/40/42/36/1004404236.db2.gz VXRZJMPKJIDKGJ-MSOLQXFVSA-N 1 0 402.539 3.825 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512696699 1004500955 /nfs/dbraw/zinc/50/09/55/1004500955.db2.gz DUIMAELBEDMXCA-AVKJRPAMSA-N 1 0 421.545 3.537 20 5 HHBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000501624460 1004559662 /nfs/dbraw/zinc/55/96/62/1004559662.db2.gz DGHRDNCBCHQQDY-UHFFFAOYSA-N 1 0 409.552 3.527 20 5 HHBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510519857 1004645020 /nfs/dbraw/zinc/64/50/20/1004645020.db2.gz CZOSCRAZNOXNHD-HRAATJIYSA-N 1 0 407.474 3.510 20 5 HHBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510520976 1004647109 /nfs/dbraw/zinc/64/71/09/1004647109.db2.gz FNWCYJKHIPGUSQ-HTAPYJJXSA-N 1 0 410.518 3.925 20 5 HHBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[NH+](C)C ZINC000510537944 1004671567 /nfs/dbraw/zinc/67/15/67/1004671567.db2.gz JKKBNEKKXOEWBX-IERDGZPVSA-N 1 0 407.474 3.510 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](N3CCOCC3)C(F)(F)F)s2)cc1 ZINC000512977336 1004740851 /nfs/dbraw/zinc/74/08/51/1004740851.db2.gz KDRDORVMZATKRQ-KRWDZBQOSA-N 1 0 415.437 3.676 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]CCn3cc(Br)cn3)o2)c([N+](=O)[O-])c1 ZINC000512978252 1004741550 /nfs/dbraw/zinc/74/15/50/1004741550.db2.gz ZVOGGVKHWXOFKQ-UHFFFAOYSA-N 1 0 421.251 3.612 20 5 HHBDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)s1 ZINC000513065628 1004787568 /nfs/dbraw/zinc/78/75/68/1004787568.db2.gz XCVQTBPNLJNOTL-CHWSQXEVSA-N 1 0 405.524 3.885 20 5 HHBDRO CCOc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000513121102 1004817989 /nfs/dbraw/zinc/81/79/89/1004817989.db2.gz YLFPJOUWYKWCNE-CVEARBPZSA-N 1 0 415.490 3.700 20 5 HHBDRO CCC[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)c1cccc([N+](=O)[O-])c1 ZINC000502020371 1004864825 /nfs/dbraw/zinc/86/48/25/1004864825.db2.gz VUZXCQMIALXYMC-YTFSRNRJSA-N 1 0 422.529 3.625 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000513216827 1004866283 /nfs/dbraw/zinc/86/62/83/1004866283.db2.gz HIQQVZUXGTUDSN-NRFANRHFSA-N 1 0 422.529 3.592 20 5 HHBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510839672 1004884871 /nfs/dbraw/zinc/88/48/71/1004884871.db2.gz WLPLYKCKRFLNHW-UHFFFAOYSA-N 1 0 420.416 3.766 20 5 HHBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000511046606 1004996177 /nfs/dbraw/zinc/99/61/77/1004996177.db2.gz LHYSGHSRHNNWCA-UHFFFAOYSA-N 1 0 411.462 3.547 20 5 HHBDRO C[C@@H]1C[C@@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000513668474 1005074998 /nfs/dbraw/zinc/07/49/98/1005074998.db2.gz ZFASQQOMMZOZQW-NQSCKRDGSA-N 1 0 405.502 3.670 20 5 HHBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513728689 1005099440 /nfs/dbraw/zinc/09/94/40/1005099440.db2.gz BLNNSHCYIBWSEV-UHFFFAOYSA-N 1 0 420.416 3.509 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(C(F)(F)F)cc1 ZINC000502528420 1005104279 /nfs/dbraw/zinc/10/42/79/1005104279.db2.gz BRDWWSRJZBEWJM-INIZCTEOSA-N 1 0 412.412 3.765 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502562126 1005119666 /nfs/dbraw/zinc/11/96/66/1005119666.db2.gz FZGQGJGUNMQHPR-NRFANRHFSA-N 1 0 417.893 3.877 20 5 HHBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000502566677 1005121831 /nfs/dbraw/zinc/12/18/31/1005121831.db2.gz RZNPTLJGTGHTTO-AWEZNQCLSA-N 1 0 415.412 3.626 20 5 HHBDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513826115 1005147360 /nfs/dbraw/zinc/14/73/60/1005147360.db2.gz PCHFPRUCUCCEST-SJBKTWHCSA-N 1 0 423.561 3.501 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000502875199 1005253717 /nfs/dbraw/zinc/25/37/17/1005253717.db2.gz BYLKHGDMNDOCJB-NRFANRHFSA-N 1 0 401.438 3.811 20 5 HHBDRO CC[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000514096822 1005263825 /nfs/dbraw/zinc/26/38/25/1005263825.db2.gz XYTPHRYFMWXXAX-GMAHTHKFSA-N 1 0 419.529 3.844 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000502908587 1005269717 /nfs/dbraw/zinc/26/97/17/1005269717.db2.gz GGEXKQMZBRYJSY-UYAOXDASSA-N 1 0 414.550 3.922 20 5 HHBDRO CCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502919881 1005274811 /nfs/dbraw/zinc/27/48/11/1005274811.db2.gz PMLCUXXJAHWHHP-KRWDZBQOSA-N 1 0 424.501 3.613 20 5 HHBDRO COc1ccc(CCC[N@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000511725835 1005293913 /nfs/dbraw/zinc/29/39/13/1005293913.db2.gz WZBBVSISMZWSOF-OAHLLOKOSA-N 1 0 401.463 3.504 20 5 HHBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000502994567 1005308215 /nfs/dbraw/zinc/30/82/15/1005308215.db2.gz CRYFXHOMDJOYIT-LJQANCHMSA-N 1 0 402.539 3.582 20 5 HHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000511768967 1005316588 /nfs/dbraw/zinc/31/65/88/1005316588.db2.gz LPALTRIILXVBOU-OAQYLSRUSA-N 1 0 410.518 3.737 20 5 HHBDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000511778316 1005322550 /nfs/dbraw/zinc/32/25/50/1005322550.db2.gz ZIHKJYOMCLRIFG-AOIWGVFYSA-N 1 0 415.877 3.691 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)n2)cc1 ZINC000511780637 1005323702 /nfs/dbraw/zinc/32/37/02/1005323702.db2.gz ITOSCMLXBIDQRD-AQNXPRMDSA-N 1 0 406.442 3.649 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000503204581 1005368018 /nfs/dbraw/zinc/36/80/18/1005368018.db2.gz KZUWTDPZDNCZMT-UHFFFAOYSA-N 1 0 411.506 3.627 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503426636 1005416882 /nfs/dbraw/zinc/41/68/82/1005416882.db2.gz ABKKUZBPOOXQLQ-QGZVFWFLSA-N 1 0 411.506 3.644 20 5 HHBDRO COc1ccc([C@H]2C[C@H]([NH2+][C@@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1F ZINC000503905420 1005508398 /nfs/dbraw/zinc/50/83/98/1005508398.db2.gz AICPLIAOKQHMDH-QRTARXTBSA-N 1 0 401.438 3.995 20 5 HHBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)c2)CC1 ZINC000504207017 1005573308 /nfs/dbraw/zinc/57/33/08/1005573308.db2.gz DIFDLIHTZTVQGB-UHFFFAOYSA-N 1 0 407.474 3.859 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H]1c1ccccc1 ZINC000534019283 1005989975 /nfs/dbraw/zinc/98/99/75/1005989975.db2.gz OTBUIJORZNSPBI-OFVILXPXSA-N 1 0 411.505 3.716 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@]3(O)CCSC3)o2)c(Br)c1 ZINC000531107929 1005997919 /nfs/dbraw/zinc/99/79/19/1005997919.db2.gz QNAAMZNEBJVKHO-INIZCTEOSA-N 1 0 413.293 3.575 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000531306499 1006107137 /nfs/dbraw/zinc/10/71/37/1006107137.db2.gz OHHDFCOFAFEBMC-IBGZPJMESA-N 1 0 400.866 3.622 20 5 HHBDRO COc1cc(C[NH2+]C[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1O ZINC000534239804 1006245536 /nfs/dbraw/zinc/24/55/36/1006245536.db2.gz GMBZOLYLUSMDDK-XCLFUZPHSA-N 1 0 423.872 3.884 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000515021058 1006254894 /nfs/dbraw/zinc/25/48/94/1006254894.db2.gz VNOOFLVRBQHQCJ-QMIHWGKISA-N 1 0 416.909 3.919 20 5 HHBDRO CCc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000534361070 1006326468 /nfs/dbraw/zinc/32/64/68/1006326468.db2.gz DEPRNUZWKPEZQH-RTWAWAEBSA-N 1 0 416.566 3.566 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000515513233 1006507307 /nfs/dbraw/zinc/50/73/07/1006507307.db2.gz APHIVLVSVZWHDR-UHFFFAOYSA-N 1 0 415.943 3.525 20 5 HHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000515523346 1006513268 /nfs/dbraw/zinc/51/32/68/1006513268.db2.gz STUVMDXJEWRFNT-UONOGXRCSA-N 1 0 411.462 3.557 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCCC[C@H]3N3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000531916489 1006518727 /nfs/dbraw/zinc/51/87/27/1006518727.db2.gz XTOZYVLEKZSJLM-VQTJNVASSA-N 1 0 415.490 3.596 20 5 HHBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC1CC[NH+](CC2CC2)CC1 ZINC000515555209 1006532191 /nfs/dbraw/zinc/53/21/91/1006532191.db2.gz UIHGHLKZUKLSEJ-UHFFFAOYSA-N 1 0 405.296 3.614 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3Cn3cnc4ccccc43)o2)cc1 ZINC000534579196 1006566979 /nfs/dbraw/zinc/56/69/79/1006566979.db2.gz GGEDQFOTJDHMGX-KRWDZBQOSA-N 1 0 404.430 3.659 20 5 HHBDRO COc1ccc(CNC(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc1[N+](=O)[O-] ZINC000534598896 1006579941 /nfs/dbraw/zinc/57/99/41/1006579941.db2.gz IYWRQFONLAOYGH-UHFFFAOYSA-N 1 0 419.441 3.840 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[NH+]2CCCC2)cc1 ZINC000534626745 1006608620 /nfs/dbraw/zinc/60/86/20/1006608620.db2.gz JEODSUKUSXUZGF-JOCHJYFZSA-N 1 0 406.486 3.880 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@H](COc2ccccc2F)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000538392057 1006661771 /nfs/dbraw/zinc/66/17/71/1006661771.db2.gz IRZKJMKNFOZZDE-LJQANCHMSA-N 1 0 419.453 3.764 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000515841541 1006712356 /nfs/dbraw/zinc/71/23/56/1006712356.db2.gz AMCJBRVKARMVTK-IIBYNOLFSA-N 1 0 412.490 3.801 20 5 HHBDRO COc1ccc(CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000532238040 1006741784 /nfs/dbraw/zinc/74/17/84/1006741784.db2.gz DWKMFOHCMYFRQB-SFTDATJTSA-N 1 0 423.513 3.659 20 5 HHBDRO O=C([C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N1CCOCC1 ZINC000538739429 1007022179 /nfs/dbraw/zinc/02/21/79/1007022179.db2.gz GMSZUBFTHKZXCZ-LJQANCHMSA-N 1 0 415.515 3.537 20 5 HHBDRO C[N@@H+]1CC[C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000534972039 1007029076 /nfs/dbraw/zinc/02/90/76/1007029076.db2.gz QJEHQWAJXNELSM-FZKQIMNGSA-N 1 0 406.845 3.591 20 5 HHBDRO C[C@H]1C[C@@H](CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000538764634 1007049517 /nfs/dbraw/zinc/04/95/17/1007049517.db2.gz RAJXZSLKTDHFSJ-GOEBONIOSA-N 1 0 423.560 3.772 20 5 HHBDRO Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000532655571 1007073252 /nfs/dbraw/zinc/07/32/52/1007073252.db2.gz YVVOMHSTQCFFII-LJQANCHMSA-N 1 0 407.470 3.914 20 5 HHBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000538806255 1007085410 /nfs/dbraw/zinc/08/54/10/1007085410.db2.gz PWOGTWFQWKTOEL-UHFFFAOYSA-N 1 0 406.442 3.739 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCSC[C@H]2CCO)cc1 ZINC000538812110 1007091727 /nfs/dbraw/zinc/09/17/27/1007091727.db2.gz XUKRKWWTTUNXIB-OAQYLSRUSA-N 1 0 424.526 3.747 20 5 HHBDRO C[NH+]1CCN(C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)c2ccccc2)CC1 ZINC000538870294 1007148786 /nfs/dbraw/zinc/14/87/86/1007148786.db2.gz URETXTPWMKBUSC-QGZVFWFLSA-N 1 0 406.433 3.597 20 5 HHBDRO Cn1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000516686085 1007231947 /nfs/dbraw/zinc/23/19/47/1007231947.db2.gz OWIDMIBELSZEIO-DNVJHFABSA-N 1 0 418.497 4.000 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000516767460 1007281122 /nfs/dbraw/zinc/28/11/22/1007281122.db2.gz QFMCEUJZXQJDAH-OAHLLOKOSA-N 1 0 405.495 3.805 20 5 HHBDRO CC(C)n1cnnc1[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000535271306 1007321603 /nfs/dbraw/zinc/32/16/03/1007321603.db2.gz QEZYNJWJCUVFOE-ZBFHGGJFSA-N 1 0 411.466 3.758 20 5 HHBDRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539044827 1007342038 /nfs/dbraw/zinc/34/20/38/1007342038.db2.gz VKYNKNNTCUHNLH-CQSZACIVSA-N 1 0 423.560 3.646 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000539075014 1007365794 /nfs/dbraw/zinc/36/57/94/1007365794.db2.gz ODDFBQYNDIPTNJ-QGZVFWFLSA-N 1 0 419.547 3.736 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000539075581 1007365946 /nfs/dbraw/zinc/36/59/46/1007365946.db2.gz IIZCOBPXRHUUPK-TZIWHRDSSA-N 1 0 401.551 3.931 20 5 HHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000539086108 1007374610 /nfs/dbraw/zinc/37/46/10/1007374610.db2.gz CPSNZHIPQCEQIH-FQEVSTJZSA-N 1 0 424.545 3.635 20 5 HHBDRO CC[N@H+](CCC1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1)CC(C)C ZINC000539099356 1007387483 /nfs/dbraw/zinc/38/74/83/1007387483.db2.gz BGVOJGMJEDHVSO-UHFFFAOYSA-N 1 0 416.566 3.564 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2nc(C)cs2)CCCC1 ZINC000533065021 1007428181 /nfs/dbraw/zinc/42/81/81/1007428181.db2.gz UPCHZISRPAKFDO-UHFFFAOYSA-N 1 0 404.492 3.756 20 5 HHBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000533142031 1007479878 /nfs/dbraw/zinc/47/98/78/1007479878.db2.gz ADSDTSYDBLKLSL-UHFFFAOYSA-N 1 0 410.518 3.835 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000539243671 1007537989 /nfs/dbraw/zinc/53/79/89/1007537989.db2.gz POOUHKJOUPAVBE-MRXNPFEDSA-N 1 0 405.520 3.785 20 5 HHBDRO COc1cc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)ccc1OCc1ccccc1 ZINC000539254617 1007547987 /nfs/dbraw/zinc/54/79/87/1007547987.db2.gz BSKXOCJZYLKKKO-QGZVFWFLSA-N 1 0 423.469 3.695 20 5 HHBDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000539255815 1007549696 /nfs/dbraw/zinc/54/96/96/1007549696.db2.gz QZBXMCVNZLNLRN-AWEZNQCLSA-N 1 0 424.457 3.592 20 5 HHBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccn2)c1 ZINC000539256620 1007550848 /nfs/dbraw/zinc/55/08/48/1007550848.db2.gz FMBKACUEUFCWTP-KRWDZBQOSA-N 1 0 420.469 3.882 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1OC ZINC000539268960 1007564346 /nfs/dbraw/zinc/56/43/46/1007564346.db2.gz OBKBUYRKYPLPEB-ZIAGYGMSSA-N 1 0 417.462 3.689 20 5 HHBDRO Cc1ccc(C(=O)C2CC[NH+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000533246368 1007565438 /nfs/dbraw/zinc/56/54/38/1007565438.db2.gz ZOXWHHVVWMKKBB-UHFFFAOYSA-N 1 0 423.469 3.796 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000533248189 1007566768 /nfs/dbraw/zinc/56/67/68/1007566768.db2.gz RRXMSKIWHVGJSH-LJQANCHMSA-N 1 0 411.458 3.574 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000533270678 1007585394 /nfs/dbraw/zinc/58/53/94/1007585394.db2.gz GJSUJTFFDHZEKV-MSOLQXFVSA-N 1 0 418.538 3.518 20 5 HHBDRO CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000533269912 1007585421 /nfs/dbraw/zinc/58/54/21/1007585421.db2.gz BTCSSSLRVHQYHP-WIYYLYMNSA-N 1 0 410.518 3.999 20 5 HHBDRO CC1(C)CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000533288120 1007599958 /nfs/dbraw/zinc/59/99/58/1007599958.db2.gz PYVGPAZTSFQHPP-UHFFFAOYSA-N 1 0 407.474 3.741 20 5 HHBDRO COCCSc1ccc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000539307269 1007605260 /nfs/dbraw/zinc/60/52/60/1007605260.db2.gz RQEKYMHAHRNNAQ-HNNXBMFYSA-N 1 0 403.504 3.647 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000533301919 1007619376 /nfs/dbraw/zinc/61/93/76/1007619376.db2.gz QTGNDUYKRFBGPG-GOEBONIOSA-N 1 0 401.438 3.634 20 5 HHBDRO Cc1cccc(C)c1OC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000539325929 1007624962 /nfs/dbraw/zinc/62/49/62/1007624962.db2.gz SBPQMTLNCYDDNY-OAQYLSRUSA-N 1 0 407.470 3.783 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000539331246 1007631220 /nfs/dbraw/zinc/63/12/20/1007631220.db2.gz LUBGCDRJMSIGCP-VQIMIIECSA-N 1 0 411.458 3.650 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)c1 ZINC000539334742 1007634493 /nfs/dbraw/zinc/63/44/93/1007634493.db2.gz HWPKRYOYLFGTEW-YMPZKCBVSA-N 1 0 406.486 3.603 20 5 HHBDRO COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000539362123 1007664614 /nfs/dbraw/zinc/66/46/14/1007664614.db2.gz MHAOKFLBJBLHAS-HSZRJFAPSA-N 1 0 421.497 3.956 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](CCCn3ccnc3)CC2)s1 ZINC000539362816 1007665384 /nfs/dbraw/zinc/66/53/84/1007665384.db2.gz CAGDCVUDBJUJRY-UHFFFAOYSA-N 1 0 411.531 3.728 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1 ZINC000539421665 1007727987 /nfs/dbraw/zinc/72/79/87/1007727987.db2.gz QDSXFQUISIBSRI-XJKSGUPXSA-N 1 0 418.803 3.565 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000533435186 1007748490 /nfs/dbraw/zinc/74/84/90/1007748490.db2.gz LZNZBPQPBBBXNK-SFHVURJKSA-N 1 0 401.488 3.722 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000517601962 1007805054 /nfs/dbraw/zinc/80/50/54/1007805054.db2.gz MVZZRTHWUZJZEA-LJQANCHMSA-N 1 0 414.531 3.595 20 5 HHBDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000533502107 1007812904 /nfs/dbraw/zinc/81/29/04/1007812904.db2.gz USUCDVFCINPXAO-GOSISDBHSA-N 1 0 412.490 3.816 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1)Nc1cccc(F)c1 ZINC000533508022 1007823940 /nfs/dbraw/zinc/82/39/40/1007823940.db2.gz NUQHPWMZCXENLH-INIZCTEOSA-N 1 0 416.453 3.646 20 5 HHBDRO COc1ccc(CC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)cc1[N+](=O)[O-] ZINC000517620173 1007826972 /nfs/dbraw/zinc/82/69/72/1007826972.db2.gz JMLCBPIXWAJCIP-KRWDZBQOSA-N 1 0 411.502 3.926 20 5 HHBDRO COc1ccc(CC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)cc1[N+](=O)[O-] ZINC000517620174 1007826993 /nfs/dbraw/zinc/82/69/93/1007826993.db2.gz JMLCBPIXWAJCIP-QGZVFWFLSA-N 1 0 411.502 3.926 20 5 HHBDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000533523106 1007842871 /nfs/dbraw/zinc/84/28/71/1007842871.db2.gz RGDVKTOOFQVTQN-KRWDZBQOSA-N 1 0 423.307 3.708 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)cc2[N+](=O)[O-])C1 ZINC000535986517 1008025138 /nfs/dbraw/zinc/02/51/38/1008025138.db2.gz PGSKZYLABPGHOA-XLIONFOSSA-N 1 0 414.550 3.635 20 5 HHBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000536095495 1008118277 /nfs/dbraw/zinc/11/82/77/1008118277.db2.gz MWYOUVQEGBMERI-OAQYLSRUSA-N 1 0 424.501 3.745 20 5 HHBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000539932075 1008190864 /nfs/dbraw/zinc/19/08/64/1008190864.db2.gz QXTCUVZCUCUXCD-SFHVURJKSA-N 1 0 403.866 3.824 20 5 HHBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000533960564 1008234981 /nfs/dbraw/zinc/23/49/81/1008234981.db2.gz WBSCBMBEFULKPW-UHFFFAOYSA-N 1 0 420.513 3.786 20 5 HHBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000533970248 1008240718 /nfs/dbraw/zinc/24/07/18/1008240718.db2.gz CPNPOWPYIMXQLC-OAQYLSRUSA-N 1 0 424.501 3.517 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1Cc1ccccc1 ZINC000533994527 1008254606 /nfs/dbraw/zinc/25/46/06/1008254606.db2.gz ONOYXFSASSWCKC-VQIMIIECSA-N 1 0 406.486 3.788 20 5 HHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540097469 1008286130 /nfs/dbraw/zinc/28/61/30/1008286130.db2.gz AOFRCYHYZUUECO-HNNXBMFYSA-N 1 0 400.504 3.503 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000540143675 1008310486 /nfs/dbraw/zinc/31/04/86/1008310486.db2.gz HCHCNKYZBRNGAF-VVUGWJFESA-N 1 0 419.428 3.894 20 5 HHBDRO CC[N@H+](CCC1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1)CC(C)C ZINC000540205504 1008335176 /nfs/dbraw/zinc/33/51/76/1008335176.db2.gz IFQQEXCQXTWQTG-UHFFFAOYSA-N 1 0 411.568 3.583 20 5 HHBDRO CCOc1cc(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000518626444 1008370707 /nfs/dbraw/zinc/37/07/07/1008370707.db2.gz YYFUCPIQKMIDFY-GJZGRUSLSA-N 1 0 408.499 3.777 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cccc1[N+](=O)[O-] ZINC000540354055 1008395591 /nfs/dbraw/zinc/39/55/91/1008395591.db2.gz IIFPOSSLLUEWDI-HNNXBMFYSA-N 1 0 410.474 3.931 20 5 HHBDRO CCOc1cc(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)c([N+](=O)[O-])cc1OC ZINC000540431777 1008430954 /nfs/dbraw/zinc/43/09/54/1008430954.db2.gz NZWYPTLFPPUGEM-UHFFFAOYSA-N 1 0 413.474 3.891 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000518833129 1008437815 /nfs/dbraw/zinc/43/78/15/1008437815.db2.gz ZOXDDCVVNIXGEX-YVEFUNNKSA-N 1 0 409.845 3.574 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000518875674 1008455678 /nfs/dbraw/zinc/45/56/78/1008455678.db2.gz XSQCGQIIRLXCPM-HNNXBMFYSA-N 1 0 405.882 3.654 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000518876726 1008456042 /nfs/dbraw/zinc/45/60/42/1008456042.db2.gz ZGCLPWRJFQDYTG-BBRMVZONSA-N 1 0 407.854 3.562 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000542961895 1008534848 /nfs/dbraw/zinc/53/48/48/1008534848.db2.gz MPJBMGYWPNIGTJ-LJQANCHMSA-N 1 0 414.462 3.571 20 5 HHBDRO COc1ccc(NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000542964621 1008537233 /nfs/dbraw/zinc/53/72/33/1008537233.db2.gz KIRFMORRERSWMA-UHFFFAOYSA-N 1 0 400.479 3.632 20 5 HHBDRO COc1cc(OCc2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)ccc1[N+](=O)[O-] ZINC000545678905 1008771176 /nfs/dbraw/zinc/77/11/76/1008771176.db2.gz CPCBIIRRLJLMOB-UHFFFAOYSA-N 1 0 410.430 3.828 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000549301207 1008876404 /nfs/dbraw/zinc/87/64/04/1008876404.db2.gz UDBVFJQVHJZBMX-AUUYWEPGSA-N 1 0 403.504 3.868 20 5 HHBDRO O=C(C[NH2+][C@H](Cc1ccccc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000543471174 1009060084 /nfs/dbraw/zinc/06/00/84/1009060084.db2.gz ZVUNLPKBXRNHAS-GOSISDBHSA-N 1 0 418.291 3.907 20 5 HHBDRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)c(C)c2c1 ZINC000543509575 1009098521 /nfs/dbraw/zinc/09/85/21/1009098521.db2.gz MMHDNBKNDYTELD-AWEZNQCLSA-N 1 0 409.442 3.898 20 5 HHBDRO C[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543550093 1009153145 /nfs/dbraw/zinc/15/31/45/1009153145.db2.gz GDZYGHSAPQHXMM-HUUCEWRRSA-N 1 0 405.495 3.927 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccnc(N4CCOCC4)c3)s2)cc1 ZINC000549560329 1009178128 /nfs/dbraw/zinc/17/81/28/1009178128.db2.gz JUVWVWABJMSDAJ-UHFFFAOYSA-N 1 0 410.499 3.845 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2Cc2cccs2)c1 ZINC000549576362 1009200644 /nfs/dbraw/zinc/20/06/44/1009200644.db2.gz YFAXELILFLNHOZ-UHFFFAOYSA-N 1 0 424.530 3.638 20 5 HHBDRO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546183375 1009213133 /nfs/dbraw/zinc/21/31/33/1009213133.db2.gz CVFMILBUWINMGU-LJQANCHMSA-N 1 0 401.894 3.914 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000543691896 1009301341 /nfs/dbraw/zinc/30/13/41/1009301341.db2.gz MRELOYDRKPXEQG-UHFFFAOYSA-N 1 0 400.454 3.906 20 5 HHBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000543891707 1009471204 /nfs/dbraw/zinc/47/12/04/1009471204.db2.gz GXRAVIBQEZJNLM-GOSISDBHSA-N 1 0 412.490 3.979 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)o1 ZINC000546584119 1009608998 /nfs/dbraw/zinc/60/89/98/1009608998.db2.gz NRTWNMIEFAUTER-GOSISDBHSA-N 1 0 403.454 3.866 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000550291357 1009837474 /nfs/dbraw/zinc/83/74/74/1009837474.db2.gz BOVOQHCHKGHGBV-KBXCAEBGSA-N 1 0 401.438 3.584 20 5 HHBDRO CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546889106 1009848728 /nfs/dbraw/zinc/84/87/28/1009848728.db2.gz PPDZFFBZJYPTDS-KRWDZBQOSA-N 1 0 419.428 3.933 20 5 HHBDRO CC(C)c1ccc([C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2cccs2)cc1 ZINC000520953819 1010003471 /nfs/dbraw/zinc/00/34/71/1010003471.db2.gz OPHZDDNGEBOPSV-AZUAARDMSA-N 1 0 400.504 3.716 20 5 HHBDRO CC(C)c1ccc([C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2cccs2)cc1 ZINC000520953822 1010003903 /nfs/dbraw/zinc/00/39/03/1010003903.db2.gz OPHZDDNGEBOPSV-ICSRJNTNSA-N 1 0 400.504 3.716 20 5 HHBDRO C[C@H]([NH2+]C1(CNc2ncnc3cccc([N+](=O)[O-])c32)CCOCC1)c1ccccc1 ZINC000544395219 1010016044 /nfs/dbraw/zinc/01/60/44/1010016044.db2.gz UBEMLCXLHMBJLL-INIZCTEOSA-N 1 0 407.474 3.850 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000550649955 1010082572 /nfs/dbraw/zinc/08/25/72/1010082572.db2.gz LCQWNSRMFKCTHH-QGZVFWFLSA-N 1 0 406.280 3.698 20 5 HHBDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000521068907 1010086643 /nfs/dbraw/zinc/08/66/43/1010086643.db2.gz QSWXKBZZLZJNIG-AWEZNQCLSA-N 1 0 406.433 3.707 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000544527999 1010156831 /nfs/dbraw/zinc/15/68/31/1010156831.db2.gz CGUQLPCJYPCXBS-FXAWDEMLSA-N 1 0 401.438 3.833 20 5 HHBDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000544616254 1010241843 /nfs/dbraw/zinc/24/18/43/1010241843.db2.gz WYHIXJQOAUDGRV-SFTDATJTSA-N 1 0 402.516 3.820 20 5 HHBDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000544616252 1010242077 /nfs/dbraw/zinc/24/20/77/1010242077.db2.gz WYHIXJQOAUDGRV-RTWAWAEBSA-N 1 0 402.516 3.820 20 5 HHBDRO CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544894357 1010471362 /nfs/dbraw/zinc/47/13/62/1010471362.db2.gz PZINXFJWCBKPIE-FQEVSTJZSA-N 1 0 407.474 3.741 20 5 HHBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544895503 1010472147 /nfs/dbraw/zinc/47/21/47/1010472147.db2.gz XXEZYDQWZVDQHZ-OAQYLSRUSA-N 1 0 410.518 3.828 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000521639908 1010517339 /nfs/dbraw/zinc/51/73/39/1010517339.db2.gz DWJXNIKNLYQALS-WMZOPIPTSA-N 1 0 400.523 3.578 20 5 HHBDRO CCc1nncn1CC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000548117595 1010537412 /nfs/dbraw/zinc/53/74/12/1010537412.db2.gz PZWUTVDKTIMBKJ-UHFFFAOYSA-N 1 0 401.854 3.984 20 5 HHBDRO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000521687195 1010551237 /nfs/dbraw/zinc/55/12/37/1010551237.db2.gz NAXKBTTZDGWPMU-JOCHJYFZSA-N 1 0 424.501 3.665 20 5 HHBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1 ZINC000548443999 1010629088 /nfs/dbraw/zinc/62/90/88/1010629088.db2.gz NXVWXKFVYNRWTE-UHFFFAOYSA-N 1 0 411.289 3.805 20 5 HHBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000521858022 1010666796 /nfs/dbraw/zinc/66/67/96/1010666796.db2.gz PJSFAYMJHMOSCI-LJQANCHMSA-N 1 0 402.882 3.857 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000545251415 1010704599 /nfs/dbraw/zinc/70/45/99/1010704599.db2.gz XTZOLPRSTQLGKB-UHFFFAOYSA-N 1 0 412.490 3.776 20 5 HHBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000545363105 1010752325 /nfs/dbraw/zinc/75/23/25/1010752325.db2.gz QIAKJVGWBCVOIX-UHFFFAOYSA-N 1 0 417.531 3.590 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)[C@@H](C)C1 ZINC000522433270 1011008565 /nfs/dbraw/zinc/00/85/65/1011008565.db2.gz QLMDDRGRAKEPSV-GHTZIAJQSA-N 1 0 420.554 3.652 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000522583764 1011093153 /nfs/dbraw/zinc/09/31/53/1011093153.db2.gz UIBYYCRFGPCURS-KRWDZBQOSA-N 1 0 409.845 3.575 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000540622127 1011272641 /nfs/dbraw/zinc/27/26/41/1011272641.db2.gz NDVKQNISFULAGU-AZUAARDMSA-N 1 0 411.502 3.699 20 5 HHBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000540628559 1011277028 /nfs/dbraw/zinc/27/70/28/1011277028.db2.gz RBOLOBZULUMZLG-HXUWFJFHSA-N 1 0 405.458 3.583 20 5 HHBDRO COc1ccc(C[NH2+]CCc2ncc(C)cn2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000536163550 1011292640 /nfs/dbraw/zinc/29/26/40/1011292640.db2.gz QRLREZXHHSMCRG-UHFFFAOYSA-N 1 0 408.458 3.613 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000536261298 1011426313 /nfs/dbraw/zinc/42/63/13/1011426313.db2.gz BHBRQCSZVWTBPQ-OXQOHEQNSA-N 1 0 403.866 3.579 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[NH+]2CCCC2)c1 ZINC000536507728 1011709329 /nfs/dbraw/zinc/70/93/29/1011709329.db2.gz RCVRXJRYDXQNEL-HXUWFJFHSA-N 1 0 408.458 3.652 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000523284744 1011764612 /nfs/dbraw/zinc/76/46/12/1011764612.db2.gz BXAZQPDFXHRDBG-MJGOQNOKSA-N 1 0 400.523 3.532 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000523285468 1011765566 /nfs/dbraw/zinc/76/55/66/1011765566.db2.gz OYDYENWUDZFGLQ-NSHGMRRFSA-N 1 0 414.550 3.778 20 5 HHBDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000536665495 1011815669 /nfs/dbraw/zinc/81/56/69/1011815669.db2.gz MQADHIKPOORRAY-LBPRGKRZSA-N 1 0 422.279 3.705 20 5 HHBDRO CNc1ccc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cc1[N+](=O)[O-] ZINC000523342030 1011821320 /nfs/dbraw/zinc/82/13/20/1011821320.db2.gz MMTLTMBEEGSCCL-UHFFFAOYSA-N 1 0 400.504 3.746 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000536697160 1011864955 /nfs/dbraw/zinc/86/49/55/1011864955.db2.gz MAXHBPJWTGRLDS-AWEZNQCLSA-N 1 0 418.412 3.793 20 5 HHBDRO CC(C)N1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1=O ZINC000523390962 1011869333 /nfs/dbraw/zinc/86/93/33/1011869333.db2.gz NYLFSCFKZMZZMD-LBPRGKRZSA-N 1 0 422.279 3.716 20 5 HHBDRO COc1ccc(C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000536743470 1011926300 /nfs/dbraw/zinc/92/63/00/1011926300.db2.gz DNTFSAOVXGWWOQ-NVXWUHKLSA-N 1 0 402.495 3.926 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)CSc2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000541261546 1011948294 /nfs/dbraw/zinc/94/82/94/1011948294.db2.gz HPAOFADMRONPQG-KUHUBIRLSA-N 1 0 405.545 3.948 20 5 HHBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000523486151 1012002298 /nfs/dbraw/zinc/00/22/98/1012002298.db2.gz YAQGKGKKWUKDTA-UHFFFAOYSA-N 1 0 418.291 3.752 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CC)CS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000536825985 1012054930 /nfs/dbraw/zinc/05/49/30/1012054930.db2.gz KKDFHNGENWBBRE-NVXWUHKLSA-N 1 0 406.504 3.897 20 5 HHBDRO O=C1C[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000536837570 1012067294 /nfs/dbraw/zinc/06/72/94/1012067294.db2.gz GGPURTQSFRTWIH-URVUXULASA-N 1 0 407.514 3.944 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)cc1[N+](=O)[O-] ZINC000536848780 1012079065 /nfs/dbraw/zinc/07/90/65/1012079065.db2.gz ZXCZDIFQOMWHEX-HIFRSBDPSA-N 1 0 409.280 3.756 20 5 HHBDRO CC(C)(C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000523546965 1012080960 /nfs/dbraw/zinc/08/09/60/1012080960.db2.gz RCWPCBZMHQBGSW-UHFFFAOYSA-N 1 0 424.545 3.591 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)nnn1-c1ccc(Cl)cc1 ZINC000536860129 1012094500 /nfs/dbraw/zinc/09/45/00/1012094500.db2.gz WRDLYSSXCQIQQU-CYBMUJFWSA-N 1 0 401.854 3.867 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000536867728 1012106966 /nfs/dbraw/zinc/10/69/66/1012106966.db2.gz FNRJNTWIFOEXSL-YGWPLHOASA-N 1 0 409.486 3.801 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000552096902 1012112522 /nfs/dbraw/zinc/11/25/22/1012112522.db2.gz MYQWYWCGKGAFRO-CQSZACIVSA-N 1 0 404.898 3.792 20 5 HHBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000552148467 1012170144 /nfs/dbraw/zinc/17/01/44/1012170144.db2.gz JODLPUPXPGVXOH-UHFFFAOYSA-N 1 0 417.469 3.680 20 5 HHBDRO Cn1ccnc1[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552248534 1012260110 /nfs/dbraw/zinc/26/01/10/1012260110.db2.gz KMQBSTNTEVKCTO-NZQKXSOJSA-N 1 0 419.529 3.572 20 5 HHBDRO CC1CCC([NH+]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)CC1 ZINC000523720400 1012331224 /nfs/dbraw/zinc/33/12/24/1012331224.db2.gz DNWITXNKBVYEHN-UHFFFAOYSA-N 1 0 414.550 3.534 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000541553823 1012342117 /nfs/dbraw/zinc/34/21/17/1012342117.db2.gz NCEWIMGFZCKQHO-IRXDYDNUSA-N 1 0 423.469 3.691 20 5 HHBDRO C[C@@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541600923 1012397105 /nfs/dbraw/zinc/39/71/05/1012397105.db2.gz DHIYZQBAOZMYMS-MRXNPFEDSA-N 1 0 415.465 3.975 20 5 HHBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000541602911 1012400527 /nfs/dbraw/zinc/40/05/27/1012400527.db2.gz ZVIDKQVILCTAKD-LLVKDONJSA-N 1 0 413.400 3.650 20 5 HHBDRO Cn1cc(C[NH2+]CCc2ccc(OC(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537213222 1012635847 /nfs/dbraw/zinc/63/58/47/1012635847.db2.gz BRLBVFYZQKIJMA-UHFFFAOYSA-N 1 0 402.401 3.929 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000541776545 1012644038 /nfs/dbraw/zinc/64/40/38/1012644038.db2.gz XZSNXYSRNPXMGF-KRWDZBQOSA-N 1 0 409.364 3.697 20 5 HHBDRO C[C@H](C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541798031 1012675304 /nfs/dbraw/zinc/67/53/04/1012675304.db2.gz XPQMDOUHCVEODZ-ZACQAIPSSA-N 1 0 421.513 3.575 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000541813927 1012700573 /nfs/dbraw/zinc/70/05/73/1012700573.db2.gz NBOPLARJCAOIOA-HNAYVOBHSA-N 1 0 423.560 3.635 20 5 HHBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000523979377 1012727216 /nfs/dbraw/zinc/72/72/16/1012727216.db2.gz HHYFMKGNMOARTP-GOSISDBHSA-N 1 0 417.893 3.970 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])s1 ZINC000537300878 1012757685 /nfs/dbraw/zinc/75/76/85/1012757685.db2.gz OWWRVDZXZUJOIB-CLFYSBASSA-N 1 0 423.560 3.532 20 5 HHBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000552751924 1012758018 /nfs/dbraw/zinc/75/80/18/1012758018.db2.gz LEAJPAHWYVXXTH-UHFFFAOYSA-N 1 0 414.487 3.905 20 5 HHBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000524122231 1012899879 /nfs/dbraw/zinc/89/98/79/1012899879.db2.gz JPNUPPQPHZIYIT-MJGOQNOKSA-N 1 0 417.531 3.577 20 5 HHBDRO CC1CC[NH+]([C@@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)c2cccs2)CC1 ZINC000552911121 1012911259 /nfs/dbraw/zinc/91/12/59/1012911259.db2.gz LRWZAEXMOSDKKF-KRWDZBQOSA-N 1 0 413.503 4.190 20 5 HHBDRO CC1CC[NH+](Cc2ccccc2CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000552940566 1012931630 /nfs/dbraw/zinc/93/16/30/1012931630.db2.gz BQBLZHFRXWJRJJ-UHFFFAOYSA-N 1 0 407.474 4.088 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729684431 1071801789 /nfs/dbraw/zinc/80/17/89/1071801789.db2.gz PMGKBGLJVQEEFY-HKUYNNGSSA-N 1 0 417.893 3.993 20 5 HHBDRO CC(C)(NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000488199773 1072120292 /nfs/dbraw/zinc/12/02/92/1072120292.db2.gz KDTNKSOOOBDFIV-UHFFFAOYSA-N 1 0 410.518 3.836 20 5 HHBDRO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000488204548 1072123370 /nfs/dbraw/zinc/12/33/70/1072123370.db2.gz RRAAHRAWCSRSPU-HNNXBMFYSA-N 1 0 411.930 3.876 20 5 HHBDRO CCCC[N@H+](C)CCNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000488210891 1072138456 /nfs/dbraw/zinc/13/84/56/1072138456.db2.gz SZWJLBJHFXJRLC-UHFFFAOYSA-N 1 0 406.508 3.539 20 5 HHBDRO COc1c(Br)c([N+](=O)[O-])c(NC[C@H](CC(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000912594614 1072252778 /nfs/dbraw/zinc/25/27/78/1072252778.db2.gz XWUFLWJLPWGINI-JTQLQIEISA-N 1 0 419.276 3.662 20 5 HHBDRO CN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000729875951 1072635657 /nfs/dbraw/zinc/63/56/57/1072635657.db2.gz GSZHRMFCGDNNHO-UHFFFAOYSA-N 1 0 417.897 3.814 20 5 HHBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000588091520 1072792866 /nfs/dbraw/zinc/79/28/66/1072792866.db2.gz DICLESQJYQVGGK-UHFFFAOYSA-N 1 0 410.268 3.544 20 5 HHBDRO CC[NH+]1CCC(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CC1 ZINC000571828354 1072851380 /nfs/dbraw/zinc/85/13/80/1072851380.db2.gz QTZJHSMILNHJNN-UHFFFAOYSA-N 1 0 420.560 3.973 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000571811676 1072861837 /nfs/dbraw/zinc/86/18/37/1072861837.db2.gz YUFYJKKXCDZGMZ-VIZZQPHQSA-N 1 0 418.444 3.543 20 5 HHBDRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000555046288 1073099201 /nfs/dbraw/zinc/09/92/01/1073099201.db2.gz AXFXCRYMGWGMBO-UHFFFAOYSA-N 1 0 409.486 3.874 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000555333940 1073347875 /nfs/dbraw/zinc/34/78/75/1073347875.db2.gz FSUADOUVXUNCSL-HZPDHXFCSA-N 1 0 414.472 3.604 20 5 HHBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000590192687 1073637581 /nfs/dbraw/zinc/63/75/81/1073637581.db2.gz YUOKLVKUTWVJCX-HXUWFJFHSA-N 1 0 413.493 3.752 20 5 HHBDRO Cn1cc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590194726 1073641142 /nfs/dbraw/zinc/64/11/42/1073641142.db2.gz KXZUOLZEINXKHT-UHFFFAOYSA-N 1 0 405.380 3.741 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@@H]([NH+](C)C)[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000590404003 1073788148 /nfs/dbraw/zinc/78/81/48/1073788148.db2.gz RJXDSNMZYQQGEM-GXTWGEPZSA-N 1 0 406.533 3.676 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@@H]([NH+](C)C)[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000590404009 1073788156 /nfs/dbraw/zinc/78/81/56/1073788156.db2.gz RJXDSNMZYQQGEM-TZMCWYRMSA-N 1 0 406.533 3.676 20 5 HHBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000555773456 1073814932 /nfs/dbraw/zinc/81/49/32/1073814932.db2.gz OZQVKEQXJIUOHM-MRXNPFEDSA-N 1 0 420.307 3.616 20 5 HHBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590442071 1073836064 /nfs/dbraw/zinc/83/60/64/1073836064.db2.gz GCQVZAZNXFEEHS-RDTXWAMCSA-N 1 0 401.850 3.817 20 5 HHBDRO CCCOc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OCCC ZINC000555800079 1073845023 /nfs/dbraw/zinc/84/50/23/1073845023.db2.gz MUSQEYXSSHQLQV-MRXNPFEDSA-N 1 0 420.510 3.874 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000555842674 1073882394 /nfs/dbraw/zinc/88/23/94/1073882394.db2.gz RLCCQOBQDZICMT-OAHLLOKOSA-N 1 0 418.291 3.670 20 5 HHBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000899889282 1073940488 /nfs/dbraw/zinc/94/04/88/1073940488.db2.gz ZHGMBALKFVBJJK-FQEVSTJZSA-N 1 0 422.529 3.835 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000555885930 1073942608 /nfs/dbraw/zinc/94/26/08/1073942608.db2.gz WZPFQMDXQVHJEY-UHFFFAOYSA-N 1 0 410.312 3.756 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000573173212 1074247410 /nfs/dbraw/zinc/24/74/10/1074247410.db2.gz CMMMIBKXXMNRLR-JXFKEZNVSA-N 1 0 413.474 3.690 20 5 HHBDRO C[C@@H]1[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000574665915 1075300826 /nfs/dbraw/zinc/30/08/26/1075300826.db2.gz OQEYWPNVINBYJN-DYESRHJHSA-N 1 0 408.502 3.932 20 5 HHBDRO Cn1ccnc1[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000575079072 1075472057 /nfs/dbraw/zinc/47/20/57/1075472057.db2.gz JGAYXNJFLRIYTH-QFIPXVFZSA-N 1 0 405.502 3.672 20 5 HHBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)c1 ZINC001164621265 719045200 /nfs/dbraw/zinc/04/52/00/719045200.db2.gz IDQUYKMHMDZUCW-WMZOPIPTSA-N 1 0 408.836 3.772 20 5 HHBDRO CSc1nc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164629645 719081888 /nfs/dbraw/zinc/08/18/88/719081888.db2.gz YIOCQCSKEWLENR-LSDHHAIUSA-N 1 0 419.938 3.861 20 5 HHBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)C2 ZINC001164815207 720197990 /nfs/dbraw/zinc/19/79/90/720197990.db2.gz WXMGXOSMEYRNMB-RDPSFJRHSA-N 1 0 422.529 3.842 20 5 HHBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835042 720529009 /nfs/dbraw/zinc/52/90/09/720529009.db2.gz GUCGAAKNSQOPRK-RCZSKKKRSA-N 1 0 420.517 3.717 20 5 HHBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164842434 720529043 /nfs/dbraw/zinc/52/90/43/720529043.db2.gz XGNZRIHZYZSMKI-SOLBZPMBSA-N 1 0 418.929 3.526 20 5 HHBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001165022518 721838985 /nfs/dbraw/zinc/83/89/85/721838985.db2.gz UPONLJAAXVIQNZ-UHFFFAOYSA-N 1 0 420.897 3.761 20 5 HHBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc(Cl)c4[N+](=O)[O-])CC3)C2)cc1 ZINC001164938223 721921034 /nfs/dbraw/zinc/92/10/34/721921034.db2.gz JTRHMYQHXHNUIV-UHFFFAOYSA-N 1 0 416.909 3.823 20 5 HHBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301228342 970820590 /nfs/dbraw/zinc/82/05/90/970820590.db2.gz HXTPQACVQUSWSG-KFWWJZLASA-N 1 0 419.913 3.572 20 5 HHBDRO CC[NH+](CC)CCNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000301317492 970864499 /nfs/dbraw/zinc/86/44/99/970864499.db2.gz ZDXHWSRCWRCEAA-UHFFFAOYSA-N 1 0 420.535 3.766 20 5 HHBDRO CC[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cn2)CC1 ZINC000301423668 970920628 /nfs/dbraw/zinc/92/06/28/970920628.db2.gz ARWVONAOAXZSAS-UHFFFAOYSA-N 1 0 409.412 3.763 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000301606640 970998845 /nfs/dbraw/zinc/99/88/45/970998845.db2.gz YYVRMHBDMBIOLN-OXQOHEQNSA-N 1 0 408.502 3.810 20 5 HHBDRO C[C@@H]1C[NH+](CC2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)C[C@@H](C)O1 ZINC000301820219 971075290 /nfs/dbraw/zinc/07/52/90/971075290.db2.gz JJBSOQBFQFXFMR-ZIAGYGMSSA-N 1 0 401.429 3.939 20 5 HHBDRO CC1CC[NH+](Cc2ccccc2CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000301887118 971099610 /nfs/dbraw/zinc/09/96/10/971099610.db2.gz MNTNZMMXTOJQBH-UHFFFAOYSA-N 1 0 417.531 3.842 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301900111 971105932 /nfs/dbraw/zinc/10/59/32/971105932.db2.gz UKDBKMYWGSQYSW-MRXNPFEDSA-N 1 0 417.531 3.985 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)c1 ZINC000302149287 971188450 /nfs/dbraw/zinc/18/84/50/971188450.db2.gz HJNFSBPIVLHLFC-UHFFFAOYSA-N 1 0 412.490 3.903 20 5 HHBDRO C[NH+](C)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000302215135 971209624 /nfs/dbraw/zinc/20/96/24/971209624.db2.gz HHGHWSBCJRONAS-KRWDZBQOSA-N 1 0 421.379 3.977 20 5 HHBDRO CC(C)NC(=O)c1ccc(N2CCN([C@@H](C)c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000302769275 971311663 /nfs/dbraw/zinc/31/16/63/971311663.db2.gz BKGREZGWXGYRBR-INIZCTEOSA-N 1 0 414.481 3.755 20 5 HHBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)o1 ZINC000302973665 971429318 /nfs/dbraw/zinc/42/93/18/971429318.db2.gz IYUBCRNMVXMTED-UHFFFAOYSA-N 1 0 417.509 3.647 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000303087356 971497145 /nfs/dbraw/zinc/49/71/45/971497145.db2.gz YDMRVKZYRWRJCH-NRFANRHFSA-N 1 0 407.474 3.593 20 5 HHBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000303175979 971543682 /nfs/dbraw/zinc/54/36/82/971543682.db2.gz CDVPNLVFXVHKJQ-ROUUACIJSA-N 1 0 404.555 3.737 20 5 HHBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000303412698 971689896 /nfs/dbraw/zinc/68/98/96/971689896.db2.gz ANGBXUVFSGOCJE-KRWDZBQOSA-N 1 0 402.539 3.825 20 5 HHBDRO COc1ccc(NC(=O)CC[NH+]2CCC(COc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000303438951 971727011 /nfs/dbraw/zinc/72/70/11/971727011.db2.gz AJLDFKKLICKVLL-UHFFFAOYSA-N 1 0 413.474 3.723 20 5 HHBDRO C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000303530651 971831515 /nfs/dbraw/zinc/83/15/15/971831515.db2.gz WOKWFKGGVKJZND-LJQANCHMSA-N 1 0 413.521 3.791 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000303546482 971846095 /nfs/dbraw/zinc/84/60/95/971846095.db2.gz GUZACXGXQMWKKM-RBUKOAKNSA-N 1 0 402.539 3.818 20 5 HHBDRO C[C@H]1C[C@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303723153 971977314 /nfs/dbraw/zinc/97/73/14/971977314.db2.gz BMHKWDYPMWFOHX-AZUAARDMSA-N 1 0 410.518 3.908 20 5 HHBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303789846 972028898 /nfs/dbraw/zinc/02/88/98/972028898.db2.gz JSWVROOIXYNSGV-QFBILLFUSA-N 1 0 417.531 3.577 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000542210114 1013156140 /nfs/dbraw/zinc/15/61/40/1013156140.db2.gz NFIOSAZTJYGCBS-IAGOWNOFSA-N 1 0 421.291 3.934 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)cc2[N+](=O)[O-])CC1 ZINC000524339227 1013164041 /nfs/dbraw/zinc/16/40/41/1013164041.db2.gz FMLIXOBEIMUNJR-HXUWFJFHSA-N 1 0 414.550 3.922 20 5 HHBDRO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000537633693 1013188653 /nfs/dbraw/zinc/18/86/53/1013188653.db2.gz TXKUCOJHKARZAE-QGZVFWFLSA-N 1 0 412.881 3.824 20 5 HHBDRO CCCCOc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC ZINC000537635809 1013190849 /nfs/dbraw/zinc/19/08/49/1013190849.db2.gz XZWYUUYQTPIYBV-KRWDZBQOSA-N 1 0 400.479 3.864 20 5 HHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000007257839 961093148 /nfs/dbraw/zinc/09/31/48/961093148.db2.gz FBTBYTDHIVNQLT-UHFFFAOYSA-N 1 0 424.545 3.969 20 5 HHBDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000537681368 1013241757 /nfs/dbraw/zinc/24/17/57/1013241757.db2.gz BKTPOJKKUMJMQG-LJQANCHMSA-N 1 0 406.870 3.727 20 5 HHBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000008184170 961466680 /nfs/dbraw/zinc/46/66/80/961466680.db2.gz MWSJJPYYZBJZOF-UHFFFAOYSA-N 1 0 422.529 3.723 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000010137007 961750083 /nfs/dbraw/zinc/75/00/83/961750083.db2.gz AIJHLQPROQORQU-GOSISDBHSA-N 1 0 415.515 3.892 20 5 HHBDRO C[NH+]1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)cc2)CC1 ZINC000537790059 1013350703 /nfs/dbraw/zinc/35/07/03/1013350703.db2.gz XNCHYZLJTWYQKY-UHFFFAOYSA-N 1 0 406.433 3.556 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553506293 1013405929 /nfs/dbraw/zinc/40/59/29/1013405929.db2.gz FBHYJZUMYUHECW-XMMPIXPASA-N 1 0 422.529 3.912 20 5 HHBDRO COc1ccc(NC(=O)CC[NH+]2CCC(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000025056758 964156905 /nfs/dbraw/zinc/15/69/05/964156905.db2.gz YRFHARWFCFIOIL-UHFFFAOYSA-N 1 0 411.458 3.527 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000049994687 964232052 /nfs/dbraw/zinc/23/20/52/964232052.db2.gz QUSOUSZQSMYNCG-KRWDZBQOSA-N 1 0 417.531 3.762 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000025330353 964243111 /nfs/dbraw/zinc/24/31/11/964243111.db2.gz DHBMOUCDJAATRE-FOIQADDNSA-N 1 0 416.547 3.925 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCOc1cccc(Cl)c1 ZINC000026336903 964527936 /nfs/dbraw/zinc/52/79/36/964527936.db2.gz YNMKATAVRWMUFA-UHFFFAOYSA-N 1 0 407.854 3.596 20 5 HHBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCCO1 ZINC000542562098 1013504383 /nfs/dbraw/zinc/50/43/83/1013504383.db2.gz GJVNULAJNCNONE-PVUWLOKVSA-N 1 0 404.492 3.593 20 5 HHBDRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])oc21 ZINC000542586790 1013526860 /nfs/dbraw/zinc/52/68/60/1013526860.db2.gz HNNKEPWASFVDBC-GOEBONIOSA-N 1 0 400.431 3.830 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000027572036 964920568 /nfs/dbraw/zinc/92/05/68/964920568.db2.gz CRFWNKYNXABJDA-LJQANCHMSA-N 1 0 415.515 3.892 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000027578768 964923434 /nfs/dbraw/zinc/92/34/34/964923434.db2.gz RSGYBCVBVMQHOL-GOSISDBHSA-N 1 0 405.882 3.826 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000537952806 1013533855 /nfs/dbraw/zinc/53/38/55/1013533855.db2.gz UBUPFXWBGDYLLJ-YVEFUNNKSA-N 1 0 411.380 3.654 20 5 HHBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000027675888 964941989 /nfs/dbraw/zinc/94/19/89/964941989.db2.gz YHUHXKIFFSPSIB-IBGZPJMESA-N 1 0 416.547 3.925 20 5 HHBDRO CC(C)C[NH+]1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000052960283 965031412 /nfs/dbraw/zinc/03/14/12/965031412.db2.gz NFQZMJBOXJJSGQ-QGZVFWFLSA-N 1 0 411.506 3.577 20 5 HHBDRO Cn1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053464272 965182098 /nfs/dbraw/zinc/18/20/98/965182098.db2.gz BWPYFTUGQLFYNQ-UHFFFAOYSA-N 1 0 419.485 3.521 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053808770 965277117 /nfs/dbraw/zinc/27/71/17/965277117.db2.gz WAWIAMPOUJBZGI-INIZCTEOSA-N 1 0 411.506 3.767 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000537988545 1013563628 /nfs/dbraw/zinc/56/36/28/1013563628.db2.gz XSYASEPCOJBMIP-CVEARBPZSA-N 1 0 405.520 3.517 20 5 HHBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2)CC1 ZINC000057273892 965380176 /nfs/dbraw/zinc/38/01/76/965380176.db2.gz IAFRFGWBNHMIBH-UHFFFAOYSA-N 1 0 410.499 3.809 20 5 HHBDRO CCOc1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000054225080 965434472 /nfs/dbraw/zinc/43/44/72/965434472.db2.gz TUUDPZACNUHJLR-RDJZCZTQSA-N 1 0 413.474 3.567 20 5 HHBDRO O=C(c1ccccc1)N1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000538012361 1013584500 /nfs/dbraw/zinc/58/45/00/1013584500.db2.gz CJQVUJZFYPXECX-UHFFFAOYSA-N 1 0 405.401 3.591 20 5 HHBDRO C[NH+](C)[C@H](CNc1ccc(I)cc1[N+](=O)[O-])c1cccs1 ZINC000058194210 965654374 /nfs/dbraw/zinc/65/43/74/965654374.db2.gz DMDRHEBUQWXJAK-CYBMUJFWSA-N 1 0 417.272 3.976 20 5 HHBDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000538018636 1013590824 /nfs/dbraw/zinc/59/08/24/1013590824.db2.gz RYZAMBVLCVIZIW-HUUCEWRRSA-N 1 0 401.463 3.988 20 5 HHBDRO CC(C)[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000058857398 965930229 /nfs/dbraw/zinc/93/02/29/965930229.db2.gz BKDRXGABKVASAN-OAQYLSRUSA-N 1 0 406.486 3.889 20 5 HHBDRO C[C@@H]1CCC[C@@](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)([NH+](C)C)C1 ZINC000059891247 966040312 /nfs/dbraw/zinc/04/03/12/966040312.db2.gz DKKMYSKPZZZENJ-IQGLISFBSA-N 1 0 405.542 3.781 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000060498030 966173921 /nfs/dbraw/zinc/17/39/21/966173921.db2.gz LHVFHJHGBLSOBM-UHFFFAOYSA-N 1 0 417.531 3.676 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1C ZINC000060498067 966174150 /nfs/dbraw/zinc/17/41/50/966174150.db2.gz FSFUIPONLVJMJS-UHFFFAOYSA-N 1 0 417.531 3.676 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c(Cl)c1 ZINC000056056725 966196359 /nfs/dbraw/zinc/19/63/59/966196359.db2.gz MAEHPWPFRZOXPF-UHFFFAOYSA-N 1 0 415.943 3.525 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000056060078 966197043 /nfs/dbraw/zinc/19/70/43/966197043.db2.gz FSYYTFUWCDIZOG-KRWDZBQOSA-N 1 0 417.531 3.589 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c1 ZINC000061307238 966426589 /nfs/dbraw/zinc/42/65/89/966426589.db2.gz NQHXVPZDFIQEQC-UHFFFAOYSA-N 1 0 401.488 3.713 20 5 HHBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000061307477 966427755 /nfs/dbraw/zinc/42/77/55/966427755.db2.gz PUOXDFPTLITQCN-UHFFFAOYSA-N 1 0 415.515 3.860 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000553867798 1013666939 /nfs/dbraw/zinc/66/69/39/1013666939.db2.gz YHJJBWRCTJUTBF-GFCCVEGCSA-N 1 0 410.312 3.612 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCCNC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000043147677 966918076 /nfs/dbraw/zinc/91/80/76/966918076.db2.gz KXOVHVVKAXWFKB-UHFFFAOYSA-N 1 0 411.506 3.545 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 ZINC000538126313 1013688126 /nfs/dbraw/zinc/68/81/26/1013688126.db2.gz ZVAAQYPHLPJNSU-MRXNPFEDSA-N 1 0 406.442 3.858 20 5 HHBDRO CCOc1cc(NC(=O)NC2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])cc1OCC ZINC000043838472 967048431 /nfs/dbraw/zinc/04/84/31/967048431.db2.gz MYPNAJOYPLDFLJ-UHFFFAOYSA-N 1 0 408.499 3.634 20 5 HHBDRO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000064482182 967209203 /nfs/dbraw/zinc/20/92/03/967209203.db2.gz BCUJMHUKRLZZDB-UHFFFAOYSA-N 1 0 417.893 3.865 20 5 HHBDRO O=C(NC1CC1)c1ccc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000064550874 967232666 /nfs/dbraw/zinc/23/26/66/967232666.db2.gz XFQYMHNWLKWNQT-OAHLLOKOSA-N 1 0 414.531 3.873 20 5 HHBDRO CCCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000538150081 1013709436 /nfs/dbraw/zinc/70/94/36/1013709436.db2.gz HKJCUCUFXPMFKB-HNNXBMFYSA-N 1 0 401.463 3.990 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000044802649 967293342 /nfs/dbraw/zinc/29/33/42/967293342.db2.gz RXKKTJBPTYVERO-RYUDHWBXSA-N 1 0 409.389 3.883 20 5 HHBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542866822 1013719883 /nfs/dbraw/zinc/71/98/83/1013719883.db2.gz MGMZOWGYBOJIFF-UHFFFAOYSA-N 1 0 405.401 3.722 20 5 HHBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000538196148 1013752086 /nfs/dbraw/zinc/75/20/86/1013752086.db2.gz ZUZMCFFYKVKWRK-INIZCTEOSA-N 1 0 406.442 3.972 20 5 HHBDRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(-c2ccc(C)cc2)n1 ZINC000538276857 1013815618 /nfs/dbraw/zinc/81/56/18/1013815618.db2.gz KWOIDFHTBXXHOQ-KRWDZBQOSA-N 1 0 407.474 3.995 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000065937521 968726919 /nfs/dbraw/zinc/72/69/19/968726919.db2.gz JPVJTVPNECJXFX-UHFFFAOYSA-N 1 0 402.401 3.558 20 5 HHBDRO COc1cc(OCC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000066023725 968772583 /nfs/dbraw/zinc/77/25/83/968772583.db2.gz RCWKVSGQMUQUNF-MRXNPFEDSA-N 1 0 413.474 3.853 20 5 HHBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000072010935 968931627 /nfs/dbraw/zinc/93/16/27/968931627.db2.gz IIRXDZBMGWXMGQ-DLBZAZTESA-N 1 0 424.501 3.726 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000107585262 969317768 /nfs/dbraw/zinc/31/77/68/969317768.db2.gz NLXHBYFOKHPAFW-GOSISDBHSA-N 1 0 410.518 3.945 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000108817563 969422619 /nfs/dbraw/zinc/42/26/19/969422619.db2.gz LWKKMZNGLJLJPF-CALCHBBNSA-N 1 0 402.539 3.681 20 5 HHBDRO C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000108967777 969441523 /nfs/dbraw/zinc/44/15/23/969441523.db2.gz AGQOKTGEXRDWDA-HNNXBMFYSA-N 1 0 417.893 3.913 20 5 HHBDRO Cn1ccnc1C(=O)c1ccc(NCc2ccccc2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000109304525 969495104 /nfs/dbraw/zinc/49/51/04/969495104.db2.gz YITMICUZAFKDKG-UHFFFAOYSA-N 1 0 419.485 3.767 20 5 HHBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000109496578 969524977 /nfs/dbraw/zinc/52/49/77/969524977.db2.gz ZIWUNZWPUPBJRF-UHFFFAOYSA-N 1 0 414.531 3.770 20 5 HHBDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1)C(C)C ZINC000110123093 969626517 /nfs/dbraw/zinc/62/65/17/969626517.db2.gz PRDVEDIQPXVINY-UHFFFAOYSA-N 1 0 410.518 3.788 20 5 HHBDRO C[NH+](C)CCc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 ZINC000110865418 969730254 /nfs/dbraw/zinc/73/02/54/969730254.db2.gz NKCBYXAEQSNKAK-UHFFFAOYSA-N 1 0 411.380 3.892 20 5 HHBDRO C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000195650654 969932704 /nfs/dbraw/zinc/93/27/04/969932704.db2.gz RBYWUKLZGZDYSI-OAHLLOKOSA-N 1 0 417.893 3.913 20 5 HHBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)cc2N1 ZINC000195750243 970000152 /nfs/dbraw/zinc/00/01/52/970000152.db2.gz HRGQGHICCNYZPK-AWEZNQCLSA-N 1 0 400.504 3.865 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N(C)C3CC[NH+](C)CC3)cc2[N+](=O)[O-])n1 ZINC000215896315 970056293 /nfs/dbraw/zinc/05/62/93/970056293.db2.gz ODUNGPUKFUCHJG-UHFFFAOYSA-N 1 0 406.533 3.677 20 5 HHBDRO CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000236688170 970156063 /nfs/dbraw/zinc/15/60/63/970156063.db2.gz BIGNJOPOKVHMTR-GOEBONIOSA-N 1 0 402.520 3.891 20 5 HHBDRO CC(C)(C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000236745766 970166958 /nfs/dbraw/zinc/16/69/58/970166958.db2.gz NUOPHSXQFJCFKN-UHFFFAOYSA-N 1 0 403.454 3.727 20 5 HHBDRO CCC[NH+]1CCC(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000236778725 970171272 /nfs/dbraw/zinc/17/12/72/970171272.db2.gz BWAHVPDMMHZKIX-UHFFFAOYSA-N 1 0 405.417 3.509 20 5 HHBDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000236799508 970173311 /nfs/dbraw/zinc/17/33/11/970173311.db2.gz KKEBSOBIDLFRSX-UHFFFAOYSA-N 1 0 423.560 3.617 20 5 HHBDRO COc1cc(C[NH2+][C@@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237153322 970232885 /nfs/dbraw/zinc/23/28/85/970232885.db2.gz ZROURYMCLBNKER-LBPRGKRZSA-N 1 0 414.380 3.971 20 5 HHBDRO COc1cc(C[NH2+]CCOc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC ZINC000237180976 970236563 /nfs/dbraw/zinc/23/65/63/970236563.db2.gz NCKNHORSJWQYND-UHFFFAOYSA-N 1 0 411.252 3.543 20 5 HHBDRO COc1cc(C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])cc1O ZINC000237185903 970237670 /nfs/dbraw/zinc/23/76/70/970237670.db2.gz BIDVVBWXMOPOMW-UHFFFAOYSA-N 1 0 421.759 3.545 20 5 HHBDRO COc1cccc(C(=O)NCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000237337395 970265717 /nfs/dbraw/zinc/26/57/17/970265717.db2.gz XNFQYMNOTQMDTM-UHFFFAOYSA-N 1 0 411.483 3.852 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237337023 970265778 /nfs/dbraw/zinc/26/57/78/970265778.db2.gz YROIFXFXTVYHCH-QFBILLFUSA-N 1 0 411.502 3.897 20 5 HHBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)NCc1ccco1 ZINC000237405789 970278922 /nfs/dbraw/zinc/27/89/22/970278922.db2.gz OZQHDPNDNSVKKB-CQSZACIVSA-N 1 0 413.405 3.914 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]CCc3nnc4n3CCCCC4)o2)c([N+](=O)[O-])c1 ZINC000237416311 970281208 /nfs/dbraw/zinc/28/12/08/970281208.db2.gz OINLHXCFZNHJOW-UHFFFAOYSA-N 1 0 411.462 3.514 20 5 HHBDRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000237599369 970319953 /nfs/dbraw/zinc/31/99/53/970319953.db2.gz ZODHCGNTAQJZIC-GASCZTMLSA-N 1 0 404.536 3.696 20 5 HHBDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237668705 970335447 /nfs/dbraw/zinc/33/54/47/970335447.db2.gz APZYAERPLXXIEX-OAHLLOKOSA-N 1 0 405.882 3.851 20 5 HHBDRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000148858224 970373898 /nfs/dbraw/zinc/37/38/98/970373898.db2.gz YLFUQQJDDDQYNE-CVEARBPZSA-N 1 0 402.520 3.929 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(OCc4ccncc4)cc3)C2)nc1 ZINC000237998730 970414180 /nfs/dbraw/zinc/41/41/80/970414180.db2.gz YCNZSEFWFBQVFO-LJQANCHMSA-N 1 0 405.458 3.650 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCN3CCc4sccc4C3)cs2)c1 ZINC000238006605 970416646 /nfs/dbraw/zinc/41/66/46/970416646.db2.gz YFWJMIGMPWVNHV-UHFFFAOYSA-N 1 0 400.529 3.928 20 5 HHBDRO O=[N+]([O-])c1cc(CNCCC[NH+]2CCC(O)CC2)ccc1Oc1ccccc1Cl ZINC000238150779 970450247 /nfs/dbraw/zinc/45/02/47/970450247.db2.gz GKSFSEAOILLRHF-UHFFFAOYSA-N 1 0 419.909 3.977 20 5 HHBDRO Cc1ccccc1C[N@@H+]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000164781596 970451156 /nfs/dbraw/zinc/45/11/56/970451156.db2.gz PKMKTSQRFUEGGH-UHFFFAOYSA-N 1 0 410.518 3.748 20 5 HHBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000195584372 970529234 /nfs/dbraw/zinc/52/92/34/970529234.db2.gz IIRXDZBMGWXMGQ-IRXDYDNUSA-N 1 0 424.501 3.726 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1OC ZINC000250382185 970535001 /nfs/dbraw/zinc/53/50/01/970535001.db2.gz IJHALIPRQWCACJ-NVXWUHKLSA-N 1 0 413.474 3.567 20 5 HHBDRO CC(C)Oc1ccc([C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000554686049 1014012622 /nfs/dbraw/zinc/01/26/22/1014012622.db2.gz VRGDEVVKCKZPHM-FQEVSTJZSA-N 1 0 411.462 3.746 20 5 HHBDRO Cc1c(Br)cc(C(=O)NCc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000409592108 973040423 /nfs/dbraw/zinc/04/04/23/973040423.db2.gz SRHLXUQDWKSGSE-UHFFFAOYSA-N 1 0 406.280 3.657 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000425980867 974090998 /nfs/dbraw/zinc/09/09/98/974090998.db2.gz PGMXQKZNHHJAJE-ZWKOTPCHSA-N 1 0 422.407 3.858 20 5 HHBDRO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000426385292 974425789 /nfs/dbraw/zinc/42/57/89/974425789.db2.gz MOVQGIRPMFZNCV-LJQANCHMSA-N 1 0 409.486 3.874 20 5 HHBDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000426653332 974584393 /nfs/dbraw/zinc/58/43/93/974584393.db2.gz AOXQBHYECKTGAE-HDICACEKSA-N 1 0 417.550 3.610 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000427460578 975130549 /nfs/dbraw/zinc/13/05/49/975130549.db2.gz WKHPPJHWSDFSFG-UHFFFAOYSA-N 1 0 401.488 3.713 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000427636512 975219015 /nfs/dbraw/zinc/21/90/15/975219015.db2.gz BZTXUHFONZNQJY-UHFFFAOYSA-N 1 0 424.482 3.662 20 5 HHBDRO COc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000428071728 975418378 /nfs/dbraw/zinc/41/83/78/975418378.db2.gz SAUGOOZPWXMTFL-NRFANRHFSA-N 1 0 400.475 3.918 20 5 HHBDRO COc1ccc(C[N@H+](CC(C)(C)O)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000428411893 975732162 /nfs/dbraw/zinc/73/21/62/975732162.db2.gz KDONKCFQMQJGLY-UHFFFAOYSA-N 1 0 400.475 3.918 20 5 HHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000428541220 975843552 /nfs/dbraw/zinc/84/35/52/975843552.db2.gz BMJSZGWMZVWSCL-IBGZPJMESA-N 1 0 421.444 3.577 20 5 HHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000428541221 975843781 /nfs/dbraw/zinc/84/37/81/975843781.db2.gz BMJSZGWMZVWSCL-LJQANCHMSA-N 1 0 421.444 3.577 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000428547193 975854746 /nfs/dbraw/zinc/85/47/46/975854746.db2.gz YFXZXAIRCQQYCO-LLCTXKFZSA-N 1 0 405.292 3.811 20 5 HHBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000428552338 975863061 /nfs/dbraw/zinc/86/30/61/975863061.db2.gz MCQNKSVPJHGMAO-INIZCTEOSA-N 1 0 421.906 3.546 20 5 HHBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CSCC[N@@H+]3Cc3ccccc3)cc2N1 ZINC000428659760 975958633 /nfs/dbraw/zinc/95/86/33/975958633.db2.gz JFOYITYESIUKAD-QGZVFWFLSA-N 1 0 412.515 3.509 20 5 HHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000429038232 976323075 /nfs/dbraw/zinc/32/30/75/976323075.db2.gz WEWCTOOXMOHFSO-JTHBVZDNSA-N 1 0 408.502 3.611 20 5 HHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429332409 976597315 /nfs/dbraw/zinc/59/73/15/976597315.db2.gz MDGSZKNPEFHKAE-GOSISDBHSA-N 1 0 417.893 3.578 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429752565 977045129 /nfs/dbraw/zinc/04/51/29/977045129.db2.gz UGRDCDNPDJLFIC-IBGZPJMESA-N 1 0 412.490 3.624 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000429846758 977117835 /nfs/dbraw/zinc/11/78/35/977117835.db2.gz ZEYGTNYVLRQEPW-OAQYLSRUSA-N 1 0 411.502 3.834 20 5 HHBDRO COc1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000430129206 977335479 /nfs/dbraw/zinc/33/54/79/977335479.db2.gz ZQJRMALHMOIVKK-HSZRJFAPSA-N 1 0 411.502 3.710 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)COc1ncccc1Br ZINC000430199700 977387344 /nfs/dbraw/zinc/38/73/44/977387344.db2.gz DLTQPBJCGSJCDX-UHFFFAOYSA-N 1 0 410.268 3.708 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000430653212 977669597 /nfs/dbraw/zinc/66/95/97/977669597.db2.gz OWMLFLZSJGDYFO-HKUYNNGSSA-N 1 0 419.485 3.563 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000430654933 977670432 /nfs/dbraw/zinc/67/04/32/977670432.db2.gz TURAMAZSZKZPTH-OXQOHEQNSA-N 1 0 408.502 3.952 20 5 HHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000430817760 977775002 /nfs/dbraw/zinc/77/50/02/977775002.db2.gz VXRKMFNQIGEHRS-PMACEKPBSA-N 1 0 416.566 3.828 20 5 HHBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000430827379 977782519 /nfs/dbraw/zinc/78/25/19/977782519.db2.gz ZSVPAOYSRQZDCI-CXAGYDPISA-N 1 0 412.328 3.988 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431788006 978513735 /nfs/dbraw/zinc/51/37/35/978513735.db2.gz JJTHXULPQWVTLW-UHFFFAOYSA-N 1 0 424.270 3.700 20 5 HHBDRO COC1CC[NH+](C2(CNC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)CCCC2)CC1 ZINC000431952233 978616251 /nfs/dbraw/zinc/61/62/51/978616251.db2.gz JQUYUHLOEYQOCO-UHFFFAOYSA-N 1 0 418.538 3.553 20 5 HHBDRO C[C@@H]1COCC[C@@H]1[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000432229631 978723371 /nfs/dbraw/zinc/72/33/71/978723371.db2.gz SMMSGJLFACLKJG-FMEYXAORSA-N 1 0 403.866 3.943 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1)CC1CC1 ZINC000432255044 978731144 /nfs/dbraw/zinc/73/11/44/978731144.db2.gz XVOUBSZFHIQGBW-UHFFFAOYSA-N 1 0 403.523 3.643 20 5 HHBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000432341851 978768049 /nfs/dbraw/zinc/76/80/49/978768049.db2.gz ZUMDMCBATSDFBD-QGZVFWFLSA-N 1 0 415.925 3.682 20 5 HHBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000433166450 979112303 /nfs/dbraw/zinc/11/23/03/979112303.db2.gz FXRYSCFNFQGKBM-VBKZILBWSA-N 1 0 417.531 3.918 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433179666 979123023 /nfs/dbraw/zinc/12/30/23/979123023.db2.gz WGQQWFFAVBGAFH-UHFFFAOYSA-N 1 0 422.529 3.830 20 5 HHBDRO CCNc1ccc(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000434159401 979921190 /nfs/dbraw/zinc/92/11/90/979921190.db2.gz YMYPWEKTVOCSGG-UHFFFAOYSA-N 1 0 412.490 3.778 20 5 HHBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000434319665 980082919 /nfs/dbraw/zinc/08/29/19/980082919.db2.gz YSJHOMKYFPRAOQ-IBGZPJMESA-N 1 0 423.448 3.938 20 5 HHBDRO COc1cc2c(cc1OC)CC[NH+]([C@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000434810770 980414748 /nfs/dbraw/zinc/41/47/48/980414748.db2.gz UJAOBOBJTSZGET-CQSZACIVSA-N 1 0 424.457 3.824 20 5 HHBDRO Cc1ccc(Sc2ccc(CN(CCO)C3CC[NH+](C)CC3)cc2[N+](=O)[O-])cc1 ZINC000434986572 980551184 /nfs/dbraw/zinc/55/11/84/980551184.db2.gz PGGDIXTXNKOROE-UHFFFAOYSA-N 1 0 415.559 3.943 20 5 HHBDRO Cc1c(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435331190 980789340 /nfs/dbraw/zinc/78/93/40/980789340.db2.gz ZCOULAGZGRWYNE-LBPRGKRZSA-N 1 0 413.316 3.909 20 5 HHBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000435330946 980789400 /nfs/dbraw/zinc/78/94/00/980789400.db2.gz XPDIHLWUUXNERM-ABAIWWIYSA-N 1 0 413.316 3.860 20 5 HHBDRO Cc1c(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435330610 980789500 /nfs/dbraw/zinc/78/95/00/980789500.db2.gz USSPKHDBKFEDIU-AWEZNQCLSA-N 1 0 411.300 3.758 20 5 HHBDRO COc1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c([N+](=O)[O-])c1 ZINC000435669084 980979652 /nfs/dbraw/zinc/97/96/52/980979652.db2.gz HMHZFGTXBYFUMO-UHFFFAOYSA-N 1 0 422.485 3.963 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccccc1 ZINC000435820597 981045415 /nfs/dbraw/zinc/04/54/15/981045415.db2.gz XTBAQVAJLJMFRG-OAQYLSRUSA-N 1 0 421.447 3.992 20 5 HHBDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000435879338 981074646 /nfs/dbraw/zinc/07/46/46/981074646.db2.gz JMMGJBOFMHYRKY-UHFFFAOYSA-N 1 0 418.497 3.905 20 5 HHBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000436063289 981184927 /nfs/dbraw/zinc/18/49/27/981184927.db2.gz KOHXEFLHYBAWGV-UHFFFAOYSA-N 1 0 413.468 3.952 20 5 HHBDRO C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C[NH+]1CCCCC1 ZINC000436080903 981191786 /nfs/dbraw/zinc/19/17/86/981191786.db2.gz OAJHKSYULBGHDK-AWEZNQCLSA-N 1 0 413.468 3.811 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000436244614 981266638 /nfs/dbraw/zinc/26/66/38/981266638.db2.gz KMUQICBPYAOUMZ-CQSZACIVSA-N 1 0 413.468 3.810 20 5 HHBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(OC(F)F)c1 ZINC000436333240 981305884 /nfs/dbraw/zinc/30/58/84/981305884.db2.gz IZEAAKTWDIPAQK-QGZVFWFLSA-N 1 0 407.417 3.765 20 5 HHBDRO CC(C)n1c(Sc2cc(C(F)(F)F)ncc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000436386355 981340784 /nfs/dbraw/zinc/34/07/84/981340784.db2.gz HZLHNFJIKAYSLB-JTQLQIEISA-N 1 0 416.429 3.799 20 5 HHBDRO COCCN(Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)Cc1cncs1 ZINC000448361681 981723366 /nfs/dbraw/zinc/72/33/66/981723366.db2.gz IPDDFUKFIVRRGC-UHFFFAOYSA-N 1 0 403.460 3.969 20 5 HHBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000437054762 981725476 /nfs/dbraw/zinc/72/54/76/981725476.db2.gz YZJVRNJGEWJBRC-SFHVURJKSA-N 1 0 408.502 3.763 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000437169644 981823003 /nfs/dbraw/zinc/82/30/03/981823003.db2.gz HXFQOQCXJRDYGD-UHFFFAOYSA-N 1 0 407.392 3.962 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000437195970 981853031 /nfs/dbraw/zinc/85/30/31/981853031.db2.gz UANJOFIQZAXXPO-UHFFFAOYSA-N 1 0 411.380 3.943 20 5 HHBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460237473 982014854 /nfs/dbraw/zinc/01/48/54/982014854.db2.gz MOCDEJMRXHQIKZ-UHFFFAOYSA-N 1 0 420.517 3.974 20 5 HHBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460303097 982080721 /nfs/dbraw/zinc/08/07/21/982080721.db2.gz GJSGMEMIPXKYCY-GOSISDBHSA-N 1 0 420.517 3.974 20 5 HHBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000437713331 982312673 /nfs/dbraw/zinc/31/26/73/982312673.db2.gz ZUQKPWADOKMNIY-UHFFFAOYSA-N 1 0 413.478 3.698 20 5 HHBDRO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000437865616 982420463 /nfs/dbraw/zinc/42/04/63/982420463.db2.gz KQSHWESMTROHMD-IBGZPJMESA-N 1 0 411.506 3.522 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000437976349 982501674 /nfs/dbraw/zinc/50/16/74/982501674.db2.gz HSPYVUJOUNFONS-PXNSSMCTSA-N 1 0 408.502 3.932 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000461050117 982749924 /nfs/dbraw/zinc/74/99/24/982749924.db2.gz XJHMWZRUQUZLAY-INIZCTEOSA-N 1 0 407.392 3.926 20 5 HHBDRO Cc1nn(Cc2ccc(C(=O)Nc3ccccc3CC[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000438551037 982891177 /nfs/dbraw/zinc/89/11/77/982891177.db2.gz FSCCOEXMKDYREJ-UHFFFAOYSA-N 1 0 421.501 3.813 20 5 HHBDRO CC(C)C1CCC([NH+]2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000438554904 982896078 /nfs/dbraw/zinc/89/60/78/982896078.db2.gz QSLWCCOFZOBIFV-ZJRDLVKKSA-N 1 0 402.539 3.754 20 5 HHBDRO CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000438657180 982974657 /nfs/dbraw/zinc/97/46/57/982974657.db2.gz UBDRPSAQHLGQQG-FXAWDEMLSA-N 1 0 424.501 3.526 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000461428492 983091007 /nfs/dbraw/zinc/09/10/07/983091007.db2.gz HUGBMZNYEUCCEH-OALUTQOASA-N 1 0 409.486 3.588 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461428493 983091243 /nfs/dbraw/zinc/09/12/43/983091243.db2.gz HUGBMZNYEUCCEH-RBUKOAKNSA-N 1 0 409.486 3.588 20 5 HHBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461432784 983095609 /nfs/dbraw/zinc/09/56/09/983095609.db2.gz VSFQAJGOPYLDKI-QZTJIDSGSA-N 1 0 404.470 3.670 20 5 HHBDRO COc1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000461438105 983101906 /nfs/dbraw/zinc/10/19/06/983101906.db2.gz KGTRXZDUXLZWCI-QUCCMNQESA-N 1 0 409.486 3.506 20 5 HHBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461438943 983102566 /nfs/dbraw/zinc/10/25/66/983102566.db2.gz OAGXMSBBKMMQFX-OALUTQOASA-N 1 0 404.470 3.670 20 5 HHBDRO CSc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000461444287 983109356 /nfs/dbraw/zinc/10/93/56/983109356.db2.gz KQRHMRQRXUIRBD-MOPGFXCFSA-N 1 0 411.527 3.911 20 5 HHBDRO CSc1cccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC000461447102 983112334 /nfs/dbraw/zinc/11/23/34/983112334.db2.gz KUAJAESSFSJYKL-ROUUACIJSA-N 1 0 411.527 3.911 20 5 HHBDRO Cc1c(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cccc1[N+](=O)[O-] ZINC000438919192 983153208 /nfs/dbraw/zinc/15/32/08/983153208.db2.gz IVKUFSKEQXKGTR-DEOSSOPVSA-N 1 0 407.514 3.960 20 5 HHBDRO CC[C@@](C)(O)C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000439277209 983342496 /nfs/dbraw/zinc/34/24/96/983342496.db2.gz ODVQIOJTZWATIU-JOCHJYFZSA-N 1 0 413.474 3.556 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000439759083 983527573 /nfs/dbraw/zinc/52/75/73/983527573.db2.gz JVOYNODIGZZJFT-CYBMUJFWSA-N 1 0 422.407 3.964 20 5 HHBDRO CCC(CC)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000440314159 983716699 /nfs/dbraw/zinc/71/66/99/983716699.db2.gz KIVDJYDRLGEGNU-CQSZACIVSA-N 1 0 401.294 3.764 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440544108 983790383 /nfs/dbraw/zinc/79/03/83/983790383.db2.gz GCWZUWHMXDAXMS-VVBPWWLESA-N 1 0 417.506 3.602 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440562446 983797299 /nfs/dbraw/zinc/79/72/99/983797299.db2.gz WMCLFEYEAQUWAI-JLHGSKIFSA-N 1 0 401.507 3.901 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000440910969 983967760 /nfs/dbraw/zinc/96/77/60/983967760.db2.gz FOTZJDLDQDXAFX-HUUCEWRRSA-N 1 0 411.458 3.751 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc2[N+](=O)[O-])n1 ZINC000440912691 983968724 /nfs/dbraw/zinc/96/87/24/983968724.db2.gz JIHWBBCGEKBDCU-OCCSQVGLSA-N 1 0 418.544 3.866 20 5 HHBDRO O=C(N[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1)c1cc2ccccc2o1 ZINC000440917338 983973013 /nfs/dbraw/zinc/97/30/13/983973013.db2.gz VXJJFADIRGRMKR-QGZVFWFLSA-N 1 0 409.442 3.614 20 5 HHBDRO COc1ccc(OCC[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000441252587 984139559 /nfs/dbraw/zinc/13/95/59/984139559.db2.gz GDTCKGBKVHASSN-UHFFFAOYSA-N 1 0 419.909 3.844 20 5 HHBDRO CN(CC[NH+](C)C)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000443229652 985453630 /nfs/dbraw/zinc/45/36/30/985453630.db2.gz VEVHCBJTPMVLCQ-UHFFFAOYSA-N 1 0 416.528 3.989 20 5 HHBDRO CC(C)c1ccc(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cc1[N+](=O)[O-] ZINC000462553150 985500361 /nfs/dbraw/zinc/50/03/61/985500361.db2.gz RPZLKXQIOUMWFA-UHFFFAOYSA-N 1 0 403.504 3.548 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000462779287 985713964 /nfs/dbraw/zinc/71/39/64/985713964.db2.gz OKKCBZFQGXBYJL-LJQANCHMSA-N 1 0 411.502 3.759 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000462818356 985745057 /nfs/dbraw/zinc/74/50/57/985745057.db2.gz JXQJMXHKHWHLOG-HZPDHXFCSA-N 1 0 400.454 3.567 20 5 HHBDRO COc1cccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000443917294 986120063 /nfs/dbraw/zinc/12/00/63/986120063.db2.gz CKSLYIUWXPBIGK-UHFFFAOYSA-N 1 0 403.866 3.651 20 5 HHBDRO CC(C)C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[NH+](C)C ZINC000444008235 986203700 /nfs/dbraw/zinc/20/37/00/986203700.db2.gz FMDRFXRYMFZSAQ-HNNXBMFYSA-N 1 0 401.457 3.666 20 5 HHBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444080264 986281211 /nfs/dbraw/zinc/28/12/11/986281211.db2.gz HYPGOCVIUASMAM-OAHLLOKOSA-N 1 0 413.468 3.906 20 5 HHBDRO O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000444081350 986282063 /nfs/dbraw/zinc/28/20/63/986282063.db2.gz KTTPEKQZYJMDOE-AWEZNQCLSA-N 1 0 411.452 3.517 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000468638609 986354730 /nfs/dbraw/zinc/35/47/30/986354730.db2.gz BVQOFTTUICZHIU-LVZFUZTISA-N 1 0 422.529 3.717 20 5 HHBDRO C[NH+](C)CC1CCC(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000444242653 986435028 /nfs/dbraw/zinc/43/50/28/986435028.db2.gz PQKWUWBEKBMEQA-UHFFFAOYSA-N 1 0 413.468 3.810 20 5 HHBDRO C[C@H](CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[NH+]1CCCCC1 ZINC000444298525 986483814 /nfs/dbraw/zinc/48/38/14/986483814.db2.gz XSLDQUGWKJCDDF-CQSZACIVSA-N 1 0 413.468 3.954 20 5 HHBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CCOC1 ZINC000463704209 986689636 /nfs/dbraw/zinc/68/96/36/986689636.db2.gz GWYGXXVXQCLDIW-NRFANRHFSA-N 1 0 416.499 3.866 20 5 HHBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCOC1 ZINC000463717623 986703616 /nfs/dbraw/zinc/70/36/16/986703616.db2.gz QHFRPYZQBSGESU-FQEVSTJZSA-N 1 0 420.849 3.852 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000469073472 986786007 /nfs/dbraw/zinc/78/60/07/986786007.db2.gz SGIOFJLRJMRDEQ-CRPZLVSXSA-N 1 0 421.291 3.790 20 5 HHBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000444631088 986816823 /nfs/dbraw/zinc/81/68/23/986816823.db2.gz SDYCLULFJQFJIX-UHFFFAOYSA-N 1 0 413.468 3.811 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Br)s2)c([N+](=O)[O-])c1 ZINC000444759059 986921051 /nfs/dbraw/zinc/92/10/51/986921051.db2.gz PFMSGEYQOIILEZ-VIFPVBQESA-N 1 0 414.281 3.717 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000444897602 987046344 /nfs/dbraw/zinc/04/63/44/987046344.db2.gz FENHAWJIMITMIV-CQSZACIVSA-N 1 0 404.492 3.699 20 5 HHBDRO C[C@@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000445179361 987262013 /nfs/dbraw/zinc/26/20/13/987262013.db2.gz FOQSGOBNVDTXBJ-NSHDSACASA-N 1 0 412.309 3.669 20 5 HHBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 ZINC000445184425 987264928 /nfs/dbraw/zinc/26/49/28/987264928.db2.gz NRDGMGJDYMMDBS-UHFFFAOYSA-N 1 0 415.493 3.552 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccsc1 ZINC000445489484 987549248 /nfs/dbraw/zinc/54/92/48/987549248.db2.gz JRNHHMZVEHJLSC-IBGZPJMESA-N 1 0 402.520 3.807 20 5 HHBDRO COc1ccc([C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[NH+]2CCCCC2)cc1 ZINC000445646808 987720869 /nfs/dbraw/zinc/72/08/69/987720869.db2.gz GMFPIFBIYBPNCS-QFIPXVFZSA-N 1 0 411.502 3.879 20 5 HHBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000445664937 987733405 /nfs/dbraw/zinc/73/34/05/987733405.db2.gz NSIRNLBDPXDKJD-UHFFFAOYSA-N 1 0 409.490 3.858 20 5 HHBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470116757 988018820 /nfs/dbraw/zinc/01/88/20/988018820.db2.gz WBEWWCKFXNWKNO-UHFFFAOYSA-N 1 0 417.441 3.528 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000463954302 988065493 /nfs/dbraw/zinc/06/54/93/988065493.db2.gz JHXISZORJSZHQG-CALCHBBNSA-N 1 0 404.511 3.565 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000470173840 988089533 /nfs/dbraw/zinc/08/95/33/988089533.db2.gz GICXEXOAKBUGAA-NBVRZTHBSA-N 1 0 403.523 3.641 20 5 HHBDRO CCOC(=O)c1ccc(N2CCC[N@H+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000470175732 988091583 /nfs/dbraw/zinc/09/15/83/988091583.db2.gz FLLUDFKVJIIMPE-NBVRZTHBSA-N 1 0 424.501 3.782 20 5 HHBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000470363188 988327574 /nfs/dbraw/zinc/32/75/74/988327574.db2.gz NPARIHSLOIPWLU-XMMPIXPASA-N 1 0 422.529 3.835 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000464323779 988458139 /nfs/dbraw/zinc/45/81/39/988458139.db2.gz JGFWAZYUVJWGND-YLJYHZDGSA-N 1 0 414.550 3.825 20 5 HHBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000464357169 988510951 /nfs/dbraw/zinc/51/09/51/988510951.db2.gz SACBHIYHVWGCRJ-INIZCTEOSA-N 1 0 400.504 3.713 20 5 HHBDRO CNc1c(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000470597603 988613012 /nfs/dbraw/zinc/61/30/12/988613012.db2.gz FMXKRGZVAHLJRR-MRXNPFEDSA-N 1 0 410.396 3.688 20 5 HHBDRO CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470654571 988670368 /nfs/dbraw/zinc/67/03/68/988670368.db2.gz UNRQLWNYHOLLAJ-HXUWFJFHSA-N 1 0 419.485 3.517 20 5 HHBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470667362 988688175 /nfs/dbraw/zinc/68/81/75/988688175.db2.gz LNXFFSUDOCDDOO-LJQANCHMSA-N 1 0 401.894 3.914 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000464601842 988784289 /nfs/dbraw/zinc/78/42/89/988784289.db2.gz MPGIGDLKBJIBRF-ZDUSSCGKSA-N 1 0 403.483 3.543 20 5 HHBDRO O=C1c2ccccc2C(=O)N1CCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464779147 989006374 /nfs/dbraw/zinc/00/63/74/989006374.db2.gz PLSZYTOLVUGUQH-UHFFFAOYSA-N 1 0 423.469 3.514 20 5 HHBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464828792 989066437 /nfs/dbraw/zinc/06/64/37/989066437.db2.gz DBIDALSPKQZVGT-GOSISDBHSA-N 1 0 407.474 3.599 20 5 HHBDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000471055867 989137581 /nfs/dbraw/zinc/13/75/81/989137581.db2.gz KOWXATJGYHQPEE-UHFFFAOYSA-N 1 0 424.501 3.566 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000471110749 989213591 /nfs/dbraw/zinc/21/35/91/989213591.db2.gz VOMXTKDAFAOMPL-UHFFFAOYSA-N 1 0 412.490 3.767 20 5 HHBDRO CCOc1ccc(C(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000464951398 989246223 /nfs/dbraw/zinc/24/62/23/989246223.db2.gz KAVSHJAQRLWDMF-IBGZPJMESA-N 1 0 411.502 3.978 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000471225664 989368771 /nfs/dbraw/zinc/36/87/71/989368771.db2.gz HPNJDRLEAYRQIF-UHFFFAOYSA-N 1 0 412.490 3.634 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000471283276 989437892 /nfs/dbraw/zinc/43/78/92/989437892.db2.gz OLIMDMTYNVDNKC-HNNXBMFYSA-N 1 0 407.392 3.866 20 5 HHBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000465278014 989635881 /nfs/dbraw/zinc/63/58/81/989635881.db2.gz RONXHDCIIPVABC-ROUUACIJSA-N 1 0 402.539 3.539 20 5 HHBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000466137148 991317620 /nfs/dbraw/zinc/31/76/20/991317620.db2.gz AISXZUCKELEPJX-UHFFFAOYSA-N 1 0 410.518 3.691 20 5 HHBDRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])ccc1OC ZINC000466305704 991559237 /nfs/dbraw/zinc/55/92/37/991559237.db2.gz FCIPWBLLDBUUQL-UHFFFAOYSA-N 1 0 405.426 3.715 20 5 HHBDRO Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1NC(=O)CC[NH+](C)C ZINC000466464594 991755582 /nfs/dbraw/zinc/75/55/82/991755582.db2.gz LPJPFPIAQLKBOB-UHFFFAOYSA-N 1 0 403.414 3.577 20 5 HHBDRO COCC[N@H+](C)CCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467288569 992611991 /nfs/dbraw/zinc/61/19/91/992611991.db2.gz PFGHDJDHXOIBDJ-UHFFFAOYSA-N 1 0 423.922 3.707 20 5 HHBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000467552214 992831896 /nfs/dbraw/zinc/83/18/96/992831896.db2.gz WBLWDYWCFQKBHX-OAQYLSRUSA-N 1 0 402.447 3.647 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000467719687 992973058 /nfs/dbraw/zinc/97/30/58/992973058.db2.gz DTIGAXJDSDIWRC-IAQYHMDHSA-N 1 0 418.544 3.723 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)c1 ZINC000467735697 992986284 /nfs/dbraw/zinc/98/62/84/992986284.db2.gz OXXXSVJHSYBSEZ-UHFFFAOYSA-N 1 0 413.503 3.770 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000472391453 993386415 /nfs/dbraw/zinc/38/64/15/993386415.db2.gz XZTCGRAXALBRNP-FQEVSTJZSA-N 1 0 408.502 3.791 20 5 HHBDRO O=C(Nc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1)c1cccnc1 ZINC000472646295 993583141 /nfs/dbraw/zinc/58/31/41/993583141.db2.gz LITDOYJPTUMKSA-UXHICEINSA-N 1 0 420.473 3.712 20 5 HHBDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000480720550 993588477 /nfs/dbraw/zinc/58/84/77/993588477.db2.gz SVNMKFCNMHIVBE-GOSISDBHSA-N 1 0 407.467 3.515 20 5 HHBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000480732865 993598348 /nfs/dbraw/zinc/59/83/48/993598348.db2.gz SMVSXUPZRYJPOH-PKOBYXMFSA-N 1 0 417.531 3.543 20 5 HHBDRO CC[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000480904316 993760826 /nfs/dbraw/zinc/76/08/26/993760826.db2.gz FWTMYQQOBTUKTP-KRWDZBQOSA-N 1 0 406.280 3.828 20 5 HHBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000481063900 993904851 /nfs/dbraw/zinc/90/48/51/993904851.db2.gz YURFZUAAWPSACQ-YJBOKZPZSA-N 1 0 423.560 3.635 20 5 HHBDRO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481183646 994014535 /nfs/dbraw/zinc/01/45/35/994014535.db2.gz RIEYTXVBGSFILQ-AWEZNQCLSA-N 1 0 406.446 3.886 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000481200389 994034572 /nfs/dbraw/zinc/03/45/72/994034572.db2.gz QKYZAZUGQAEHTA-JXFKEZNVSA-N 1 0 407.474 3.645 20 5 HHBDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000481312293 994129879 /nfs/dbraw/zinc/12/98/79/994129879.db2.gz WZJLXGKTTUNMAR-SJORKVTESA-N 1 0 417.531 3.866 20 5 HHBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000481762347 994615752 /nfs/dbraw/zinc/61/57/52/994615752.db2.gz SGNQUVLTMPKBAM-WMZOPIPTSA-N 1 0 418.519 3.840 20 5 HHBDRO Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000473780095 994702876 /nfs/dbraw/zinc/70/28/76/994702876.db2.gz HYWLWFDLLKCRKI-SFTDATJTSA-N 1 0 417.554 3.704 20 5 HHBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481868205 994729651 /nfs/dbraw/zinc/72/96/51/994729651.db2.gz ZXMGQARLKKWCMF-IRLDBZIGSA-N 1 0 422.529 3.910 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000481880561 994744722 /nfs/dbraw/zinc/74/47/22/994744722.db2.gz DRCGSXYOXGUMCR-GHTZIAJQSA-N 1 0 409.486 3.730 20 5 HHBDRO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000482007034 994911758 /nfs/dbraw/zinc/91/17/58/994911758.db2.gz GHCFCUBVUSKEKM-PMACEKPBSA-N 1 0 415.877 3.965 20 5 HHBDRO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1 ZINC000482008904 994913345 /nfs/dbraw/zinc/91/33/45/994913345.db2.gz NPDHFMBYSYPINX-QGZVFWFLSA-N 1 0 422.441 3.723 20 5 HHBDRO COc1cccc([C@@H]2[C@@H](NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC[N@@H+]2C2CC2)c1 ZINC000482049123 994972195 /nfs/dbraw/zinc/97/21/95/994972195.db2.gz MZWGKOBGCXDTHS-FCHUYYIVSA-N 1 0 423.513 3.975 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000482054147 994980998 /nfs/dbraw/zinc/98/09/98/994980998.db2.gz OYSALRVHXTULMS-IEBWSBKVSA-N 1 0 419.485 3.563 20 5 HHBDRO Cc1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482057088 994985854 /nfs/dbraw/zinc/98/58/54/994985854.db2.gz TWBBHFQQJYYIEI-UHFFFAOYSA-N 1 0 422.489 3.562 20 5 HHBDRO CC[C@@H]([NH2+]C1CCN(C(=O)Cc2ccccc2OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482109416 995056620 /nfs/dbraw/zinc/05/66/20/995056620.db2.gz KOLOZTBUWIYMEO-OAQYLSRUSA-N 1 0 411.502 3.878 20 5 HHBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482165010 995123199 /nfs/dbraw/zinc/12/31/99/995123199.db2.gz QCMVWVUFBVAVHP-FQEVSTJZSA-N 1 0 409.490 3.891 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000482208992 995192530 /nfs/dbraw/zinc/19/25/30/995192530.db2.gz IRNAPSICVZUURI-UHFFFAOYSA-N 1 0 411.502 3.704 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)cc1[N+](=O)[O-] ZINC000474354238 995333487 /nfs/dbraw/zinc/33/34/87/995333487.db2.gz QUICFYYMIIYPDI-HXUWFJFHSA-N 1 0 408.401 3.912 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]CC(C)(C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000474360495 995341046 /nfs/dbraw/zinc/34/10/46/995341046.db2.gz WWVJEJHTBHKWEZ-UHFFFAOYSA-N 1 0 406.866 3.867 20 5 HHBDRO Cc1cc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000482427717 995419825 /nfs/dbraw/zinc/41/98/25/995419825.db2.gz QSFLABBZJUOWSD-UHFFFAOYSA-N 1 0 411.502 3.704 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000482432247 995425052 /nfs/dbraw/zinc/42/50/52/995425052.db2.gz ABWGTUYKPULUHZ-CQSZACIVSA-N 1 0 411.549 3.580 20 5 HHBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000482498747 995509703 /nfs/dbraw/zinc/50/97/03/995509703.db2.gz BUSDYFHJBLKZCH-MQSCRBSSSA-N 1 0 422.485 3.730 20 5 HHBDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000482501780 995511834 /nfs/dbraw/zinc/51/18/34/995511834.db2.gz CTIRLHPBZKMFNA-IRXDYDNUSA-N 1 0 404.488 3.866 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000483131675 995993865 /nfs/dbraw/zinc/99/38/65/995993865.db2.gz SDZSTDXNQOGRCB-UHFFFAOYSA-N 1 0 403.504 3.577 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000475569284 996223689 /nfs/dbraw/zinc/22/36/89/996223689.db2.gz CBZQLKVYQMGHHQ-SJLPKXTDSA-N 1 0 402.422 3.712 20 5 HHBDRO COC(=O)COc1ccc(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000475572172 996225224 /nfs/dbraw/zinc/22/52/24/996225224.db2.gz NZUKIKSHFUYERF-UHFFFAOYSA-N 1 0 412.364 3.797 20 5 HHBDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C[C@@]2(CCOC2)O1 ZINC000475617826 996252137 /nfs/dbraw/zinc/25/21/37/996252137.db2.gz MWVVJSVJURHNHQ-QVKFZJNVSA-N 1 0 402.447 3.633 20 5 HHBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483591792 996272044 /nfs/dbraw/zinc/27/20/44/996272044.db2.gz KUCMUMHVCSLVHP-FPOVZHCZSA-N 1 0 408.502 3.520 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000483591525 996272142 /nfs/dbraw/zinc/27/21/42/996272142.db2.gz JRBBFDKGXLQZJS-MDKPJZGXSA-N 1 0 423.517 3.719 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000475668630 996288953 /nfs/dbraw/zinc/28/89/53/996288953.db2.gz FMTODQPFGKNHJP-JCNLHEQBSA-N 1 0 404.850 3.836 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000475690736 996303061 /nfs/dbraw/zinc/30/30/61/996303061.db2.gz FPDXSUTXDLRSGL-MRXNPFEDSA-N 1 0 404.850 3.790 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000475720732 996322746 /nfs/dbraw/zinc/32/27/46/996322746.db2.gz AWFOAFMRGGZUSA-KDOFPFPSSA-N 1 0 402.422 3.869 20 5 HHBDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000484285811 996679386 /nfs/dbraw/zinc/67/93/86/996679386.db2.gz CJYJIJSIYVFQRV-YWZLYKJASA-N 1 0 417.531 3.857 20 5 HHBDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000484285808 996679394 /nfs/dbraw/zinc/67/93/94/996679394.db2.gz CJYJIJSIYVFQRV-FOIQADDNSA-N 1 0 417.531 3.857 20 5 HHBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000484291843 996682804 /nfs/dbraw/zinc/68/28/04/996682804.db2.gz NPGYNKVZMWUAFC-GDBMZVCRSA-N 1 0 403.504 3.611 20 5 HHBDRO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000484650933 996986885 /nfs/dbraw/zinc/98/68/85/996986885.db2.gz MEFKZFHWMKSLDK-LEWJYISDSA-N 1 0 418.515 3.657 20 5 HHBDRO CC[C@H](C)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000484893848 997261717 /nfs/dbraw/zinc/26/17/17/997261717.db2.gz NATFFCFPMQNVFR-ZDUSSCGKSA-N 1 0 413.400 3.549 20 5 HHBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000484897512 997266007 /nfs/dbraw/zinc/26/60/07/997266007.db2.gz DXGLMVLYVWSGQZ-GXTWGEPZSA-N 1 0 400.353 3.584 20 5 HHBDRO COc1c(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000476726626 997275542 /nfs/dbraw/zinc/27/55/42/997275542.db2.gz ONKHLVTXNQYVKE-INIZCTEOSA-N 1 0 411.380 3.655 20 5 HHBDRO CCNc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000484949312 997327210 /nfs/dbraw/zinc/32/72/10/997327210.db2.gz MUDXJZLEVLTXPO-UXHICEINSA-N 1 0 408.502 3.621 20 5 HHBDRO CCNc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000484949316 997327430 /nfs/dbraw/zinc/32/74/30/997327430.db2.gz MUDXJZLEVLTXPO-VQTJNVASSA-N 1 0 408.502 3.621 20 5 HHBDRO CN(c1ncc([N+](=O)[O-])cc1Br)C1CC[NH+](Cc2ccccc2)CC1 ZINC000485132629 997518023 /nfs/dbraw/zinc/51/80/23/997518023.db2.gz QZAWIMRDFJELLI-UHFFFAOYSA-N 1 0 405.296 3.853 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485165621 997548629 /nfs/dbraw/zinc/54/86/29/997548629.db2.gz GVTJCWMZDQGMHJ-LPHOPBHVSA-N 1 0 408.502 3.810 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476981120 997601439 /nfs/dbraw/zinc/60/14/39/997601439.db2.gz NJYXNZDXYSJSSQ-VLIAUNLRSA-N 1 0 420.872 3.608 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000476981115 997601573 /nfs/dbraw/zinc/60/15/73/997601573.db2.gz NJYXNZDXYSJSSQ-JLTOFOAXSA-N 1 0 420.872 3.608 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000477056981 997701257 /nfs/dbraw/zinc/70/12/57/997701257.db2.gz IHYFAMIBHNXWSS-XMMPIXPASA-N 1 0 422.529 3.830 20 5 HHBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477081838 997735558 /nfs/dbraw/zinc/73/55/58/997735558.db2.gz NDTFAHUUHDYZOX-UHFFFAOYSA-N 1 0 419.485 3.599 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000477097926 997751760 /nfs/dbraw/zinc/75/17/60/997751760.db2.gz GPUNHFQMDHPNSE-KRWDZBQOSA-N 1 0 409.552 3.568 20 5 HHBDRO C[NH+](C)CCCOC1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485388502 997816513 /nfs/dbraw/zinc/81/65/13/997816513.db2.gz IRTMTZSIGZOXEU-UHFFFAOYSA-N 1 0 402.470 3.733 20 5 HHBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485400989 997832710 /nfs/dbraw/zinc/83/27/10/997832710.db2.gz FIXZIBIPVASTKT-SFHVURJKSA-N 1 0 402.470 3.733 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000477288772 997972957 /nfs/dbraw/zinc/97/29/57/997972957.db2.gz CKGWQWRXAFNODU-GOSISDBHSA-N 1 0 419.428 3.837 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000485580518 998028606 /nfs/dbraw/zinc/02/86/06/998028606.db2.gz PHUZPBBPWWIAJR-DZGCQCFKSA-N 1 0 405.401 3.589 20 5 HHBDRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000485719727 998189497 /nfs/dbraw/zinc/18/94/97/998189497.db2.gz PGUGGULTCXKTTH-CTEOGUNLSA-N 1 0 415.515 3.841 20 5 HHBDRO CC1CC[NH+]([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)c2cccs2)CC1 ZINC000477500098 998222277 /nfs/dbraw/zinc/22/22/77/998222277.db2.gz OOHLCLKDNSTYON-GOSISDBHSA-N 1 0 405.495 3.927 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 ZINC000477537372 998257138 /nfs/dbraw/zinc/25/71/38/998257138.db2.gz BNZQPRIXTHKYAX-UHFFFAOYSA-N 1 0 420.263 3.583 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])c1 ZINC000485824770 998291701 /nfs/dbraw/zinc/29/17/01/998291701.db2.gz SMQPYUYKBIVDJN-GFCCVEGCSA-N 1 0 400.460 3.893 20 5 HHBDRO Cc1c(C[N@@H+](C)[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000485831043 998297232 /nfs/dbraw/zinc/29/72/32/998297232.db2.gz GSPURYGJSIPMIZ-MRXNPFEDSA-N 1 0 403.504 3.636 20 5 HHBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1 ZINC000477653341 998368209 /nfs/dbraw/zinc/36/82/09/998368209.db2.gz XLNORBDMHMWUJZ-UHFFFAOYSA-N 1 0 422.485 3.666 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000485923015 998372260 /nfs/dbraw/zinc/37/22/60/998372260.db2.gz UHJPVIOWDLWVLI-UHFFFAOYSA-N 1 0 412.490 3.664 20 5 HHBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000485942619 998386788 /nfs/dbraw/zinc/38/67/88/998386788.db2.gz GCCWZGOXPJLBPY-OAHLLOKOSA-N 1 0 414.893 3.827 20 5 HHBDRO COC(=O)c1cnc(NCc2ccccc2C[N@H+](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000477729090 998461108 /nfs/dbraw/zinc/46/11/08/998461108.db2.gz DNQIQUQZOJPDEG-UHFFFAOYSA-N 1 0 410.430 3.614 20 5 HHBDRO O=C1[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCN1Cc1ccc(F)cc1 ZINC000477924175 998660368 /nfs/dbraw/zinc/66/03/68/998660368.db2.gz DQAQLCAEASRITP-JRGCBEDISA-N 1 0 411.477 3.836 20 5 HHBDRO COc1ccc(NC(=O)CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000478051625 998737034 /nfs/dbraw/zinc/73/70/34/998737034.db2.gz CIRINUNYLYGMEX-KRWDZBQOSA-N 1 0 418.538 3.518 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000478053705 998738623 /nfs/dbraw/zinc/73/86/23/998738623.db2.gz MUSOTOCRXMMJRR-SFHVURJKSA-N 1 0 402.539 3.534 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000486650606 998876269 /nfs/dbraw/zinc/87/62/69/998876269.db2.gz LORDBKNQDAAFIZ-QGZVFWFLSA-N 1 0 415.515 3.892 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000486650605 998876292 /nfs/dbraw/zinc/87/62/92/998876292.db2.gz LORDBKNQDAAFIZ-KRWDZBQOSA-N 1 0 415.515 3.892 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[NH+]2CCCC2)cc1 ZINC000486674733 998888167 /nfs/dbraw/zinc/88/81/67/998888167.db2.gz JNJHIVYJVJTCTN-QFIPXVFZSA-N 1 0 419.485 3.656 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1SC ZINC000486954802 999018115 /nfs/dbraw/zinc/01/81/15/999018115.db2.gz LVHZNEGRQHIGPY-OKILXGFUSA-N 1 0 409.552 3.812 20 5 HHBDRO COc1cc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c([N+](=O)[O-])cc1OC ZINC000478614350 999047367 /nfs/dbraw/zinc/04/73/67/999047367.db2.gz ACXNMUNRAGJVET-INIZCTEOSA-N 1 0 419.522 3.729 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000487182764 999090407 /nfs/dbraw/zinc/09/04/07/999090407.db2.gz CPGGMZGDQQDOOE-SFHVURJKSA-N 1 0 408.861 3.532 20 5 HHBDRO CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000487671771 999248748 /nfs/dbraw/zinc/24/87/48/999248748.db2.gz DBJHMLIAMCGKOA-CRAIPNDOSA-N 1 0 411.458 3.621 20 5 HHBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487876923 999301691 /nfs/dbraw/zinc/30/16/91/999301691.db2.gz RCYNVUSUOXYTDV-LJQANCHMSA-N 1 0 414.550 3.923 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000479199944 999323060 /nfs/dbraw/zinc/32/30/60/999323060.db2.gz YPTCNNPNZCILPD-OAHLLOKOSA-N 1 0 407.474 3.776 20 5 HHBDRO Cc1cc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000487992667 999340360 /nfs/dbraw/zinc/34/03/60/999340360.db2.gz LKUQWCGYHFZPHH-FQEVSTJZSA-N 1 0 417.513 3.759 20 5 HHBDRO COc1cccc([C@H]2[C@@H](NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000488365263 999459045 /nfs/dbraw/zinc/45/90/45/999459045.db2.gz DRJRVLVSOBIZQB-UNMCSNQZSA-N 1 0 424.501 3.723 20 5 HHBDRO COc1cccc([C@@H]2[C@@H](NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000488365262 999459099 /nfs/dbraw/zinc/45/90/99/999459099.db2.gz DRJRVLVSOBIZQB-RBBKRZOGSA-N 1 0 424.501 3.723 20 5 HHBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000479533300 999464160 /nfs/dbraw/zinc/46/41/60/999464160.db2.gz OWVZVIJVMYJFDC-CYBMUJFWSA-N 1 0 416.444 3.604 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000488458581 999492664 /nfs/dbraw/zinc/49/26/64/999492664.db2.gz NIBLSACTWXXLII-FOIQADDNSA-N 1 0 401.894 3.818 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000488520462 999516162 /nfs/dbraw/zinc/51/61/62/999516162.db2.gz VSPXOVSLDIYQCI-NQIIRXRSSA-N 1 0 422.529 3.835 20 5 HHBDRO Cc1c(CNC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000479675040 999531854 /nfs/dbraw/zinc/53/18/54/999531854.db2.gz GSJVGAJBNXGLGK-IRXDYDNUSA-N 1 0 410.518 3.859 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c(F)c1 ZINC000488757505 999598408 /nfs/dbraw/zinc/59/84/08/999598408.db2.gz BHHLJISUUUBJAX-UHFFFAOYSA-N 1 0 421.494 3.588 20 5 HHBDRO C[C@@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000488775485 999603744 /nfs/dbraw/zinc/60/37/44/999603744.db2.gz LNEHYLFVERSEKX-NSHDSACASA-N 1 0 408.371 3.955 20 5 HHBDRO CC(C)CCSc1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000488779830 999605370 /nfs/dbraw/zinc/60/53/70/999605370.db2.gz VNKMDUWHESRAKX-QGZVFWFLSA-N 1 0 421.563 3.527 20 5 HHBDRO C[NH+](C)C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488885896 999636769 /nfs/dbraw/zinc/63/67/69/999636769.db2.gz GICRIDBEGZORHO-IBGZPJMESA-N 1 0 408.433 3.829 20 5 HHBDRO C[NH+](C)C[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488885897 999636815 /nfs/dbraw/zinc/63/68/15/999636815.db2.gz GICRIDBEGZORHO-LJQANCHMSA-N 1 0 408.433 3.829 20 5 HHBDRO COc1cc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc([N+](=O)[O-])c1C ZINC000479933979 999654099 /nfs/dbraw/zinc/65/40/99/999654099.db2.gz UYOJZDNHXKFSJZ-UHFFFAOYSA-N 1 0 403.504 3.615 20 5 HHBDRO CCN(C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cccc2ccccc21 ZINC000488994012 999666792 /nfs/dbraw/zinc/66/67/92/999666792.db2.gz DHBWNYCSQQAKOM-UHFFFAOYSA-N 1 0 407.474 3.635 20 5 HHBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000480058569 999704894 /nfs/dbraw/zinc/70/48/94/999704894.db2.gz SNHHDBPXFZPSIL-FQEVSTJZSA-N 1 0 410.518 3.957 20 5 HHBDRO Cc1ccc([C@H](C)NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000489144454 999711194 /nfs/dbraw/zinc/71/11/94/999711194.db2.gz XVQUBCLILCNURJ-KRWDZBQOSA-N 1 0 414.506 3.794 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000489149515 999712291 /nfs/dbraw/zinc/71/22/91/999712291.db2.gz TUELTEMJJYHRTE-UHFFFAOYSA-N 1 0 416.503 3.827 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000489286580 999737468 /nfs/dbraw/zinc/73/74/68/999737468.db2.gz CSXCVCGOCDHSLO-MRXNPFEDSA-N 1 0 421.563 3.574 20 5 HHBDRO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000489864505 999851073 /nfs/dbraw/zinc/85/10/73/999851073.db2.gz KRBSWJIUDSBFTK-GOSISDBHSA-N 1 0 410.518 3.971 20 5 HHBDRO Cc1ccc(C)c(S(=O)(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000480689919 999860136 /nfs/dbraw/zinc/86/01/36/999860136.db2.gz PPXNVMOZGKBPAK-UHFFFAOYSA-N 1 0 409.552 3.533 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000489952181 999868488 /nfs/dbraw/zinc/86/84/88/999868488.db2.gz HLPXXRGMXPALTN-LJQANCHMSA-N 1 0 415.490 3.813 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000490001137 999875729 /nfs/dbraw/zinc/87/57/29/999875729.db2.gz UFWCCBZTTGOPDP-UHFFFAOYSA-N 1 0 403.508 3.811 20 5 HHBDRO C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490760567 1000002034 /nfs/dbraw/zinc/00/20/34/1000002034.db2.gz UKNDMDICMWDOIY-UYAOXDASSA-N 1 0 410.518 3.814 20 5 HHBDRO COc1cc(CNC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491049135 1000039211 /nfs/dbraw/zinc/03/92/11/1000039211.db2.gz FIQYEIAZJBSFCS-UONOGXRCSA-N 1 0 401.454 3.600 20 5 HHBDRO COc1cc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491137877 1000049079 /nfs/dbraw/zinc/04/90/79/1000049079.db2.gz QNBUGKOXIPNTNK-MRXNPFEDSA-N 1 0 413.465 3.698 20 5 HHBDRO CC[C@H](NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000493133452 1000159126 /nfs/dbraw/zinc/15/91/26/1000159126.db2.gz PMDUXGRAHRAEGD-FVJLSDCUSA-N 1 0 418.538 3.577 20 5 HHBDRO COc1cc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000493733366 1000188456 /nfs/dbraw/zinc/18/84/56/1000188456.db2.gz FCENDXOESYHCRC-YJYMSZOUSA-N 1 0 402.438 3.788 20 5 HHBDRO COc1cc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c([N+](=O)[O-])cc1OCC(F)F ZINC000493768801 1000191511 /nfs/dbraw/zinc/19/15/11/1000191511.db2.gz YPRLNOCMCKSACD-WHSLLNHNSA-N 1 0 404.413 3.923 20 5 HHBDRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000493911016 1000209639 /nfs/dbraw/zinc/20/96/39/1000209639.db2.gz DCTFBEMQHXDGOL-UHFFFAOYSA-N 1 0 407.474 3.777 20 5 HHBDRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000493952442 1000234494 /nfs/dbraw/zinc/23/44/94/1000234494.db2.gz KVFLCJJRCFXBRU-QAPCUYQASA-N 1 0 411.792 3.585 20 5 HHBDRO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000494020227 1000271741 /nfs/dbraw/zinc/27/17/41/1000271741.db2.gz XUCMEQSPMUBVHG-UGSOOPFHSA-N 1 0 418.291 3.750 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1[N+](=O)[O-] ZINC000504893033 1000432387 /nfs/dbraw/zinc/43/23/87/1000432387.db2.gz AYTKBLQHQNSTGQ-WBVHZDCISA-N 1 0 415.490 3.940 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000504927829 1000453483 /nfs/dbraw/zinc/45/34/83/1000453483.db2.gz VHDQTOCCXKGONU-LSDHHAIUSA-N 1 0 421.519 3.656 20 5 HHBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494424730 1000485651 /nfs/dbraw/zinc/48/56/51/1000485651.db2.gz JOTILRKPPBBJDI-FQEVSTJZSA-N 1 0 408.502 3.933 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494478588 1000514280 /nfs/dbraw/zinc/51/42/80/1000514280.db2.gz SWVMYFSREOWUDH-HNAYVOBHSA-N 1 0 407.829 3.754 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494478585 1000514340 /nfs/dbraw/zinc/51/43/40/1000514340.db2.gz SWVMYFSREOWUDH-BEFAXECRSA-N 1 0 407.829 3.754 20 5 HHBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494479776 1000514924 /nfs/dbraw/zinc/51/49/24/1000514924.db2.gz YYGHQTOTRHAOSK-LIXBPZJASA-N 1 0 407.829 3.834 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000494484861 1000517766 /nfs/dbraw/zinc/51/77/66/1000517766.db2.gz KZGSZNPBQBWBME-KSSFIOAISA-N 1 0 403.445 3.840 20 5 HHBDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000494486487 1000518759 /nfs/dbraw/zinc/51/87/59/1000518759.db2.gz UPCWUSXEXJVPQR-UHFFFAOYSA-N 1 0 403.504 3.583 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494488958 1000519562 /nfs/dbraw/zinc/51/95/62/1000519562.db2.gz BPHRILIWRJUIED-XLIONFOSSA-N 1 0 419.865 3.705 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494488956 1000519651 /nfs/dbraw/zinc/51/96/51/1000519651.db2.gz BPHRILIWRJUIED-FXAWDEMLSA-N 1 0 419.865 3.705 20 5 HHBDRO O=C1[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000494492786 1000522210 /nfs/dbraw/zinc/52/22/10/1000522210.db2.gz MGKBZHVVVNHLAR-QRVBRYPASA-N 1 0 419.840 3.612 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494512222 1000533225 /nfs/dbraw/zinc/53/32/25/1000533225.db2.gz YFWZEQAAXMDDGO-APWZRJJASA-N 1 0 407.829 3.754 20 5 HHBDRO COc1ccc(OCC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000494515077 1000534058 /nfs/dbraw/zinc/53/40/58/1000534058.db2.gz XTFRCWUGUUFJBH-QFBILLFUSA-N 1 0 410.829 3.895 20 5 HHBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000494680247 1000600550 /nfs/dbraw/zinc/60/05/50/1000600550.db2.gz MRLKULAXOCLJOP-DLBZAZTESA-N 1 0 400.422 3.685 20 5 HHBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505268996 1000658459 /nfs/dbraw/zinc/65/84/59/1000658459.db2.gz QWUNURNYPNBTKQ-UHFFFAOYSA-N 1 0 411.506 3.509 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCC[C@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000505313671 1000694596 /nfs/dbraw/zinc/69/45/96/1000694596.db2.gz HYDHRLNAXKKEQN-INIZCTEOSA-N 1 0 402.495 3.809 20 5 HHBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494871412 1000706645 /nfs/dbraw/zinc/70/66/45/1000706645.db2.gz BCZUURTXOFEQBD-CHWSQXEVSA-N 1 0 402.417 3.676 20 5 HHBDRO C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@H+](C)Cc1ccccc1 ZINC000495002113 1000772266 /nfs/dbraw/zinc/77/22/66/1000772266.db2.gz VZMGEVGIESHBPQ-AWEZNQCLSA-N 1 0 424.423 3.933 20 5 HHBDRO C[NH+](C)CCOc1cc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000495028293 1000787700 /nfs/dbraw/zinc/78/77/00/1000787700.db2.gz MJQULLAFHUBLAV-QHCPKHFHSA-N 1 0 406.486 3.809 20 5 HHBDRO CCOc1cc(C[NH+]2CCCCCC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000505466368 1000793265 /nfs/dbraw/zinc/79/32/65/1000793265.db2.gz GHIURUQCNDEYCX-UHFFFAOYSA-N 1 0 402.495 3.953 20 5 HHBDRO COc1cc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000495089698 1000831133 /nfs/dbraw/zinc/83/11/33/1000831133.db2.gz ODZIPTCUNXJRKG-WIYYLYMNSA-N 1 0 411.502 3.708 20 5 HHBDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccccc1 ZINC000505515509 1000855355 /nfs/dbraw/zinc/85/53/55/1000855355.db2.gz VSBWEFZDXNBDHJ-HXUWFJFHSA-N 1 0 410.474 3.516 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-])c1ccccn1 ZINC000505662127 1000961630 /nfs/dbraw/zinc/96/16/30/1000961630.db2.gz VUEHGEBLOWBPHA-SBUREZEXSA-N 1 0 423.517 3.721 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000495411478 1001002909 /nfs/dbraw/zinc/00/29/09/1001002909.db2.gz IPWDXOGNFHILAN-UHFFFAOYSA-N 1 0 415.515 3.916 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000495880996 1001089252 /nfs/dbraw/zinc/08/92/52/1001089252.db2.gz HVQWAVOUKPIQRJ-KRWDZBQOSA-N 1 0 409.552 3.574 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000505905613 1001091940 /nfs/dbraw/zinc/09/19/40/1001091940.db2.gz GIUVSDKSUFPMPO-MOPGFXCFSA-N 1 0 414.550 3.922 20 5 HHBDRO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000505939407 1001115451 /nfs/dbraw/zinc/11/54/51/1001115451.db2.gz VYXUBURQHNUYDR-UHFFFAOYSA-N 1 0 405.458 3.511 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000496263858 1001148782 /nfs/dbraw/zinc/14/87/82/1001148782.db2.gz PZOIOFVWXZRZRD-SFHVURJKSA-N 1 0 407.474 3.598 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(Br)c1 ZINC000497101813 1001270318 /nfs/dbraw/zinc/27/03/18/1001270318.db2.gz ZAJKTVZGFKUYDT-QAPCUYQASA-N 1 0 420.307 3.652 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000497329627 1001294629 /nfs/dbraw/zinc/29/46/29/1001294629.db2.gz PZEVDSHXTZVHOI-GOSISDBHSA-N 1 0 410.499 3.621 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000506232998 1001295622 /nfs/dbraw/zinc/29/56/22/1001295622.db2.gz NHBQVYGPRHVDFK-HUUCEWRRSA-N 1 0 415.943 3.523 20 5 HHBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000497357432 1001307524 /nfs/dbraw/zinc/30/75/24/1001307524.db2.gz HULXCBXGSMWDEN-MRXNPFEDSA-N 1 0 405.401 3.543 20 5 HHBDRO CCOc1ccc(NC(=O)CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000506473780 1001428914 /nfs/dbraw/zinc/42/89/14/1001428914.db2.gz ZWXOHPAPTAWMOH-ZWKOTPCHSA-N 1 0 418.538 3.518 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506475028 1001429381 /nfs/dbraw/zinc/42/93/81/1001429381.db2.gz RNSUQGMJQYBFHE-WDSOQIARSA-N 1 0 402.539 3.817 20 5 HHBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccccc1 ZINC000497861524 1001540532 /nfs/dbraw/zinc/54/05/32/1001540532.db2.gz YEOVWAKROQEALE-OAHLLOKOSA-N 1 0 417.531 3.538 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000498113743 1001646690 /nfs/dbraw/zinc/64/66/90/1001646690.db2.gz INMIGZRQGFHJEN-GOSISDBHSA-N 1 0 408.861 3.532 20 5 HHBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000498125309 1001652566 /nfs/dbraw/zinc/65/25/66/1001652566.db2.gz JWOJJFAUWMFZHQ-GOSISDBHSA-N 1 0 420.897 3.910 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000498129237 1001654372 /nfs/dbraw/zinc/65/43/72/1001654372.db2.gz ZNDIRMQHHLVTBV-UHFFFAOYSA-N 1 0 406.280 3.561 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498164452 1001670450 /nfs/dbraw/zinc/67/04/50/1001670450.db2.gz CRNPHGWBMVRWPD-UHFFFAOYSA-N 1 0 411.380 3.539 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000507269803 1001952953 /nfs/dbraw/zinc/95/29/53/1001952953.db2.gz KBRGBDZRYAFLAO-HXUWFJFHSA-N 1 0 423.513 3.562 20 5 HHBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507571531 1002176277 /nfs/dbraw/zinc/17/62/77/1002176277.db2.gz WJKJWBVYUKTQOT-INIZCTEOSA-N 1 0 407.474 3.877 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)C1CC1 ZINC000507621510 1002225936 /nfs/dbraw/zinc/22/59/36/1002225936.db2.gz ORVHFOCPUIBCIP-PMACEKPBSA-N 1 0 421.476 3.918 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000498906181 1002299916 /nfs/dbraw/zinc/29/99/16/1002299916.db2.gz UZOYZUJAVQUUHQ-NRFANRHFSA-N 1 0 406.486 3.720 20 5 HHBDRO C[C@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000507719000 1002307800 /nfs/dbraw/zinc/30/78/00/1002307800.db2.gz QSSJKPCDDPMHRW-OAHLLOKOSA-N 1 0 418.444 3.580 20 5 HHBDRO Cc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c([N+](=O)[O-])c1 ZINC000507990616 1002519140 /nfs/dbraw/zinc/51/91/40/1002519140.db2.gz GZEXAKQGMWIFAZ-UHFFFAOYSA-N 1 0 417.531 3.758 20 5 HHBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000508569470 1003035047 /nfs/dbraw/zinc/03/50/47/1003035047.db2.gz NAAJLGQZHCCBPR-LJQANCHMSA-N 1 0 407.392 3.666 20 5 HHBDRO COc1cc(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000508950137 1003405779 /nfs/dbraw/zinc/40/57/79/1003405779.db2.gz PWIILPXPURNWHA-NRFANRHFSA-N 1 0 411.502 3.806 20 5 HHBDRO COc1cccc(C2(F)CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000500143093 1003501692 /nfs/dbraw/zinc/50/16/92/1003501692.db2.gz XKBZTXSAIMKSFT-UHFFFAOYSA-N 1 0 401.438 3.893 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000500147707 1003504498 /nfs/dbraw/zinc/50/44/98/1003504498.db2.gz ITTXNVSWZWZBHV-FZKQIMNGSA-N 1 0 407.392 3.864 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@]2(c3ccc(Cl)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000500400240 1003693378 /nfs/dbraw/zinc/69/33/78/1003693378.db2.gz SHBDZVXHEDPMPI-ZUOKHONESA-N 1 0 404.850 3.825 20 5 HHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000509345558 1003719873 /nfs/dbraw/zinc/71/98/73/1003719873.db2.gz SBZCSCYNIMXNBI-UHFFFAOYSA-N 1 0 414.506 3.655 20 5 HHBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1[N+](=O)[O-] ZINC000511823790 1003794153 /nfs/dbraw/zinc/79/41/53/1003794153.db2.gz HJQOBIPEVPVCEA-MRXNPFEDSA-N 1 0 423.391 3.627 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)[NH+](C)C)c1 ZINC000509371452 1003799411 /nfs/dbraw/zinc/79/94/11/1003799411.db2.gz JROFYKSPJBQUEW-OAQYLSRUSA-N 1 0 414.506 3.826 20 5 HHBDRO O=[N+]([O-])c1ccc2oc(-c3nc([C@@H]4CN(Cc5ccccc5)CCO4)no3)cc2c1 ZINC000500808190 1003969206 /nfs/dbraw/zinc/96/92/06/1003969206.db2.gz SHMDINHWNNKRLW-IBGZPJMESA-N 1 0 406.398 3.965 20 5 HHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000509608995 1003976883 /nfs/dbraw/zinc/97/68/83/1003976883.db2.gz OWTPSCYFDLRCCQ-UHFFFAOYSA-N 1 0 400.479 3.978 20 5 HHBDRO CC[N@@H+]1CCC[C@@H](CN(C)c2ccc([N+](=O)[O-])c3cnccc32)[C@@H]1c1cnn(C)c1 ZINC000509621776 1003986870 /nfs/dbraw/zinc/98/68/70/1003986870.db2.gz UXYFIRYBOUJDCL-KSFYIVLOSA-N 1 0 408.506 3.786 20 5 HHBDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000512070781 1003999871 /nfs/dbraw/zinc/99/98/71/1003999871.db2.gz HJYGHHIOVLFCEY-YRNRMSPPSA-N 1 0 416.547 3.792 20 5 HHBDRO C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000512070779 1004000005 /nfs/dbraw/zinc/00/00/05/1004000005.db2.gz HJYGHHIOVLFCEY-JXXFODFXSA-N 1 0 416.547 3.792 20 5 HHBDRO Cc1c(Br)cc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000509678061 1004023345 /nfs/dbraw/zinc/02/33/45/1004023345.db2.gz CWJPEFGSKNSRIR-UHFFFAOYSA-N 1 0 422.279 3.858 20 5 HHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000512145560 1004055466 /nfs/dbraw/zinc/05/54/66/1004055466.db2.gz CJMROWXFAZQJAT-OAQYLSRUSA-N 1 0 410.518 3.737 20 5 HHBDRO C[C@H]1C[C@H](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000509759787 1004076754 /nfs/dbraw/zinc/07/67/54/1004076754.db2.gz DFSFISIYWMTFOJ-RXVVDRJESA-N 1 0 410.518 3.737 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNS(=O)(=O)c3ccc([N+](=O)[O-])s3)cc2)C1 ZINC000512769853 1004549419 /nfs/dbraw/zinc/54/94/19/1004549419.db2.gz BAERQUMRCPDVEN-GASCZTMLSA-N 1 0 423.560 3.613 20 5 HHBDRO CCOC1CC2(C1)CC[N@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C2 ZINC000512827600 1004585679 /nfs/dbraw/zinc/58/56/79/1004585679.db2.gz LASDULSIDYPHMN-UHFFFAOYSA-N 1 0 400.422 3.638 20 5 HHBDRO Cc1c(Br)cc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000510494623 1004613287 /nfs/dbraw/zinc/61/32/87/1004613287.db2.gz YJECOAPSRGQDPI-UHFFFAOYSA-N 1 0 424.270 3.796 20 5 HHBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000510524526 1004653502 /nfs/dbraw/zinc/65/35/02/1004653502.db2.gz LLTXFNOATRRBQK-WZONZLPQSA-N 1 0 424.545 3.927 20 5 HHBDRO COc1ccc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512891702 1004658673 /nfs/dbraw/zinc/65/86/73/1004658673.db2.gz QVNLZIPJPABAOO-LPHOPBHVSA-N 1 0 400.475 3.945 20 5 HHBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[NH+](C)C ZINC000510536538 1004668920 /nfs/dbraw/zinc/66/89/20/1004668920.db2.gz GISGZJKLBIKPRK-IERDGZPVSA-N 1 0 407.474 3.510 20 5 HHBDRO C[C@@H]1[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000502158876 1004929764 /nfs/dbraw/zinc/92/97/64/1004929764.db2.gz QTYMWHIAJFHYBG-AUUYWEPGSA-N 1 0 402.882 3.710 20 5 HHBDRO COc1cc(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513472449 1004981505 /nfs/dbraw/zinc/98/15/05/1004981505.db2.gz FMSAFSNTAIEHIA-OAQYLSRUSA-N 1 0 411.502 3.851 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511226718 1005081421 /nfs/dbraw/zinc/08/14/21/1005081421.db2.gz CRUGDUUUWXKIHG-JKSUJKDBSA-N 1 0 421.563 3.716 20 5 HHBDRO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cc1[N+](=O)[O-] ZINC000502491786 1005090576 /nfs/dbraw/zinc/09/05/76/1005090576.db2.gz LKUIQTOOZSGPJC-UHFFFAOYSA-N 1 0 401.488 3.713 20 5 HHBDRO COc1cc(CN2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000513724854 1005097444 /nfs/dbraw/zinc/09/74/44/1005097444.db2.gz JTBDIPXQTYKBIG-HNNXBMFYSA-N 1 0 417.428 3.605 20 5 HHBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000502627286 1005147906 /nfs/dbraw/zinc/14/79/06/1005147906.db2.gz WNMWBPFQGOZPGR-UHFFFAOYSA-N 1 0 420.473 3.539 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511552149 1005221626 /nfs/dbraw/zinc/22/16/26/1005221626.db2.gz KNZDUHUSBGOMCU-AVRDEDQJSA-N 1 0 410.518 3.689 20 5 HHBDRO C[C@H]1C[C@H](CCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000511642150 1005257347 /nfs/dbraw/zinc/25/73/47/1005257347.db2.gz GOMNWAJWFQTICQ-WMZOPIPTSA-N 1 0 417.531 3.711 20 5 HHBDRO Cn1ccnc1[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000514088808 1005260315 /nfs/dbraw/zinc/26/03/15/1005260315.db2.gz NGEYIEWTMNRVDK-NRFANRHFSA-N 1 0 406.486 3.756 20 5 HHBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000502908973 1005270181 /nfs/dbraw/zinc/27/01/81/1005270181.db2.gz DAVCVQVVSSYJEF-QGZVFWFLSA-N 1 0 412.490 3.971 20 5 HHBDRO CCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502919882 1005274744 /nfs/dbraw/zinc/27/47/44/1005274744.db2.gz PMLCUXXJAHWHHP-QGZVFWFLSA-N 1 0 424.501 3.613 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)n2)c1 ZINC000511760711 1005311575 /nfs/dbraw/zinc/31/15/75/1005311575.db2.gz HEGWTLHPXXAIPY-AABGKKOBSA-N 1 0 406.442 3.649 20 5 HHBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000514248513 1005332541 /nfs/dbraw/zinc/33/25/41/1005332541.db2.gz RKHFDXQUQXMICB-JXXFODFXSA-N 1 0 413.474 3.760 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000514313113 1005336034 /nfs/dbraw/zinc/33/60/34/1005336034.db2.gz FJWCNCJUGIHUDF-OAHLLOKOSA-N 1 0 402.447 3.681 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4ncc5n4CCCC5)C3)o2)cc1 ZINC000503381908 1005403768 /nfs/dbraw/zinc/40/37/68/1005403768.db2.gz GDOJAFPFPHBBHF-INIZCTEOSA-N 1 0 408.462 3.557 20 5 HHBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000504018756 1005533553 /nfs/dbraw/zinc/53/35/53/1005533553.db2.gz FETRIQWHQIICAZ-CQSZACIVSA-N 1 0 409.870 3.507 20 5 HHBDRO COc1ccc(CSCC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000514401719 1005975279 /nfs/dbraw/zinc/97/52/79/1005975279.db2.gz ZGLNLYLFMRIIIE-IBGZPJMESA-N 1 0 423.579 3.709 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000531395967 1006172086 /nfs/dbraw/zinc/17/20/86/1006172086.db2.gz KJBOMIXOTCFBAB-UHFFFAOYSA-N 1 0 422.529 3.932 20 5 HHBDRO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531443710 1006199954 /nfs/dbraw/zinc/19/99/54/1006199954.db2.gz AZCQUKJUYYPLOG-UONOGXRCSA-N 1 0 414.462 3.548 20 5 HHBDRO CC(C)Cc1ccc([C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[NH+](C)C)cc1 ZINC000514984356 1006237786 /nfs/dbraw/zinc/23/77/86/1006237786.db2.gz HZSZJBDRKJTZNF-IBGZPJMESA-N 1 0 413.474 3.555 20 5 HHBDRO O=c1[nH]cnc2cc(N3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)c([N+](=O)[O-])cc12 ZINC000534244485 1006252182 /nfs/dbraw/zinc/25/21/82/1006252182.db2.gz ZTRQNZKODMTWND-UHFFFAOYSA-N 1 0 419.485 3.736 20 5 HHBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000531703112 1006365538 /nfs/dbraw/zinc/36/55/38/1006365538.db2.gz GHEZBXOHLFCCEM-IRLDBZIGSA-N 1 0 408.502 3.791 20 5 HHBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000531703104 1006366017 /nfs/dbraw/zinc/36/60/17/1006366017.db2.gz GHEZBXOHLFCCEM-IFMALSPDSA-N 1 0 408.502 3.791 20 5 HHBDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000534475001 1006462014 /nfs/dbraw/zinc/46/20/14/1006462014.db2.gz ULNGXQUFSRSAPQ-SFHVURJKSA-N 1 0 418.457 3.968 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000515470079 1006484257 /nfs/dbraw/zinc/48/42/57/1006484257.db2.gz KLSXTTKBSTUGCK-SFHVURJKSA-N 1 0 419.279 3.740 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000534520528 1006516429 /nfs/dbraw/zinc/51/64/29/1006516429.db2.gz DGCCJGDIMQLCHK-WIYYLYMNSA-N 1 0 424.545 3.734 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000531983576 1006559134 /nfs/dbraw/zinc/55/91/34/1006559134.db2.gz VLESPSPMWLLQQS-UONOGXRCSA-N 1 0 423.872 3.545 20 5 HHBDRO C[C@H]1C[C@H](CCNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[N@@H+]1Cc1ccccc1 ZINC000534573508 1006563282 /nfs/dbraw/zinc/56/32/82/1006563282.db2.gz NWONUPPNVZRJGV-ICSRJNTNSA-N 1 0 422.529 3.963 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000538345184 1006612945 /nfs/dbraw/zinc/61/29/45/1006612945.db2.gz FPFHYDJTPKZRTH-UHFFFAOYSA-N 1 0 422.460 4.000 20 5 HHBDRO COc1ccc([C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[NH+]2CCCC2)cc1 ZINC000534648075 1006626624 /nfs/dbraw/zinc/62/66/24/1006626624.db2.gz DDFRGUXGUCRKJI-QFIPXVFZSA-N 1 0 422.485 3.581 20 5 HHBDRO COc1cccc([C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[NH+]2CCCC2)c1 ZINC000534648132 1006626744 /nfs/dbraw/zinc/62/67/44/1006626744.db2.gz GVMQCFPGYICBKE-QFIPXVFZSA-N 1 0 422.485 3.581 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000534695935 1006679242 /nfs/dbraw/zinc/67/92/42/1006679242.db2.gz JRBLTFYMAVLDQW-KRWDZBQOSA-N 1 0 419.865 3.739 20 5 HHBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000534697218 1006681746 /nfs/dbraw/zinc/68/17/46/1006681746.db2.gz SUWNIWLPFFMMLI-NRFANRHFSA-N 1 0 410.518 3.691 20 5 HHBDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000538419188 1006687203 /nfs/dbraw/zinc/68/72/03/1006687203.db2.gz DSXRSZPYQHTKLG-DOMZBBRYSA-N 1 0 412.895 3.954 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000538424666 1006691026 /nfs/dbraw/zinc/69/10/26/1006691026.db2.gz OTCRBVBXGAPJDE-UHFFFAOYSA-N 1 0 403.479 3.894 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000538426193 1006692314 /nfs/dbraw/zinc/69/23/14/1006692314.db2.gz CYFUBLZGVZENEA-FQEVSTJZSA-N 1 0 411.502 3.653 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000538498427 1006766009 /nfs/dbraw/zinc/76/60/09/1006766009.db2.gz CFULZQAARRPRDB-KRWDZBQOSA-N 1 0 417.531 3.811 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000532288208 1006771910 /nfs/dbraw/zinc/77/19/10/1006771910.db2.gz PQSXLDPLFGHOSC-LJQANCHMSA-N 1 0 402.882 3.619 20 5 HHBDRO COc1cccc([C@@H]2[C@@H](Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC[N@@H+]2C2CC2)c1 ZINC000538674868 1006959759 /nfs/dbraw/zinc/95/97/59/1006959759.db2.gz GLJVFSXHUAUBEN-FDDCHVKYSA-N 1 0 422.485 3.878 20 5 HHBDRO O=C(C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532561879 1006993982 /nfs/dbraw/zinc/99/39/82/1006993982.db2.gz WTABRVHEJDSLIG-UHFFFAOYSA-N 1 0 422.460 3.984 20 5 HHBDRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 ZINC000532576527 1007007524 /nfs/dbraw/zinc/00/75/24/1007007524.db2.gz DSFOCPFXCCCUFK-CYBMUJFWSA-N 1 0 404.492 3.913 20 5 HHBDRO Cc1cccc(NC[C@H]2CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000532577766 1007010690 /nfs/dbraw/zinc/01/06/90/1007010690.db2.gz GMAPMALSUTWCLJ-QGZVFWFLSA-N 1 0 407.474 3.930 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534962773 1007012144 /nfs/dbraw/zinc/01/21/44/1007012144.db2.gz JOMHNYSICKRECV-MGPUTAFESA-N 1 0 405.857 3.739 20 5 HHBDRO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000516337493 1007026072 /nfs/dbraw/zinc/02/60/72/1007026072.db2.gz MOLWHDCLHYGXPL-SFHVURJKSA-N 1 0 401.413 3.641 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000538750816 1007035553 /nfs/dbraw/zinc/03/55/53/1007035553.db2.gz ADBFCSBQOBAADA-AWEZNQCLSA-N 1 0 417.428 3.616 20 5 HHBDRO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000532703548 1007118279 /nfs/dbraw/zinc/11/82/79/1007118279.db2.gz ACQLSVAIUKKSCU-FQEVSTJZSA-N 1 0 417.469 3.929 20 5 HHBDRO C[C@H](NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000538851649 1007125364 /nfs/dbraw/zinc/12/53/64/1007125364.db2.gz WODXVQRXTMRJCY-KRWDZBQOSA-N 1 0 411.506 3.999 20 5 HHBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2Cn2c(C)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000535208451 1007257176 /nfs/dbraw/zinc/25/71/76/1007257176.db2.gz YLLANSUKIVYHIJ-QGZVFWFLSA-N 1 0 410.474 3.805 20 5 HHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538981626 1007274311 /nfs/dbraw/zinc/27/43/11/1007274311.db2.gz WQMLDJSFDZWDMC-UHFFFAOYSA-N 1 0 411.506 3.826 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1C(F)(F)F ZINC000535232589 1007286119 /nfs/dbraw/zinc/28/61/19/1007286119.db2.gz GBDGOJIVCKKPND-CRAIPNDOSA-N 1 0 409.408 3.909 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)cc1[N+](=O)[O-] ZINC000516795974 1007292987 /nfs/dbraw/zinc/29/29/87/1007292987.db2.gz ZTDPRKIOEUEREF-DWQUBVKVSA-N 1 0 402.451 3.825 20 5 HHBDRO C[C@H](C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000516920111 1007344173 /nfs/dbraw/zinc/34/41/73/1007344173.db2.gz FXZFOTLDGUMGCT-AWEZNQCLSA-N 1 0 402.882 3.742 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000532976952 1007348070 /nfs/dbraw/zinc/34/80/70/1007348070.db2.gz IACMDKBONOWKPN-GDBMZVCRSA-N 1 0 401.438 3.949 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000539085997 1007374391 /nfs/dbraw/zinc/37/43/91/1007374391.db2.gz CMBXHKMQJSDZAY-LJQANCHMSA-N 1 0 410.518 3.683 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539090293 1007378601 /nfs/dbraw/zinc/37/86/01/1007378601.db2.gz LTWFUCDRQRPJBG-JLCFBVMHSA-N 1 0 411.458 3.824 20 5 HHBDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000539119279 1007407688 /nfs/dbraw/zinc/40/76/88/1007407688.db2.gz ACVKMRCMIVJOLS-GJZGRUSLSA-N 1 0 401.463 3.988 20 5 HHBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CC[NH+](CC4CC4)CC3)cc2[N+](=O)[O-])C1 ZINC000517102546 1007414937 /nfs/dbraw/zinc/41/49/37/1007414937.db2.gz NMYBFCXCPVAKSF-IRXDYDNUSA-N 1 0 414.550 3.681 20 5 HHBDRO CN(C(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000533062342 1007424850 /nfs/dbraw/zinc/42/48/50/1007424850.db2.gz HLSYQKVSQJOVNV-UHFFFAOYSA-N 1 0 420.307 3.931 20 5 HHBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccccc1C[NH+]1CCCCC1 ZINC000535460561 1007523668 /nfs/dbraw/zinc/52/36/68/1007523668.db2.gz ZDAWAMHVSUPQEA-UHFFFAOYSA-N 1 0 406.486 3.921 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000539266920 1007562421 /nfs/dbraw/zinc/56/24/21/1007562421.db2.gz GAJITOOXKOYZQB-HNNXBMFYSA-N 1 0 401.463 3.990 20 5 HHBDRO C[N@@H+]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H]1c1ccc(Cl)cc1 ZINC000535542670 1007583140 /nfs/dbraw/zinc/58/31/40/1007583140.db2.gz OQUJYWDZVDSKFL-MGPUTAFESA-N 1 0 400.866 3.990 20 5 HHBDRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000539288168 1007584718 /nfs/dbraw/zinc/58/47/18/1007584718.db2.gz CNLNERBLZUFJCM-GFCCVEGCSA-N 1 0 407.854 3.863 20 5 HHBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000533295815 1007611687 /nfs/dbraw/zinc/61/16/87/1007611687.db2.gz TTZGFESLNXCAFG-HXUWFJFHSA-N 1 0 420.469 3.920 20 5 HHBDRO Cc1cccc(C)c1OC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000539325928 1007624719 /nfs/dbraw/zinc/62/47/19/1007624719.db2.gz SBPQMTLNCYDDNY-NRFANRHFSA-N 1 0 407.470 3.783 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000535672625 1007692917 /nfs/dbraw/zinc/69/29/17/1007692917.db2.gz WXCXRUNTYKTWOY-FOIQADDNSA-N 1 0 405.857 3.739 20 5 HHBDRO CCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000533407070 1007717343 /nfs/dbraw/zinc/71/73/43/1007717343.db2.gz FSVIQAOFHFMUOH-QUCCMNQESA-N 1 0 410.518 3.999 20 5 HHBDRO CC1(C)C[N@@H+](C2(CNC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CCCCC2)CCO1 ZINC000535694129 1007729995 /nfs/dbraw/zinc/72/99/95/1007729995.db2.gz KCVRHZSVGXSZCM-UHFFFAOYSA-N 1 0 414.506 3.620 20 5 HHBDRO C[C@@H]1CN(CC[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCO1 ZINC000517547806 1007763600 /nfs/dbraw/zinc/76/36/00/1007763600.db2.gz RUOZTCQELJZBCI-OAHLLOKOSA-N 1 0 405.882 3.851 20 5 HHBDRO C[C@@H]1COCCN1CC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000517547681 1007763793 /nfs/dbraw/zinc/76/37/93/1007763793.db2.gz IZDWBIIQOWGUNY-OAHLLOKOSA-N 1 0 405.882 3.851 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000533471713 1007780865 /nfs/dbraw/zinc/78/08/65/1007780865.db2.gz HENRVAPTDIOLRH-NRFANRHFSA-N 1 0 404.426 3.667 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539491767 1007803216 /nfs/dbraw/zinc/80/32/16/1007803216.db2.gz BUXULXIIJOAPEJ-JOCHJYFZSA-N 1 0 411.458 3.744 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539493164 1007804480 /nfs/dbraw/zinc/80/44/80/1007804480.db2.gz OVLIGEWJWCQALV-JOCHJYFZSA-N 1 0 411.458 3.744 20 5 HHBDRO O=C1[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCN1c1ccc(OC(F)F)cc1 ZINC000539499359 1007810934 /nfs/dbraw/zinc/81/09/34/1007810934.db2.gz PGJANIVWRHKFEJ-VDNIUXDYSA-N 1 0 417.412 3.995 20 5 HHBDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000539510947 1007821412 /nfs/dbraw/zinc/82/14/12/1007821412.db2.gz UZJXPYXRAGSCPP-UTKZUKDTSA-N 1 0 405.502 3.920 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000517871832 1008022823 /nfs/dbraw/zinc/02/28/23/1008022823.db2.gz TZXJAEQHISJTFB-NRFANRHFSA-N 1 0 411.502 3.806 20 5 HHBDRO Cc1cc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535986250 1008025270 /nfs/dbraw/zinc/02/52/70/1008025270.db2.gz BNFACCYVMKIAPW-QGZVFWFLSA-N 1 0 418.501 3.815 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539821104 1008114640 /nfs/dbraw/zinc/11/46/40/1008114640.db2.gz IOZFOUVYTNGIPA-GOSISDBHSA-N 1 0 418.412 3.937 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+](CC4CCOCC4)CC3)s2)cc1 ZINC000539827961 1008121429 /nfs/dbraw/zinc/12/14/29/1008121429.db2.gz VLUSUZIHEHOEPB-UHFFFAOYSA-N 1 0 401.532 3.868 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000539828146 1008121679 /nfs/dbraw/zinc/12/16/79/1008121679.db2.gz CBPZTLWDKKLHSL-INIZCTEOSA-N 1 0 413.474 3.698 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539898213 1008171365 /nfs/dbraw/zinc/17/13/65/1008171365.db2.gz NGLZCXZDJVNZQE-UONOGXRCSA-N 1 0 418.412 3.793 20 5 HHBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000539931957 1008190841 /nfs/dbraw/zinc/19/08/41/1008190841.db2.gz OXJZMTFKOMNCBT-FQEVSTJZSA-N 1 0 417.893 3.753 20 5 HHBDRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000540167088 1008319438 /nfs/dbraw/zinc/31/94/38/1008319438.db2.gz KZLXHCBCDMIAIA-CQSZACIVSA-N 1 0 423.560 3.788 20 5 HHBDRO COc1ccc(Br)c(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000540169735 1008320390 /nfs/dbraw/zinc/32/03/90/1008320390.db2.gz SNIJADHXNVMBSS-LBPRGKRZSA-N 1 0 422.279 3.873 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000540192112 1008329582 /nfs/dbraw/zinc/32/95/82/1008329582.db2.gz ZANJCXFEQSSYFU-AWEZNQCLSA-N 1 0 418.881 3.974 20 5 HHBDRO CC(C)(C)Oc1cc(N2CC[NH+](CCCOCC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000540298963 1008371920 /nfs/dbraw/zinc/37/19/20/1008371920.db2.gz CDEIJFOSVACCCX-UHFFFAOYSA-N 1 0 419.444 3.863 20 5 HHBDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000540328304 1008382091 /nfs/dbraw/zinc/38/20/91/1008382091.db2.gz UNVYMQYEUZJUSQ-ZIAGYGMSSA-N 1 0 417.462 3.607 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1OC ZINC000540365266 1008401488 /nfs/dbraw/zinc/40/14/88/1008401488.db2.gz JRJBSZPUZCKBMH-CQSZACIVSA-N 1 0 415.446 3.651 20 5 HHBDRO CC(C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(F)c1 ZINC000540411167 1008421487 /nfs/dbraw/zinc/42/14/87/1008421487.db2.gz LTWAEBPQUCKCHT-UHFFFAOYSA-N 1 0 410.243 3.960 20 5 HHBDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1)C[C@@H]1CCCCO1 ZINC000540420115 1008425311 /nfs/dbraw/zinc/42/53/11/1008425311.db2.gz YFSBYKANCMNTMV-SFHVURJKSA-N 1 0 400.479 3.955 20 5 HHBDRO CC(C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1Br ZINC000540423600 1008427092 /nfs/dbraw/zinc/42/70/92/1008427092.db2.gz CMSOLDQSQIOGOD-CQSZACIVSA-N 1 0 409.280 3.622 20 5 HHBDRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000540466720 1008442143 /nfs/dbraw/zinc/44/21/43/1008442143.db2.gz HACFMPMEYIVVJJ-UONOGXRCSA-N 1 0 411.437 3.906 20 5 HHBDRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000540466749 1008442183 /nfs/dbraw/zinc/44/21/83/1008442183.db2.gz HACFMPMEYIVVJJ-ZIAGYGMSSA-N 1 0 411.437 3.906 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000540471126 1008444789 /nfs/dbraw/zinc/44/47/89/1008444789.db2.gz DLALNAHZOCGQQF-UHFFFAOYSA-N 1 0 409.552 3.668 20 5 HHBDRO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000540475153 1008446241 /nfs/dbraw/zinc/44/62/41/1008446241.db2.gz FSQKSZVQYPIHKC-HXUWFJFHSA-N 1 0 424.545 3.597 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000540477014 1008446960 /nfs/dbraw/zinc/44/69/60/1008446960.db2.gz WLKWVBVZHQSLQY-AWEZNQCLSA-N 1 0 407.417 3.814 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000518876727 1008456204 /nfs/dbraw/zinc/45/62/04/1008456204.db2.gz ZGCLPWRJFQDYTG-CZUORRHYSA-N 1 0 407.854 3.562 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(C(F)(F)F)cc1 ZINC000518890771 1008461103 /nfs/dbraw/zinc/46/11/03/1008461103.db2.gz FLZIXWXLAMIYMI-KRWDZBQOSA-N 1 0 412.412 3.765 20 5 HHBDRO O=C(NCCCCC[NH+]1CCCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000518923051 1008474049 /nfs/dbraw/zinc/47/40/49/1008474049.db2.gz AUBQXHXPSBQATM-UHFFFAOYSA-N 1 0 402.539 3.584 20 5 HHBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000549105665 1008670056 /nfs/dbraw/zinc/67/00/56/1008670056.db2.gz FANFWTPERJIGHX-YLJYHZDGSA-N 1 0 416.547 3.923 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(CCCn2ccnc2)CC1 ZINC000543096998 1008671252 /nfs/dbraw/zinc/67/12/52/1008671252.db2.gz HEMXEGNGVCHUDP-HNNXBMFYSA-N 1 0 420.897 3.931 20 5 HHBDRO COc1cc(-c2noc(/C=C/c3ccccc3[N+](=O)[O-])n2)ccc1OCC[NH+](C)C ZINC000545577471 1008677717 /nfs/dbraw/zinc/67/77/17/1008677717.db2.gz MCALGBDNQXCZAC-PKNBQFBNSA-N 1 0 410.430 3.764 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000543184238 1008758853 /nfs/dbraw/zinc/75/88/53/1008758853.db2.gz ZLHBHVSAGXGDGW-GJZGRUSLSA-N 1 0 402.344 3.757 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000543208038 1008778183 /nfs/dbraw/zinc/77/81/83/1008778183.db2.gz JVVLWSSIRGEURG-KRWDZBQOSA-N 1 0 413.449 3.835 20 5 HHBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1 ZINC000545710708 1008805316 /nfs/dbraw/zinc/80/53/16/1008805316.db2.gz VWWNMRHTQAVKNX-FOCLMDBBSA-N 1 0 405.458 3.957 20 5 HHBDRO C[N@@H+]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000543312729 1008891885 /nfs/dbraw/zinc/89/18/85/1008891885.db2.gz KUAHZZHRAKELRG-HOTGVXAUSA-N 1 0 405.907 3.554 20 5 HHBDRO CSc1ccc([C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000519562153 1008905926 /nfs/dbraw/zinc/90/59/26/1008905926.db2.gz YNJOCXCVRILPGF-QRWLVFNGSA-N 1 0 416.547 3.926 20 5 HHBDRO Cc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549526882 1009137349 /nfs/dbraw/zinc/13/73/49/1009137349.db2.gz YFCFFAGWFOHJAA-XYPWUTKMSA-N 1 0 412.456 3.669 20 5 HHBDRO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543550092 1009152629 /nfs/dbraw/zinc/15/26/29/1009152629.db2.gz GDZYGHSAPQHXMM-GJZGRUSLSA-N 1 0 405.495 3.927 20 5 HHBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000520026475 1009180222 /nfs/dbraw/zinc/18/02/22/1009180222.db2.gz AOAFZRVOAORRGQ-UHFFFAOYSA-N 1 0 405.458 3.671 20 5 HHBDRO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546183374 1009212727 /nfs/dbraw/zinc/21/27/27/1009212727.db2.gz CVFMILBUWINMGU-IBGZPJMESA-N 1 0 401.894 3.914 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1-c1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000546305216 1009322403 /nfs/dbraw/zinc/32/24/03/1009322403.db2.gz MHASHMLEVOUXFG-UHFFFAOYSA-N 1 0 422.445 3.909 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC000520208835 1009343538 /nfs/dbraw/zinc/34/35/38/1009343538.db2.gz QCOCWEOBVKCPMY-FQEVSTJZSA-N 1 0 407.470 3.892 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000543785373 1009355362 /nfs/dbraw/zinc/35/53/62/1009355362.db2.gz TVYRRFHXNOEPJN-BBRMVZONSA-N 1 0 405.401 3.589 20 5 HHBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543797077 1009364497 /nfs/dbraw/zinc/36/44/97/1009364497.db2.gz KWIXMKCIQMJBHV-CQSZACIVSA-N 1 0 411.430 3.825 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000520246019 1009365370 /nfs/dbraw/zinc/36/53/70/1009365370.db2.gz CPACVMFGMVLMRA-SFHVURJKSA-N 1 0 407.474 3.598 20 5 HHBDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)[C@H]2C ZINC000543806368 1009369046 /nfs/dbraw/zinc/36/90/46/1009369046.db2.gz BCDYOPUVSPSPPS-CABCVRRESA-N 1 0 411.458 3.909 20 5 HHBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000543844351 1009409633 /nfs/dbraw/zinc/40/96/33/1009409633.db2.gz OBSVGTAKKQQCIU-MSOLQXFVSA-N 1 0 405.539 3.946 20 5 HHBDRO O=[N+]([O-])c1cc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cs1 ZINC000549868539 1009489364 /nfs/dbraw/zinc/48/93/64/1009489364.db2.gz YSZUDHYGSASYTG-LJQANCHMSA-N 1 0 401.532 3.675 20 5 HHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000549927808 1009542695 /nfs/dbraw/zinc/54/26/95/1009542695.db2.gz FEGXCAZXCDVXME-IBGZPJMESA-N 1 0 409.408 3.777 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000544086939 1009695420 /nfs/dbraw/zinc/69/54/20/1009695420.db2.gz PBFOSIPUXIVWSL-IAGOWNOFSA-N 1 0 413.543 3.960 20 5 HHBDRO C[NH+](C)CC1(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000546785122 1009750977 /nfs/dbraw/zinc/75/09/77/1009750977.db2.gz LXBRHKXRSMVMTE-UHFFFAOYSA-N 1 0 419.469 3.944 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000550264971 1009816533 /nfs/dbraw/zinc/81/65/33/1009816533.db2.gz UPZNMFYCLNMHRL-MRXNPFEDSA-N 1 0 420.307 3.568 20 5 HHBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000544272694 1009889238 /nfs/dbraw/zinc/88/92/38/1009889238.db2.gz JSIVEHFWPRWAMI-XJKSGUPXSA-N 1 0 409.939 3.816 20 5 HHBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cnn1-c1ccc(F)cc1 ZINC000544433082 1010057420 /nfs/dbraw/zinc/05/74/20/1010057420.db2.gz MPLVYCZFXZZCQS-SZNDQCEHSA-N 1 0 423.448 3.684 20 5 HHBDRO CCCC[NH+]1CCC(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000521039214 1010068767 /nfs/dbraw/zinc/06/87/67/1010068767.db2.gz UVBLGMLGPBHURM-KRWDZBQOSA-N 1 0 402.539 3.825 20 5 HHBDRO Cc1sc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc1-c1ccc(Cl)cc1 ZINC000544471616 1010095098 /nfs/dbraw/zinc/09/50/98/1010095098.db2.gz XAGFWMMNQYTBCN-BDJLRTHQSA-N 1 0 421.910 3.588 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000544574357 1010203004 /nfs/dbraw/zinc/20/30/04/1010203004.db2.gz RZVUKAPKNSQMLO-OALUTQOASA-N 1 0 408.907 3.948 20 5 HHBDRO CSc1ccc(-c2nc(-c3cccc(OCC[NH+](C)C)c3)no2)cc1[N+](=O)[O-] ZINC000544577211 1010205424 /nfs/dbraw/zinc/20/54/24/1010205424.db2.gz PEEZPYZIEXLNJQ-UHFFFAOYSA-N 1 0 400.460 3.974 20 5 HHBDRO COc1cc(C[NH2+]C[C@H](C)c2nc(C)cs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000544597301 1010223526 /nfs/dbraw/zinc/22/35/26/1010223526.db2.gz ZKPTVMXPMCPKGN-JTQLQIEISA-N 1 0 401.435 3.906 20 5 HHBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000544622053 1010245992 /nfs/dbraw/zinc/24/59/92/1010245992.db2.gz PRWJGMZXVVCRHP-PMACEKPBSA-N 1 0 421.517 3.535 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000521259687 1010263284 /nfs/dbraw/zinc/26/32/84/1010263284.db2.gz UGEGNORSLLWIFV-WSTZPKSXSA-N 1 0 414.550 3.675 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000521277974 1010272973 /nfs/dbraw/zinc/27/29/73/1010272973.db2.gz FGUOXUPMGJSMEI-AWEZNQCLSA-N 1 0 421.881 3.732 20 5 HHBDRO Cc1cc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc([N+](=O)[O-])c1 ZINC000521300830 1010288859 /nfs/dbraw/zinc/28/88/59/1010288859.db2.gz RVUIUWGPZNOFKI-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000550998253 1010307453 /nfs/dbraw/zinc/30/74/53/1010307453.db2.gz VVZLQLVWMSWWGC-KRWDZBQOSA-N 1 0 414.481 3.577 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000521461823 1010385742 /nfs/dbraw/zinc/38/57/42/1010385742.db2.gz LBCBIIHRXQRUAS-AWEZNQCLSA-N 1 0 412.393 3.994 20 5 HHBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544894156 1010471170 /nfs/dbraw/zinc/47/11/70/1010471170.db2.gz RPSGBUMWOULVAR-NRFANRHFSA-N 1 0 410.518 3.828 20 5 HHBDRO CC(C)([C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000548274053 1010576322 /nfs/dbraw/zinc/57/63/22/1010576322.db2.gz UJQVXZGYYNPSTE-SFHVURJKSA-N 1 0 404.417 3.614 20 5 HHBDRO CC(C)(CS(C)(=O)=O)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000545164532 1010661585 /nfs/dbraw/zinc/66/15/85/1010661585.db2.gz KIFDVYDXXSWXMJ-UHFFFAOYSA-N 1 0 412.895 3.953 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000521957153 1010735610 /nfs/dbraw/zinc/73/56/10/1010735610.db2.gz UIUCPLWEXUCGTR-GJZGRUSLSA-N 1 0 405.882 3.652 20 5 HHBDRO CC(C)C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000545354086 1010746752 /nfs/dbraw/zinc/74/67/52/1010746752.db2.gz TXPONMNOFMBHPQ-XLIONFOSSA-N 1 0 419.547 3.780 20 5 HHBDRO COc1ccc(CSCC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000522353515 1010951237 /nfs/dbraw/zinc/95/12/37/1010951237.db2.gz BMFSYHDMXPCGMM-UHFFFAOYSA-N 1 0 421.563 3.560 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)[C@@H](C)C1 ZINC000522433272 1011008361 /nfs/dbraw/zinc/00/83/61/1011008361.db2.gz QLMDDRGRAKEPSV-RXVVDRJESA-N 1 0 420.554 3.652 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000522583765 1011093007 /nfs/dbraw/zinc/09/30/07/1011093007.db2.gz UIBYYCRFGPCURS-QGZVFWFLSA-N 1 0 409.845 3.575 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522731763 1011182925 /nfs/dbraw/zinc/18/29/25/1011182925.db2.gz FMBGJNZWBAPETG-SUMWQHHRSA-N 1 0 410.396 3.755 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H](CO)Cc3ccc(F)cc3)cs2)c1 ZINC000540570637 1011229048 /nfs/dbraw/zinc/22/90/48/1011229048.db2.gz GTYOXMHCUREDOV-OAHLLOKOSA-N 1 0 401.463 3.798 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536172490 1011305097 /nfs/dbraw/zinc/30/50/97/1011305097.db2.gz GFHQLWCARNVXSU-HRAATJIYSA-N 1 0 406.486 3.645 20 5 HHBDRO COc1cc(C[NH2+]CCc2nc3ccccc3n2C(F)F)c([N+](=O)[O-])cc1OC ZINC000540809384 1011471009 /nfs/dbraw/zinc/47/10/09/1011471009.db2.gz HRNMZRCLZAGPIQ-UHFFFAOYSA-N 1 0 406.389 3.689 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000541026788 1011661373 /nfs/dbraw/zinc/66/13/73/1011661373.db2.gz GEHBWVHUFFWSOL-OAHLLOKOSA-N 1 0 423.473 3.777 20 5 HHBDRO C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541026260 1011661511 /nfs/dbraw/zinc/66/15/11/1011661511.db2.gz WRODSRFEWFZGDJ-PBHICJAKSA-N 1 0 419.428 3.837 20 5 HHBDRO COc1ccc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1[N+](=O)[O-] ZINC000536475247 1011691490 /nfs/dbraw/zinc/69/14/90/1011691490.db2.gz COYUHDOVXIHLMO-UHFFFAOYSA-N 1 0 409.486 3.732 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000536583941 1011746401 /nfs/dbraw/zinc/74/64/01/1011746401.db2.gz DPLUNJKWFGLYQQ-UHFFFAOYSA-N 1 0 402.539 3.681 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CCN(C)[C@H](C)[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000536587907 1011749940 /nfs/dbraw/zinc/74/99/40/1011749940.db2.gz CZUMABZCIWAWBO-OLZOCXBDSA-N 1 0 406.533 3.676 20 5 HHBDRO CCOc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000536659435 1011807917 /nfs/dbraw/zinc/80/79/17/1011807917.db2.gz CXPFMGRXWYWAKA-JKSUJKDBSA-N 1 0 402.495 3.808 20 5 HHBDRO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)CC1 ZINC000536708686 1011881048 /nfs/dbraw/zinc/88/10/48/1011881048.db2.gz NNOBIESMPPCSLM-UHFFFAOYSA-N 1 0 412.534 3.845 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000536713153 1011886175 /nfs/dbraw/zinc/88/61/75/1011886175.db2.gz IUBDPVFNQYIMCI-UHFFFAOYSA-N 1 0 423.469 3.792 20 5 HHBDRO COc1cccc([C@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000536754900 1011946064 /nfs/dbraw/zinc/94/60/64/1011946064.db2.gz DFURRRPNVMJXAM-FQEVSTJZSA-N 1 0 420.469 3.698 20 5 HHBDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000541314099 1012021449 /nfs/dbraw/zinc/02/14/49/1012021449.db2.gz YXVXBMJGFQIGCB-BEFAXECRSA-N 1 0 411.458 3.985 20 5 HHBDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000536846306 1012075670 /nfs/dbraw/zinc/07/56/70/1012075670.db2.gz QHHXIEDURHNFSH-LZJOCLMNSA-N 1 0 406.486 3.694 20 5 HHBDRO CC1CC[NH+]([C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000523565172 1012103538 /nfs/dbraw/zinc/10/35/38/1012103538.db2.gz MZEHMWLAOWFWAW-GOSISDBHSA-N 1 0 402.520 3.929 20 5 HHBDRO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000552096506 1012113192 /nfs/dbraw/zinc/11/31/92/1012113192.db2.gz CNRJILFVQVMJLZ-OXJNMPFZSA-N 1 0 407.470 3.582 20 5 HHBDRO C[NH+](C)Cc1ccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000541468649 1012233245 /nfs/dbraw/zinc/23/32/45/1012233245.db2.gz NFBIMEVLVJQYGA-UHFFFAOYSA-N 1 0 411.886 3.857 20 5 HHBDRO COc1ccc(C[C@H](C)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000552275211 1012289639 /nfs/dbraw/zinc/28/96/39/1012289639.db2.gz OGIFEYUOXYQUKP-KSFYIVLOSA-N 1 0 424.501 3.903 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(Cc2ccccn2)C1=O ZINC000541568101 1012358293 /nfs/dbraw/zinc/35/82/93/1012358293.db2.gz CFQJOXINZBITQQ-WMZOPIPTSA-N 1 0 414.531 3.641 20 5 HHBDRO Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000541579724 1012371216 /nfs/dbraw/zinc/37/12/16/1012371216.db2.gz ZAIJKLIRFJKICY-QGZVFWFLSA-N 1 0 420.893 3.840 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000523757349 1012383972 /nfs/dbraw/zinc/38/39/72/1012383972.db2.gz GEZTVBFHDHOING-MJGOQNOKSA-N 1 0 417.531 3.749 20 5 HHBDRO COc1ccc2oc([C@H](C)[NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)c(C)c2c1 ZINC000541652562 1012475842 /nfs/dbraw/zinc/47/58/42/1012475842.db2.gz XPXBQVDMTIEDIT-GOEBONIOSA-N 1 0 400.431 3.749 20 5 HHBDRO CN(C(=O)C[NH2+][C@H](COc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000537116751 1012494375 /nfs/dbraw/zinc/49/43/75/1012494375.db2.gz VOGUUVXGRUQPPW-JOCHJYFZSA-N 1 0 405.454 3.968 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(OCC2CC2)c(F)c1 ZINC000537122942 1012504874 /nfs/dbraw/zinc/50/48/74/1012504874.db2.gz VURHNCRFTFIUEY-CQSZACIVSA-N 1 0 413.449 3.763 20 5 HHBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000537123658 1012506962 /nfs/dbraw/zinc/50/69/62/1012506962.db2.gz BESMWSVNTNMBGO-VLIAUNLRSA-N 1 0 413.449 3.979 20 5 HHBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000523870640 1012567745 /nfs/dbraw/zinc/56/77/45/1012567745.db2.gz DHXFNIRNAWDTLR-KRWDZBQOSA-N 1 0 423.448 3.975 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)C2)nc1 ZINC000541773352 1012639939 /nfs/dbraw/zinc/63/99/39/1012639939.db2.gz XRSBNVDBKJXKBJ-ZDUSSCGKSA-N 1 0 414.359 3.756 20 5 HHBDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1 ZINC000537222375 1012649445 /nfs/dbraw/zinc/64/94/45/1012649445.db2.gz XQUUXYSFZHHDMX-GIQGCJHYSA-N 1 0 417.849 3.902 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])s1 ZINC000537300879 1012757335 /nfs/dbraw/zinc/75/73/35/1012757335.db2.gz OWWRVDZXZUJOIB-VQHVLOKHSA-N 1 0 423.560 3.532 20 5 HHBDRO Cn1cc(C[NH2+]CCc2nc(-c3ccncc3)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537314520 1012773428 /nfs/dbraw/zinc/77/34/28/1012773428.db2.gz CKNUVVGBAIGBRQ-UHFFFAOYSA-N 1 0 420.498 3.846 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541952637 1012813545 /nfs/dbraw/zinc/81/35/45/1012813545.db2.gz TUVQZOXDRFDJJD-QGZVFWFLSA-N 1 0 411.380 3.574 20 5 HHBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000552816438 1012824853 /nfs/dbraw/zinc/82/48/53/1012824853.db2.gz QCHJKRAONNZSBJ-LIRRHRJNSA-N 1 0 403.504 3.503 20 5 HHBDRO C[N@H+](CCOc1cccc(CNc2ccc([N+](=O)[O-])cc2F)c1)C1CCOCC1 ZINC000524124201 1012902117 /nfs/dbraw/zinc/90/21/17/1012902117.db2.gz KKQBITMRNXBBSN-UHFFFAOYSA-N 1 0 403.454 3.836 20 5 HHBDRO Cc1cc(C(=O)NCC(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000542079362 1013001672 /nfs/dbraw/zinc/00/16/72/1013001672.db2.gz KNWYAFJYKKJURM-KRWDZBQOSA-N 1 0 424.501 3.646 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684433 1071802158 /nfs/dbraw/zinc/80/21/58/1071802158.db2.gz PMGKBGLJVQEEFY-MJGOQNOKSA-N 1 0 417.893 3.993 20 5 HHBDRO O=[N+]([O-])c1cc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1Oc1ccccc1Cl ZINC000729683799 1071806972 /nfs/dbraw/zinc/80/69/72/1071806972.db2.gz BKESFDZHMQSIAY-IAGOWNOFSA-N 1 0 417.893 3.993 20 5 HHBDRO COc1cc(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)c([N+](=O)[O-])cc1OC(F)F ZINC000904623933 1071817485 /nfs/dbraw/zinc/81/74/85/1071817485.db2.gz FZOQONLPRKLYOH-UHFFFAOYSA-N 1 0 420.372 3.983 20 5 HHBDRO CCc1ccc([C@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[NH+](CC)CC)cc1 ZINC001212022021 1071902976 /nfs/dbraw/zinc/90/29/76/1071902976.db2.gz ZDFWKDBOWASQMN-SFHVURJKSA-N 1 0 423.510 3.658 20 5 HHBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@@H]4CCCCN4[C@H]4CC[NH2+]C4)n3)nc12 ZINC001212100158 1072085908 /nfs/dbraw/zinc/08/59/08/1072085908.db2.gz ASLYCYGOIUJNLI-HKUYNNGSSA-N 1 0 400.486 3.722 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[NH+]2CCCC2)c1 ZINC000911903261 1072222636 /nfs/dbraw/zinc/22/26/36/1072222636.db2.gz RBWQHCRMXALDCF-LJQANCHMSA-N 1 0 403.866 3.824 20 5 HHBDRO CC[NH+](CC)CCOC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000912578566 1072248462 /nfs/dbraw/zinc/24/84/62/1072248462.db2.gz YYNQCRHSGGDRCM-UHFFFAOYSA-N 1 0 404.850 3.978 20 5 HHBDRO C[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571069497 1072551146 /nfs/dbraw/zinc/55/11/46/1072551146.db2.gz FLEPWMWRLGHAMH-KDOFPFPSSA-N 1 0 423.307 3.708 20 5 HHBDRO COc1ccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000571068969 1072551530 /nfs/dbraw/zinc/55/15/30/1072551530.db2.gz UBUADANKZHPGQB-IBGZPJMESA-N 1 0 422.485 3.905 20 5 HHBDRO Cc1nc(COc2ccc(C[NH2+]CCc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)no1 ZINC000571955031 1072954261 /nfs/dbraw/zinc/95/42/61/1072954261.db2.gz WQVWMWAVRXGECS-UHFFFAOYSA-N 1 0 407.430 3.679 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC4(CCOCC4)[C@H]3O)s2)cc1 ZINC000554936409 1072969062 /nfs/dbraw/zinc/96/90/62/1072969062.db2.gz QIRWCPPYFIWRPO-JXFKEZNVSA-N 1 0 402.516 3.981 20 5 HHBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590442064 1073836281 /nfs/dbraw/zinc/83/62/81/1073836281.db2.gz GCQVZAZNXFEEHS-KBXCAEBGSA-N 1 0 401.850 3.817 20 5 HHBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590445872 1073838595 /nfs/dbraw/zinc/83/85/95/1073838595.db2.gz SOEIKQVMCJUHDW-OXJNMPFZSA-N 1 0 414.893 3.636 20 5 HHBDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000573333554 1074360942 /nfs/dbraw/zinc/36/09/42/1074360942.db2.gz UOJLICCIOCITHY-AYHJJNSGSA-N 1 0 407.474 3.936 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)CC(C)C ZINC000760839499 1074390807 /nfs/dbraw/zinc/39/08/07/1074390807.db2.gz YEBVBWNOLOXKJE-CYBMUJFWSA-N 1 0 400.317 3.844 20 5 HHBDRO O=C1[C@@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCN1Cc1ccccc1 ZINC000760842380 1074407329 /nfs/dbraw/zinc/40/73/29/1074407329.db2.gz XHLVQJLAADKMLL-QFIPXVFZSA-N 1 0 409.486 3.629 20 5 HHBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164621840 719060017 /nfs/dbraw/zinc/06/00/17/719060017.db2.gz HXXZVUDOAIMSCE-HUUCEWRRSA-N 1 0 419.938 3.861 20 5 HHBDRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164733987 720544398 /nfs/dbraw/zinc/54/43/98/720544398.db2.gz FIQSWCKWMQLQFD-CYBMUJFWSA-N 1 0 418.872 3.704 20 5 HHBDRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843629 720646062 /nfs/dbraw/zinc/64/60/62/720646062.db2.gz WOXKQFDKKMLCOL-KAGYGMCKSA-N 1 0 420.517 3.717 20 5 HHBDRO O=[N+]([O-])c1cccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)ccc21 ZINC001164911037 721530913 /nfs/dbraw/zinc/53/09/13/721530913.db2.gz VGEXDXZFYKXDSO-AEFFLSMTSA-N 1 0 408.433 3.624 20 5 HHBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164908055 721566292 /nfs/dbraw/zinc/56/62/92/721566292.db2.gz PQASBACUNGXVGD-ICSRJNTNSA-N 1 0 408.433 3.624 20 5 HHBDRO Cc1c(C)c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164908774 721710101 /nfs/dbraw/zinc/71/01/01/721710101.db2.gz ZBEJPTXGLLWTDQ-FQEVSTJZSA-N 1 0 417.460 3.739 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC001165028105 721810079 /nfs/dbraw/zinc/81/00/79/721810079.db2.gz WCVXULWOXDTJJZ-SAWYMBPVSA-N 1 0 418.501 3.670 20 5 HHBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c21 ZINC001164994268 722211881 /nfs/dbraw/zinc/21/18/81/722211881.db2.gz AAMOPBWIFGZATF-JOCHJYFZSA-N 1 0 407.449 3.922 20 5 HHBDRO C[NH+](C)C1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2F)CC1 ZINC000301149529 970772646 /nfs/dbraw/zinc/77/26/46/970772646.db2.gz JEEDMFIUJIGEGF-UHFFFAOYSA-N 1 0 403.414 3.916 20 5 HHBDRO C[NH+](C)[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccccc1 ZINC000301186010 970794862 /nfs/dbraw/zinc/79/48/62/970794862.db2.gz PJCRSCGSCQRKEQ-SFHVURJKSA-N 1 0 413.865 3.509 20 5 HHBDRO Cc1nn(C)c(N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)c1[N+](=O)[O-] ZINC000301296427 970855757 /nfs/dbraw/zinc/85/57/57/970855757.db2.gz SIYDYHIICMENLT-UHFFFAOYSA-N 1 0 411.428 3.756 20 5 HHBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000301402443 970910494 /nfs/dbraw/zinc/91/04/94/970910494.db2.gz CYBCJLWKMGDZDS-DJJJIMSYSA-N 1 0 420.491 3.860 20 5 HHBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(Br)c1 ZINC000301513679 970963310 /nfs/dbraw/zinc/96/33/10/970963310.db2.gz DTHAKAUGMCLPST-UHFFFAOYSA-N 1 0 409.259 3.968 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301764896 971057686 /nfs/dbraw/zinc/05/76/86/971057686.db2.gz GXBXKQIXWZKCBD-SMDDNHRTSA-N 1 0 414.384 3.975 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301811227 971072948 /nfs/dbraw/zinc/07/29/48/971072948.db2.gz XXUQCGPEDSHZLF-GFCCVEGCSA-N 1 0 406.284 3.785 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1 ZINC000301857568 971087842 /nfs/dbraw/zinc/08/78/42/971087842.db2.gz CLFVLEPKCJFYFE-MRXNPFEDSA-N 1 0 417.531 3.985 20 5 HHBDRO O=[N+]([O-])c1cnc2ccc(NC[C@H](c3ccccc3)[N@@H+]3CCc4sccc4C3)nn21 ZINC000301872590 971094123 /nfs/dbraw/zinc/09/41/23/971094123.db2.gz DGUYMVYNPPZUSS-QGZVFWFLSA-N 1 0 420.498 3.911 20 5 HHBDRO CS(=O)(=O)c1cccc(NCc2ccccc2C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000301898260 971105205 /nfs/dbraw/zinc/10/52/05/971105205.db2.gz RXMBIZYNXTXHIS-UHFFFAOYSA-N 1 0 417.531 3.986 20 5 HHBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000302025030 971154514 /nfs/dbraw/zinc/15/45/14/971154514.db2.gz KDGBVDKIHJLTNI-UYAOXDASSA-N 1 0 418.444 3.869 20 5 HHBDRO CC(C)NC(=O)c1ccc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000302073271 971169570 /nfs/dbraw/zinc/16/95/70/971169570.db2.gz VEXPNJVGZXZQJY-QZTJIDSGSA-N 1 0 402.539 3.824 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccc(F)c1 ZINC000524253344 1013063391 /nfs/dbraw/zinc/06/33/91/1013063391.db2.gz MIZPMRGYZDKYIM-MRXNPFEDSA-N 1 0 410.243 3.529 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000303125096 971515819 /nfs/dbraw/zinc/51/58/19/971515819.db2.gz NCXWYMXCDAZRRW-HXUWFJFHSA-N 1 0 419.909 3.810 20 5 HHBDRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000303326951 971632732 /nfs/dbraw/zinc/63/27/32/971632732.db2.gz BAAYGUCCZHZOID-ZDUSSCGKSA-N 1 0 411.911 3.656 20 5 HHBDRO CCC(CC)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[NH2+][C@@H](C)c1ccccc1 ZINC000303455747 971758213 /nfs/dbraw/zinc/75/82/13/971758213.db2.gz JVLVIHKEDABNFP-AWEZNQCLSA-N 1 0 402.470 3.956 20 5 HHBDRO C[C@H]1C[C@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303746135 971998887 /nfs/dbraw/zinc/99/88/87/971998887.db2.gz JZFICENWYWBWCV-PGRDOPGGSA-N 1 0 410.518 3.543 20 5 HHBDRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000542187042 1013128473 /nfs/dbraw/zinc/12/84/73/1013128473.db2.gz WXZXHBLRSJCNLR-CYBMUJFWSA-N 1 0 419.865 3.584 20 5 HHBDRO Cc1c[nH+]ccc1N1CCC(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000537592617 1013133671 /nfs/dbraw/zinc/13/36/71/1013133671.db2.gz GKWBIMPQOWZUQN-UHFFFAOYSA-N 1 0 402.882 3.527 20 5 HHBDRO COc1ccc([C@@H](C[NH+]2CCCC2)Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)cc1 ZINC000553182818 1013141461 /nfs/dbraw/zinc/14/14/61/1013141461.db2.gz YPYPRIXMWONILH-LJQANCHMSA-N 1 0 409.446 3.501 20 5 HHBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000524328267 1013149562 /nfs/dbraw/zinc/14/95/62/1013149562.db2.gz BLZZUWADLJYDON-KRWDZBQOSA-N 1 0 411.506 3.719 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+](C[C@@H]4CCOC4)CC3)o2)c(Cl)c1 ZINC000537619406 1013162476 /nfs/dbraw/zinc/16/24/76/1013162476.db2.gz BYSMMCIREARYTE-HNNXBMFYSA-N 1 0 405.882 3.662 20 5 HHBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000005089706 960650312 /nfs/dbraw/zinc/65/03/12/960650312.db2.gz GNCKKHHUZRWAPI-UHFFFAOYSA-N 1 0 402.882 3.951 20 5 HHBDRO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)CC1 ZINC000537659472 1013220349 /nfs/dbraw/zinc/22/03/49/1013220349.db2.gz UXVGCEKUSVUFGW-UHFFFAOYSA-N 1 0 412.534 3.845 20 5 HHBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000542328139 1013283326 /nfs/dbraw/zinc/28/33/26/1013283326.db2.gz IXUGFXLMVPKEHB-UHFFFAOYSA-N 1 0 419.934 3.905 20 5 HHBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000011652479 962153846 /nfs/dbraw/zinc/15/38/46/962153846.db2.gz BICGIWSKHMTFIC-HSZRJFAPSA-N 1 0 422.529 3.765 20 5 HHBDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 ZINC000015359633 962734728 /nfs/dbraw/zinc/73/47/28/962734728.db2.gz GRUQNTJLHCBFFN-UHFFFAOYSA-N 1 0 405.520 3.532 20 5 HHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015636350 962824456 /nfs/dbraw/zinc/82/44/56/962824456.db2.gz TZRSKJWWCDCGQY-UHFFFAOYSA-N 1 0 424.545 3.969 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000017516738 963206675 /nfs/dbraw/zinc/20/66/75/963206675.db2.gz WLCZACAYCHXHFA-IBGZPJMESA-N 1 0 402.520 3.973 20 5 HHBDRO COc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000025061388 964159600 /nfs/dbraw/zinc/15/96/00/964159600.db2.gz ULXQGXPDIFUPJH-UHFFFAOYSA-N 1 0 411.458 3.527 20 5 HHBDRO COc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000025061374 964159766 /nfs/dbraw/zinc/15/97/66/964159766.db2.gz OUYBMMZAMIPBHY-UHFFFAOYSA-N 1 0 411.458 3.527 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NC[C@H](C)[NH+]3CCCC3)cc2[N+](=O)[O-])n1 ZINC000050171394 964280861 /nfs/dbraw/zinc/28/08/61/964280861.db2.gz AGWQDYUIZDIKEW-ZDUSSCGKSA-N 1 0 406.533 3.725 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000026260519 964508446 /nfs/dbraw/zinc/50/84/46/964508446.db2.gz JDHQJIGHUSTUNE-MRXNPFEDSA-N 1 0 419.503 3.675 20 5 HHBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCCO1 ZINC000542562101 1013504317 /nfs/dbraw/zinc/50/43/17/1013504317.db2.gz GJVNULAJNCNONE-YLQAJVPDSA-N 1 0 404.492 3.593 20 5 HHBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000051468942 964583286 /nfs/dbraw/zinc/58/32/86/964583286.db2.gz HCRZLHHZJOKBTC-UHFFFAOYSA-N 1 0 400.504 3.666 20 5 HHBDRO COc1ccc2oc([C@H](C)[NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000542582182 1013523340 /nfs/dbraw/zinc/52/33/40/1013523340.db2.gz FCXDHYQOHMVZOR-LSDHHAIUSA-N 1 0 400.431 3.749 20 5 HHBDRO COc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC)[NH+]2CCCCC2)cc1 ZINC000027668351 964940196 /nfs/dbraw/zinc/94/01/96/964940196.db2.gz GQYJCEGGCVXQOH-FQEVSTJZSA-N 1 0 413.474 3.569 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC(C[NH+]3CCCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000052713739 964960264 /nfs/dbraw/zinc/96/02/64/964960264.db2.gz OTHKRYXYUIFXBJ-QGZVFWFLSA-N 1 0 418.538 3.518 20 5 HHBDRO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000053039008 965046014 /nfs/dbraw/zinc/04/60/14/965046014.db2.gz ZQVLGXBOMHZJQJ-UHFFFAOYSA-N 1 0 403.866 3.847 20 5 HHBDRO C[C@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000542607443 1013542724 /nfs/dbraw/zinc/54/27/24/1013542724.db2.gz MRASZOSCVCJAKM-AWEZNQCLSA-N 1 0 400.454 3.982 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000537969978 1013547781 /nfs/dbraw/zinc/54/77/81/1013547781.db2.gz AROGBJHDQGEFGD-QGZVFWFLSA-N 1 0 417.531 3.548 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000537972993 1013550182 /nfs/dbraw/zinc/55/01/82/1013550182.db2.gz NCAHKJOLOGCSQL-CYBMUJFWSA-N 1 0 419.865 3.569 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000056996991 965244390 /nfs/dbraw/zinc/24/43/90/965244390.db2.gz SBWOSUQHQTWKHD-UHFFFAOYSA-N 1 0 406.280 3.561 20 5 HHBDRO CC[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000537984547 1013559833 /nfs/dbraw/zinc/55/98/33/1013559833.db2.gz ZMEJXXDCNLAUNJ-KRWDZBQOSA-N 1 0 406.280 3.828 20 5 HHBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000054287738 965462008 /nfs/dbraw/zinc/46/20/08/965462008.db2.gz GLHGYEICJHMTGX-SFHVURJKSA-N 1 0 405.542 3.781 20 5 HHBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057501815 965477983 /nfs/dbraw/zinc/47/79/83/965477983.db2.gz TYAMXGLKOYGZIN-UHFFFAOYSA-N 1 0 402.882 3.571 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)cc2)C1 ZINC000058254581 965665795 /nfs/dbraw/zinc/66/57/95/965665795.db2.gz XBPVYOGMSGJDAQ-QGZVFWFLSA-N 1 0 410.518 3.823 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000058531528 965771242 /nfs/dbraw/zinc/77/12/42/965771242.db2.gz FXTQZJARPSDIPJ-UHFFFAOYSA-N 1 0 414.481 3.707 20 5 HHBDRO CC(C)COc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000542683596 1013604134 /nfs/dbraw/zinc/60/41/34/1013604134.db2.gz SVSNSSSERYGGPJ-MRXNPFEDSA-N 1 0 406.504 3.754 20 5 HHBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000553774327 1013604298 /nfs/dbraw/zinc/60/42/98/1013604298.db2.gz IPGRXUOIZXLRBB-HLNWXESRSA-N 1 0 414.550 3.776 20 5 HHBDRO CC1CC[NH+]([C@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000058723695 965863032 /nfs/dbraw/zinc/86/30/32/965863032.db2.gz ZPNCBWFQZQPCOT-GOSISDBHSA-N 1 0 423.560 3.549 20 5 HHBDRO Cc1ccc(NS(=O)(=O)c2ccc(NC3CC[NH+](C)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000058851291 965927845 /nfs/dbraw/zinc/92/78/45/965927845.db2.gz AYFVTHWNDYONEX-UHFFFAOYSA-N 1 0 418.519 3.519 20 5 HHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031220836 965943333 /nfs/dbraw/zinc/94/33/33/965943333.db2.gz YJNHOOWVLBHNOE-UHFFFAOYSA-N 1 0 407.474 3.552 20 5 HHBDRO CCc1ccc([C@@H](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000060159925 966071273 /nfs/dbraw/zinc/07/12/73/966071273.db2.gz UYDDITJMPPDXGE-OAQYLSRUSA-N 1 0 421.501 3.837 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000055908426 966136129 /nfs/dbraw/zinc/13/61/29/966136129.db2.gz DRNLRVSMMMGOPS-QGZVFWFLSA-N 1 0 401.438 3.778 20 5 HHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000031960218 966162856 /nfs/dbraw/zinc/16/28/56/966162856.db2.gz KLQRVJBADZAYDP-HNNXBMFYSA-N 1 0 409.577 3.553 20 5 HHBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060496228 966173072 /nfs/dbraw/zinc/17/30/72/966173072.db2.gz XDPXCRQOQZPZIC-PKOBYXMFSA-N 1 0 415.515 3.517 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000542720424 1013632358 /nfs/dbraw/zinc/63/23/58/1013632358.db2.gz UYNMCSGSMLZVKP-KRWDZBQOSA-N 1 0 401.442 3.647 20 5 HHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056159845 966240092 /nfs/dbraw/zinc/24/00/92/966240092.db2.gz WCOCZRZHMGXRIR-UONOGXRCSA-N 1 0 411.462 3.557 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1OC ZINC000056168451 966243937 /nfs/dbraw/zinc/24/39/37/966243937.db2.gz IJHALIPRQWCACJ-DOTOQJQBSA-N 1 0 413.474 3.567 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000060682511 966255846 /nfs/dbraw/zinc/25/58/46/966255846.db2.gz SGCQIPQRAZUNRL-UHFFFAOYSA-N 1 0 424.501 3.534 20 5 HHBDRO CCOc1cc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c([N+](=O)[O-])cc1OC ZINC000056326895 966304274 /nfs/dbraw/zinc/30/42/74/966304274.db2.gz XQANKGLQHQUSBW-UHFFFAOYSA-N 1 0 413.474 3.893 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)cc1OC ZINC000032733952 966320698 /nfs/dbraw/zinc/32/06/98/966320698.db2.gz RFTDNYMWYBLXFT-IBGZPJMESA-N 1 0 415.490 3.597 20 5 HHBDRO CCOc1cc(C[NH2+]C(C)C)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000061002565 966347986 /nfs/dbraw/zinc/34/79/86/966347986.db2.gz CZKKMQNYNRCQJH-UHFFFAOYSA-N 1 0 402.447 3.937 20 5 HHBDRO CCC[NH+]1CCC(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000061031120 966355333 /nfs/dbraw/zinc/35/53/33/966355333.db2.gz YQDQPCCONYPAFY-CALCHBBNSA-N 1 0 402.539 3.681 20 5 HHBDRO CCCOc1cc(NC(=O)N2CCC[N@H+](CC)CC2)c([N+](=O)[O-])cc1OCCC ZINC000538080240 1013652040 /nfs/dbraw/zinc/65/20/40/1013652040.db2.gz RTSGKDNZUXPJKZ-UHFFFAOYSA-N 1 0 408.499 3.732 20 5 HHBDRO Cc1ccc(NC(=O)C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000062046165 966606035 /nfs/dbraw/zinc/60/60/35/966606035.db2.gz PHWFVLZYFBUZRF-QGZVFWFLSA-N 1 0 424.501 3.533 20 5 HHBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000063081141 966748370 /nfs/dbraw/zinc/74/83/70/966748370.db2.gz SXABVADKKCMPBY-UHFFFAOYSA-N 1 0 408.502 3.811 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080957 966748488 /nfs/dbraw/zinc/74/84/88/966748488.db2.gz SAPOPJLQVZZVTJ-UHFFFAOYSA-N 1 0 410.518 3.815 20 5 HHBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000063081456 966748497 /nfs/dbraw/zinc/74/84/97/966748497.db2.gz ZGXGOZJOYGBPES-UHFFFAOYSA-N 1 0 422.529 3.837 20 5 HHBDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000063263547 966796244 /nfs/dbraw/zinc/79/62/44/966796244.db2.gz WEAKLBYNDMZVME-UHFFFAOYSA-N 1 0 417.893 3.899 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063271788 966798423 /nfs/dbraw/zinc/79/84/23/966798423.db2.gz OPPITEAYJNPEMA-AWEZNQCLSA-N 1 0 409.914 3.786 20 5 HHBDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000063388479 966838977 /nfs/dbraw/zinc/83/89/77/966838977.db2.gz RFFYILDKJISLAB-UHFFFAOYSA-N 1 0 412.490 3.946 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000043127194 966910972 /nfs/dbraw/zinc/91/09/72/966910972.db2.gz OLUBHGIEDJXGRH-SFHVURJKSA-N 1 0 414.462 3.571 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000063710519 966934613 /nfs/dbraw/zinc/93/46/13/966934613.db2.gz PISKGKQXRVQUEC-ZWKOTPCHSA-N 1 0 402.539 3.681 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCCNC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000043346912 966956597 /nfs/dbraw/zinc/95/65/97/966956597.db2.gz KHLJRNQMRBVLJN-UHFFFAOYSA-N 1 0 411.506 3.545 20 5 HHBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043727315 967020547 /nfs/dbraw/zinc/02/05/47/967020547.db2.gz ZWVUXHRCBVOHAG-UHFFFAOYSA-N 1 0 408.502 3.543 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000064113346 967051480 /nfs/dbraw/zinc/05/14/80/967051480.db2.gz RZZNXAHERCAOEU-CALCHBBNSA-N 1 0 413.522 3.729 20 5 HHBDRO COc1ccc(CSCC(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000064126111 967057119 /nfs/dbraw/zinc/05/71/19/967057119.db2.gz GBLRNPRRCILVIL-UHFFFAOYSA-N 1 0 421.563 3.561 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@H]3CCCS3(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000553919999 1013701033 /nfs/dbraw/zinc/70/10/33/1013701033.db2.gz WIIHEACDGGINJC-QGZVFWFLSA-N 1 0 406.529 3.721 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000064470496 967200182 /nfs/dbraw/zinc/20/01/82/967200182.db2.gz UNDGONLKMWXRAW-UHFFFAOYSA-N 1 0 401.410 3.879 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 ZINC000538147216 1013707035 /nfs/dbraw/zinc/70/70/35/1013707035.db2.gz ISPLUXNZKIWXIG-GFCCVEGCSA-N 1 0 404.264 3.597 20 5 HHBDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000044653508 967269847 /nfs/dbraw/zinc/26/98/47/967269847.db2.gz ODCDKLAIORMBKW-UHFFFAOYSA-N 1 0 413.865 3.519 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000064724914 967276226 /nfs/dbraw/zinc/27/62/26/967276226.db2.gz GHUZCIMKIKVGKH-OWCLPIDISA-N 1 0 411.930 3.890 20 5 HHBDRO Cn1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064749111 967281369 /nfs/dbraw/zinc/28/13/69/967281369.db2.gz STASKXVKNUKWDZ-UHFFFAOYSA-N 1 0 419.485 3.521 20 5 HHBDRO CCOc1cc(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1OCC ZINC000065359405 967442791 /nfs/dbraw/zinc/44/27/91/967442791.db2.gz WFCFBLWMMWLVOT-HNNXBMFYSA-N 1 0 408.499 3.634 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)c([N+](=O)[O-])c1 ZINC000542881048 1013729647 /nfs/dbraw/zinc/72/96/47/1013729647.db2.gz LARBUHSDEXKXOX-HNNXBMFYSA-N 1 0 423.473 3.777 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)NCCc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000538174728 1013733247 /nfs/dbraw/zinc/73/32/47/1013733247.db2.gz FNUJFHGNTAUJSP-CYBMUJFWSA-N 1 0 411.380 3.503 20 5 HHBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1OC ZINC000542915730 1013754805 /nfs/dbraw/zinc/75/48/05/1013754805.db2.gz NDAWTUZVAODFEQ-SJORKVTESA-N 1 0 416.522 3.826 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000538207604 1013761368 /nfs/dbraw/zinc/76/13/68/1013761368.db2.gz HKZQNUNJOVLOFJ-CYBMUJFWSA-N 1 0 416.865 3.664 20 5 HHBDRO O=C(C[NH2+][C@@H](COc1ccccc1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000538217075 1013769131 /nfs/dbraw/zinc/76/91/31/1013769131.db2.gz ZBYBTSADHFGMIU-QFIPXVFZSA-N 1 0 417.465 3.894 20 5 HHBDRO CC1CC[NH+](CCCCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000048239267 968496392 /nfs/dbraw/zinc/49/63/92/968496392.db2.gz AEMXABYAVIHOGD-UHFFFAOYSA-N 1 0 417.428 3.778 20 5 HHBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1 ZINC000554111869 1013803184 /nfs/dbraw/zinc/80/31/84/1013803184.db2.gz JAVHGMVVIKCMBR-SUNYJGFJSA-N 1 0 400.504 3.521 20 5 HHBDRO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000538276067 1013815379 /nfs/dbraw/zinc/81/53/79/1013815379.db2.gz CUCBBMUKLHPDHV-INIZCTEOSA-N 1 0 421.501 3.673 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000065936865 968726129 /nfs/dbraw/zinc/72/61/29/968726129.db2.gz SIGSPUQMJDDOOD-UHFFFAOYSA-N 1 0 404.898 3.641 20 5 HHBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000105875839 969269591 /nfs/dbraw/zinc/26/95/91/969269591.db2.gz KOALLDAMUOHNLU-UHFFFAOYSA-N 1 0 400.523 3.532 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000109505022 969525765 /nfs/dbraw/zinc/52/57/65/969525765.db2.gz WVYIFHDAALMOLF-QFIPXVFZSA-N 1 0 419.485 3.656 20 5 HHBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109887870 969586775 /nfs/dbraw/zinc/58/67/75/969586775.db2.gz OHEOGRCYQFQFRZ-UHFFFAOYSA-N 1 0 411.487 3.581 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000554283483 1013893517 /nfs/dbraw/zinc/89/35/17/1013893517.db2.gz WYCDTKCQPSYTAD-DLBZAZTESA-N 1 0 415.515 3.733 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000110339763 969656447 /nfs/dbraw/zinc/65/64/47/969656447.db2.gz JYGWTCQICQDJKO-IEBWSBKVSA-N 1 0 423.517 3.863 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000115888065 969859046 /nfs/dbraw/zinc/85/90/46/969859046.db2.gz SCYGACXHQCPOHJ-UHFFFAOYSA-N 1 0 414.481 3.579 20 5 HHBDRO Cc1cc(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000195662404 969940214 /nfs/dbraw/zinc/94/02/14/969940214.db2.gz RXLLWZXUERRXFO-IRXDYDNUSA-N 1 0 412.490 3.834 20 5 HHBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000195684370 969954400 /nfs/dbraw/zinc/95/44/00/969954400.db2.gz FHRYHTFKMUBRNS-UHFFFAOYSA-N 1 0 402.882 3.684 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCn3cccn3)o2)c(Br)c1 ZINC000236568362 970142202 /nfs/dbraw/zinc/14/22/02/970142202.db2.gz JLIILMHIYQNCCH-UHFFFAOYSA-N 1 0 405.252 3.994 20 5 HHBDRO CC(C)CC(=O)N1CCC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000236606417 970146131 /nfs/dbraw/zinc/14/61/31/970146131.db2.gz AXRKPAQBQLOPBA-UHFFFAOYSA-N 1 0 402.520 3.845 20 5 HHBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000236790014 970172214 /nfs/dbraw/zinc/17/22/14/970172214.db2.gz VNSCKNZVSCJGOJ-CQSZACIVSA-N 1 0 414.300 3.750 20 5 HHBDRO CCNC(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 ZINC000236979513 970199186 /nfs/dbraw/zinc/19/91/86/970199186.db2.gz KGJAIBQWZVNELT-UHFFFAOYSA-N 1 0 409.442 3.903 20 5 HHBDRO COc1cc(C[NH2+]Cc2cccc(CO)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237111939 970224833 /nfs/dbraw/zinc/22/48/33/970224833.db2.gz KULUHZUHIFDYFK-UHFFFAOYSA-N 1 0 408.454 3.965 20 5 HHBDRO COc1cc(C[NH2+]CC2(O)CCCCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237132982 970228837 /nfs/dbraw/zinc/22/88/37/970228837.db2.gz PJMACDMYKSVBGC-UHFFFAOYSA-N 1 0 400.475 3.967 20 5 HHBDRO COc1ccc(C[NH2+]CCc2c(C)nn(C)c2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237154814 970232909 /nfs/dbraw/zinc/23/29/09/970232909.db2.gz GQCQTANHAGCIHU-UHFFFAOYSA-N 1 0 424.501 3.865 20 5 HHBDRO COc1cc(CNCC[NH+]2CCCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237168497 970234619 /nfs/dbraw/zinc/23/46/19/970234619.db2.gz BVAWHUPLFVJWAR-UHFFFAOYSA-N 1 0 405.417 3.510 20 5 HHBDRO COc1cc(CNC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237215260 970243116 /nfs/dbraw/zinc/24/31/16/970243116.db2.gz DGAAJBHTSOPNKH-ZIAGYGMSSA-N 1 0 419.444 3.755 20 5 HHBDRO COc1ccc(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237243999 970247982 /nfs/dbraw/zinc/24/79/82/970247982.db2.gz UIGNPOXFLZLXKM-HNNXBMFYSA-N 1 0 415.490 3.575 20 5 HHBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237281657 970254143 /nfs/dbraw/zinc/25/41/43/970254143.db2.gz BMRPLTMQFMHKSL-PKOBYXMFSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1cc(C[NH2+]CCc2cn3ccccc3n2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237414149 970281249 /nfs/dbraw/zinc/28/12/49/970281249.db2.gz MBIFRGMJQCWMDP-UHFFFAOYSA-N 1 0 424.379 3.525 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](Cc3ccccc3)C(=O)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000237438796 970288699 /nfs/dbraw/zinc/28/86/99/970288699.db2.gz VMJQVXVHQLYHJD-FQEVSTJZSA-N 1 0 423.469 3.653 20 5 HHBDRO C[C@H]1CN(C(C)(C)C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000237599403 970320058 /nfs/dbraw/zinc/32/00/58/970320058.db2.gz ZODHCGNTAQJZIC-GJZGRUSLSA-N 1 0 404.536 3.696 20 5 HHBDRO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000237717158 970345608 /nfs/dbraw/zinc/34/56/08/970345608.db2.gz BLCARUAOJRMLKI-UWJYYQICSA-N 1 0 405.502 3.748 20 5 HHBDRO Cn1cc(C[NH2+]CCCc2nc3ccccc3n2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237759119 970357316 /nfs/dbraw/zinc/35/73/16/970357316.db2.gz QEGYBFJGBNTPCH-UHFFFAOYSA-N 1 0 404.474 3.604 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000237904801 970391300 /nfs/dbraw/zinc/39/13/00/970391300.db2.gz LUJKJXBVSLYZMX-IBGZPJMESA-N 1 0 409.408 3.777 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000150205224 970433600 /nfs/dbraw/zinc/43/36/00/970433600.db2.gz IJEBZJIMYYOXAE-MRXNPFEDSA-N 1 0 408.462 3.506 20 5 HHBDRO Cc1ccccc1C[N@@H+]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000164782019 970451225 /nfs/dbraw/zinc/45/12/25/970451225.db2.gz XXNMETNSLGUPMU-UHFFFAOYSA-N 1 0 410.518 3.748 20 5 HHBDRO CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000261395978 970649621 /nfs/dbraw/zinc/64/96/21/970649621.db2.gz JERUSFIWOFOFKZ-BEFAXECRSA-N 1 0 413.474 3.848 20 5 HHBDRO COc1ccccc1[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000301070675 970733668 /nfs/dbraw/zinc/73/36/68/970733668.db2.gz HAOAYFDMOYQMPO-HXUWFJFHSA-N 1 0 423.473 3.891 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000311845087 972629321 /nfs/dbraw/zinc/62/93/21/972629321.db2.gz UWLTYTZZSHLRJH-HNNXBMFYSA-N 1 0 418.291 3.609 20 5 HHBDRO COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)c2Br)[NH+](C)C)c1 ZINC000328017577 972764530 /nfs/dbraw/zinc/76/45/30/972764530.db2.gz XMFFSJFTIWTMPT-OAHLLOKOSA-N 1 0 409.284 3.784 20 5 HHBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(Br)c1 ZINC000382197714 972785011 /nfs/dbraw/zinc/78/50/11/972785011.db2.gz ZKTPMJRHWXQNRN-CVEARBPZSA-N 1 0 417.307 3.711 20 5 HHBDRO CC[NH+](CC)CCOc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)ccc1OC ZINC000409647414 973097899 /nfs/dbraw/zinc/09/78/99/973097899.db2.gz XWDNEAUPCATPIN-UHFFFAOYSA-N 1 0 405.426 3.715 20 5 HHBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000410132437 973619624 /nfs/dbraw/zinc/61/96/24/973619624.db2.gz CONVKQDGJNIQNG-LJQANCHMSA-N 1 0 402.882 3.885 20 5 HHBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1C ZINC000426265574 974357359 /nfs/dbraw/zinc/35/73/59/974357359.db2.gz HRJBMDBLVBHMFT-WFASDCNBSA-N 1 0 402.417 3.628 20 5 HHBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000426803058 974671928 /nfs/dbraw/zinc/67/19/28/974671928.db2.gz ZZZHWBRTIUZPPH-IBGZPJMESA-N 1 0 411.502 3.978 20 5 HHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000427908409 975343583 /nfs/dbraw/zinc/34/35/83/975343583.db2.gz XSZHSXRGMHPCOG-UHFFFAOYSA-N 1 0 422.485 3.680 20 5 HHBDRO C[C@]1(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1Cc1ccccc1 ZINC000428319306 975624020 /nfs/dbraw/zinc/62/40/20/975624020.db2.gz PFTFJQGDSWUPSX-HSZRJFAPSA-N 1 0 420.469 3.633 20 5 HHBDRO C[C@H](O)C[NH+]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000428418693 975736439 /nfs/dbraw/zinc/73/64/39/975736439.db2.gz LELBMCZTYUOCNX-HNNXBMFYSA-N 1 0 405.882 3.539 20 5 HHBDRO COc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000428458185 975763250 /nfs/dbraw/zinc/76/32/50/975763250.db2.gz BBGWTYFMTVVWOW-WOJBJXKFSA-N 1 0 400.475 3.918 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000428551532 975861835 /nfs/dbraw/zinc/86/18/35/975861835.db2.gz SNPDCPHUEVGVNW-QGZVFWFLSA-N 1 0 401.488 3.526 20 5 HHBDRO CCOC1(C)CCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000428712747 976002346 /nfs/dbraw/zinc/00/23/46/976002346.db2.gz QVPZYFRLDFRYEO-UHFFFAOYSA-N 1 0 404.492 3.548 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429126720 976412124 /nfs/dbraw/zinc/41/21/24/976412124.db2.gz IGIQHVWHHKUNGL-NVXWUHKLSA-N 1 0 408.907 3.855 20 5 HHBDRO CCOc1ccc([C@@H](C)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000429431854 976711168 /nfs/dbraw/zinc/71/11/68/976711168.db2.gz WRSPPVATTOQJSJ-NQIIRXRSSA-N 1 0 413.518 3.935 20 5 HHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430292349 977452536 /nfs/dbraw/zinc/45/25/36/977452536.db2.gz ISSVMULUSVJYIQ-WBVHZDCISA-N 1 0 421.457 3.691 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H]([NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000430386140 977516039 /nfs/dbraw/zinc/51/60/39/977516039.db2.gz PMOIAPPTUITSIS-SCTDSRPQSA-N 1 0 402.539 3.633 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000430668401 977680372 /nfs/dbraw/zinc/68/03/72/977680372.db2.gz RJFOLXLYLXRGIK-IEBWSBKVSA-N 1 0 419.485 3.563 20 5 HHBDRO Cc1cc(OCC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000430675715 977686631 /nfs/dbraw/zinc/68/66/31/977686631.db2.gz ACKRCIGYEHXGFM-QUCCMNQESA-N 1 0 411.502 3.794 20 5 HHBDRO Cc1cc(OCC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccc1[N+](=O)[O-] ZINC000430676475 977688119 /nfs/dbraw/zinc/68/81/19/977688119.db2.gz DPPUIKQFFWNHHH-DEOSSOPVSA-N 1 0 423.513 3.797 20 5 HHBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000430681008 977691800 /nfs/dbraw/zinc/69/18/00/977691800.db2.gz ZVSKMZZMDBFKKB-UHFFFAOYSA-N 1 0 422.957 3.517 20 5 HHBDRO Cc1cc(OCC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000430700389 977702070 /nfs/dbraw/zinc/70/20/70/977702070.db2.gz AZODIZFNDKDWCD-FOIQADDNSA-N 1 0 403.504 3.543 20 5 HHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431472430 978319329 /nfs/dbraw/zinc/31/93/29/978319329.db2.gz PZKAHJJMAJBSGK-GUYCJALGSA-N 1 0 418.291 3.923 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1C ZINC000431915291 978597853 /nfs/dbraw/zinc/59/78/53/978597853.db2.gz AGZGIEMKPSBHKK-MJGOQNOKSA-N 1 0 417.531 3.543 20 5 HHBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000432333866 978764866 /nfs/dbraw/zinc/76/48/66/978764866.db2.gz IAFRKCNLKBPFBB-YVEFUNNKSA-N 1 0 404.264 3.813 20 5 HHBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCCO1 ZINC000432548457 978879598 /nfs/dbraw/zinc/87/95/98/978879598.db2.gz DMCYUCXXSFFFSP-QGZVFWFLSA-N 1 0 412.490 3.569 20 5 HHBDRO Cc1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC000432947889 979019491 /nfs/dbraw/zinc/01/94/91/979019491.db2.gz HXDUJJJLUHHKJT-UHFFFAOYSA-N 1 0 400.479 3.900 20 5 HHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000433043299 979050193 /nfs/dbraw/zinc/05/01/93/979050193.db2.gz IEYJPNOGBWOYSI-INIZCTEOSA-N 1 0 408.458 3.732 20 5 HHBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000433443830 979310074 /nfs/dbraw/zinc/31/00/74/979310074.db2.gz QRBULUKSEVHNDU-UHFFFAOYSA-N 1 0 403.454 3.836 20 5 HHBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000434064416 979804264 /nfs/dbraw/zinc/80/42/64/979804264.db2.gz WPSJRPZEJWKQPP-KGLIPLIRSA-N 1 0 417.453 3.791 20 5 HHBDRO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1Cc2ccccc2C1 ZINC000434718128 980352506 /nfs/dbraw/zinc/35/25/06/980352506.db2.gz LKPFJJYRRGLQBK-UHFFFAOYSA-N 1 0 408.483 3.756 20 5 HHBDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000435056378 980601080 /nfs/dbraw/zinc/60/10/80/980601080.db2.gz MJNVTFWLKIVCNG-INIZCTEOSA-N 1 0 403.454 3.679 20 5 HHBDRO Cc1c(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435318793 980778795 /nfs/dbraw/zinc/77/87/95/980778795.db2.gz IVPTVTOAEDXGAE-CQSZACIVSA-N 1 0 411.300 3.758 20 5 HHBDRO Cc1c(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435322565 980781346 /nfs/dbraw/zinc/78/13/46/980781346.db2.gz DWXMUKPIAAJCBO-UHFFFAOYSA-N 1 0 411.300 3.758 20 5 HHBDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000435495816 980902376 /nfs/dbraw/zinc/90/23/76/980902376.db2.gz HVXWVVSGMLJGCK-UHFFFAOYSA-N 1 0 406.486 3.632 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000435729987 981006381 /nfs/dbraw/zinc/00/63/81/981006381.db2.gz CIBUHSLYEBFQQU-JCNLHEQBSA-N 1 0 404.850 3.836 20 5 HHBDRO COc1cc(C[NH2+]CC2([S@](C)=O)CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435736565 981009647 /nfs/dbraw/zinc/00/96/47/981009647.db2.gz XXKPPXIXISDSOJ-LJAQVGFWSA-N 1 0 418.515 3.573 20 5 HHBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000435834962 981052819 /nfs/dbraw/zinc/05/28/19/981052819.db2.gz KXQOQKZWBHYBDY-UHFFFAOYSA-N 1 0 413.468 3.955 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435838598 981054711 /nfs/dbraw/zinc/05/47/11/981054711.db2.gz YUHKSAXGVZGNHK-CQSZACIVSA-N 1 0 413.468 3.954 20 5 HHBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000436063812 981185037 /nfs/dbraw/zinc/18/50/37/981185037.db2.gz LSHIJNLXRBLGNP-UHFFFAOYSA-N 1 0 401.466 3.874 20 5 HHBDRO C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[N@@H+]1CCCC[C@H]1C ZINC000436096176 981197881 /nfs/dbraw/zinc/19/78/81/981197881.db2.gz FAQLULQELJFVDB-KGLIPLIRSA-N 1 0 413.468 3.952 20 5 HHBDRO C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[N@@H+]1CCC[C@@H](C)C1 ZINC000436103158 981201462 /nfs/dbraw/zinc/20/14/62/981201462.db2.gz UAVWWJZQHGLZNI-KGLIPLIRSA-N 1 0 413.468 3.810 20 5 HHBDRO COC1CC[NH+](C2(CNc3cc(C(F)(F)F)ncc3[N+](=O)[O-])CCCC2)CC1 ZINC000436381560 981338493 /nfs/dbraw/zinc/33/84/93/981338493.db2.gz BJNCZWNHBGOCCH-UHFFFAOYSA-N 1 0 402.417 3.844 20 5 HHBDRO COC(=O)c1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c(C)c([N+](=O)[O-])c1 ZINC000436392561 981344838 /nfs/dbraw/zinc/34/48/38/981344838.db2.gz SKCMRAYJSNZMIO-KRWDZBQOSA-N 1 0 418.494 3.608 20 5 HHBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000436436732 981369234 /nfs/dbraw/zinc/36/92/34/981369234.db2.gz VSRPRZGBDCVXFN-RBUKOAKNSA-N 1 0 414.531 3.585 20 5 HHBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460242783 982020208 /nfs/dbraw/zinc/02/02/08/982020208.db2.gz TXKVLJYTDMGPFX-GOSISDBHSA-N 1 0 420.517 3.974 20 5 HHBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438015872 982525287 /nfs/dbraw/zinc/52/52/87/982525287.db2.gz TYCDEHYVUTVDRX-UHFFFAOYSA-N 1 0 418.563 3.630 20 5 HHBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000438533387 982870558 /nfs/dbraw/zinc/87/05/58/982870558.db2.gz RLXSSVXFBMNKMY-UHFFFAOYSA-N 1 0 419.550 3.807 20 5 HHBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000438540002 982877959 /nfs/dbraw/zinc/87/79/59/982877959.db2.gz ZLMFKVOBOAODCC-UHFFFAOYSA-N 1 0 401.410 3.879 20 5 HHBDRO CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000438654452 982971693 /nfs/dbraw/zinc/97/16/93/982971693.db2.gz GJCDTXCYLZVKHE-PKOBYXMFSA-N 1 0 424.501 3.526 20 5 HHBDRO CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000438657181 982974825 /nfs/dbraw/zinc/97/48/25/982974825.db2.gz UBDRPSAQHLGQQG-PXNSSMCTSA-N 1 0 424.501 3.526 20 5 HHBDRO O=C(CSc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461430175 983092862 /nfs/dbraw/zinc/09/28/62/983092862.db2.gz WZSMFSQAJPIYOL-MOPGFXCFSA-N 1 0 411.527 3.667 20 5 HHBDRO CC(C)[N@@H+](Cc1ccc(-c2ccc(F)cc2)s1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438837243 983106166 /nfs/dbraw/zinc/10/61/66/983106166.db2.gz RMEJFIJIZVCJCA-GOSISDBHSA-N 1 0 418.494 3.930 20 5 HHBDRO Cc1c(CC(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cccc1[N+](=O)[O-] ZINC000438902902 983144902 /nfs/dbraw/zinc/14/49/02/983144902.db2.gz UODWYCOZZCOZRB-UHFFFAOYSA-N 1 0 408.502 3.616 20 5 HHBDRO Cc1c(CC(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000439048810 983227401 /nfs/dbraw/zinc/22/74/01/983227401.db2.gz DXJGUIXSKNMBLF-IBGZPJMESA-N 1 0 409.486 3.550 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000439103489 983250735 /nfs/dbraw/zinc/25/07/35/983250735.db2.gz WNCQCGLUALFCFN-OAHLLOKOSA-N 1 0 407.474 4.230 20 5 HHBDRO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000439466930 983422232 /nfs/dbraw/zinc/42/22/32/983422232.db2.gz IFEXWAULBJVJFS-YCRPNKLZSA-N 1 0 414.462 3.589 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000439733997 983519016 /nfs/dbraw/zinc/51/90/16/983519016.db2.gz PEOZYMVFVGYFEW-CYBMUJFWSA-N 1 0 422.407 3.964 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000439765463 983529695 /nfs/dbraw/zinc/52/96/95/983529695.db2.gz GOBIVGNGQNDFKL-QGZVFWFLSA-N 1 0 411.506 3.524 20 5 HHBDRO COc1cc(C(=O)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000439989816 983607801 /nfs/dbraw/zinc/60/78/01/983607801.db2.gz SBVJJTHTENFUOD-UHFFFAOYSA-N 1 0 419.522 3.585 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000440171749 983668656 /nfs/dbraw/zinc/66/86/56/983668656.db2.gz BQBIYLOIKQMAJG-KRWDZBQOSA-N 1 0 423.517 3.889 20 5 HHBDRO Cc1c(NC(=O)CC[N@H+](CCCO)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000441062683 984050490 /nfs/dbraw/zinc/05/04/90/984050490.db2.gz NNPYPSJWPUDWEP-UHFFFAOYSA-N 1 0 405.882 3.770 20 5 HHBDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000441386817 984224198 /nfs/dbraw/zinc/22/41/98/984224198.db2.gz XBIIFVNFNOGIAZ-YADHBBJMSA-N 1 0 419.485 3.545 20 5 HHBDRO COc1ccccc1-c1ccc(C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000441469502 984268387 /nfs/dbraw/zinc/26/83/87/984268387.db2.gz SETMPZOTSJPFJZ-OAQYLSRUSA-N 1 0 424.501 3.738 20 5 HHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441659137 984379211 /nfs/dbraw/zinc/37/92/11/984379211.db2.gz OEMDHJUNEURRAU-KNKQGSTJSA-N 1 0 409.486 3.941 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000462164264 985140097 /nfs/dbraw/zinc/14/00/97/985140097.db2.gz ZNCJWIUFKODGHK-ZDUSSCGKSA-N 1 0 422.334 3.541 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000462538415 985486069 /nfs/dbraw/zinc/48/60/69/985486069.db2.gz NMGNBAXPTNLODJ-UHFFFAOYSA-N 1 0 422.334 3.541 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000462607973 985551812 /nfs/dbraw/zinc/55/18/12/985551812.db2.gz SISIDAPKQCTFNG-HXUWFJFHSA-N 1 0 410.518 3.934 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000462777661 985713470 /nfs/dbraw/zinc/71/34/70/985713470.db2.gz NQZBCHGICMUVSK-PKOBYXMFSA-N 1 0 410.518 3.900 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000462779286 985714433 /nfs/dbraw/zinc/71/44/33/985714433.db2.gz OKKCBZFQGXBYJL-IBGZPJMESA-N 1 0 411.502 3.759 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@H](O)C[C@H]3c3cc(F)ccc3F)o2)c1 ZINC000443590087 985765849 /nfs/dbraw/zinc/76/58/49/985765849.db2.gz HZNRNDUUVCLARY-APWZRJJASA-N 1 0 415.396 3.878 20 5 HHBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(C)(C)C)cc1 ZINC000462846288 985770820 /nfs/dbraw/zinc/77/08/20/985770820.db2.gz AKTBKWBSLCBAPT-HNNXBMFYSA-N 1 0 406.504 3.897 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443660262 985860087 /nfs/dbraw/zinc/86/00/87/985860087.db2.gz QNTGWVKARKZVOO-OAHLLOKOSA-N 1 0 417.849 3.700 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000462928675 985864241 /nfs/dbraw/zinc/86/42/41/985864241.db2.gz YBXJGIHVVBYGBV-FQEVSTJZSA-N 1 0 424.545 3.724 20 5 HHBDRO CNc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000462980421 985927823 /nfs/dbraw/zinc/92/78/23/985927823.db2.gz IYWQLYYBIQSNMI-OAHLLOKOSA-N 1 0 422.407 3.660 20 5 HHBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463111830 986074355 /nfs/dbraw/zinc/07/43/55/986074355.db2.gz QOGXTRMYDFXUES-UHFFFAOYSA-N 1 0 417.453 3.705 20 5 HHBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000468486545 986185196 /nfs/dbraw/zinc/18/51/96/986185196.db2.gz HOHWCBPTKKEQGD-SFHVURJKSA-N 1 0 413.468 3.810 20 5 HHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)c1 ZINC000444005316 986202169 /nfs/dbraw/zinc/20/21/69/986202169.db2.gz VZUPABATNSGLAK-LLVKDONJSA-N 1 0 420.334 3.554 20 5 HHBDRO CC[NH+](CC)CCCCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444034059 986230090 /nfs/dbraw/zinc/23/00/90/986230090.db2.gz GUDAFTSJFYRXLR-UHFFFAOYSA-N 1 0 401.457 3.811 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000463291333 986258445 /nfs/dbraw/zinc/25/84/45/986258445.db2.gz WZECOYJGUXCFME-JTSKRJEESA-N 1 0 408.502 3.789 20 5 HHBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444080263 986281083 /nfs/dbraw/zinc/28/10/83/986281083.db2.gz HYPGOCVIUASMAM-HNNXBMFYSA-N 1 0 413.468 3.906 20 5 HHBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444096448 986295170 /nfs/dbraw/zinc/29/51/70/986295170.db2.gz PAIWACATZVYGAF-INIZCTEOSA-N 1 0 413.468 3.906 20 5 HHBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000444129341 986322806 /nfs/dbraw/zinc/32/28/06/986322806.db2.gz RNCKXXUDZOQPJG-CQSZACIVSA-N 1 0 413.468 3.763 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000468638085 986353989 /nfs/dbraw/zinc/35/39/89/986353989.db2.gz MPKMNCZJWRQTLB-ATVHPVEESA-N 1 0 417.531 3.817 20 5 HHBDRO Cc1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n(C2CC[NH+](C)CC2)n1 ZINC000444185522 986362696 /nfs/dbraw/zinc/36/26/96/986362696.db2.gz RBIOTLSPRYGHJP-UHFFFAOYSA-N 1 0 415.497 3.705 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000468651153 986364869 /nfs/dbraw/zinc/36/48/69/986364869.db2.gz AKTAPIUUHORBGQ-KAMYIIQDSA-N 1 0 418.291 3.780 20 5 HHBDRO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000468679982 986390269 /nfs/dbraw/zinc/39/02/69/986390269.db2.gz AWBMEJQSNBAEIA-OAHLLOKOSA-N 1 0 404.854 3.544 20 5 HHBDRO COc1cccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000463435599 986411723 /nfs/dbraw/zinc/41/17/23/986411723.db2.gz UJYXODSOZJCLQG-KRWDZBQOSA-N 1 0 411.380 3.655 20 5 HHBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000468701796 986414494 /nfs/dbraw/zinc/41/44/94/986414494.db2.gz RVZGGJNHPVIVTB-UHFFFAOYSA-N 1 0 403.504 3.770 20 5 HHBDRO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000444242776 986435078 /nfs/dbraw/zinc/43/50/78/986435078.db2.gz HAGWKSNOLGQARO-UZUQRXQVSA-N 1 0 401.510 3.770 20 5 HHBDRO COc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000444292061 986478887 /nfs/dbraw/zinc/47/88/87/986478887.db2.gz JWGJNAQTKFMYFR-UYAOXDASSA-N 1 0 409.486 3.730 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000469074304 986786677 /nfs/dbraw/zinc/78/66/77/986786677.db2.gz SGIOFJLRJMRDEQ-RKCSUWQLSA-N 1 0 421.291 3.790 20 5 HHBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 ZINC000444763913 986924784 /nfs/dbraw/zinc/92/47/84/986924784.db2.gz VXBNSZXUIQWKTE-JTQLQIEISA-N 1 0 419.322 3.543 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444788838 986943799 /nfs/dbraw/zinc/94/37/99/986943799.db2.gz YDFNSXPDKGZBHZ-UHFFFAOYSA-N 1 0 411.502 3.549 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469459081 987144274 /nfs/dbraw/zinc/14/42/74/987144274.db2.gz NZULHLLAWWLDGL-CYBMUJFWSA-N 1 0 405.401 3.700 20 5 HHBDRO COc1ccc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000469496497 987175859 /nfs/dbraw/zinc/17/58/59/987175859.db2.gz VMVLKAWNALOQDD-MRXNPFEDSA-N 1 0 411.380 3.655 20 5 HHBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H](C)[NH+]3CCC(Cc4ccccc4)CC3)n2)n1C ZINC000445620523 987691699 /nfs/dbraw/zinc/69/16/99/987691699.db2.gz OBVBEHIWNMFCNY-AWEZNQCLSA-N 1 0 410.478 3.702 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[NH+]2CCCCC2)cc1 ZINC000445646805 987720937 /nfs/dbraw/zinc/72/09/37/987720937.db2.gz GMFPIFBIYBPNCS-JOCHJYFZSA-N 1 0 411.502 3.879 20 5 HHBDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445696135 987762055 /nfs/dbraw/zinc/76/20/55/987762055.db2.gz CZCKQKIQSLAOEQ-MRXNPFEDSA-N 1 0 414.531 3.636 20 5 HHBDRO C[C@H]([NH2+]C1(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCOCC1)c1ccccc1 ZINC000470137659 988043713 /nfs/dbraw/zinc/04/37/13/988043713.db2.gz LXCWSSMQXHOMNC-HNNXBMFYSA-N 1 0 416.453 3.755 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000470185024 988100757 /nfs/dbraw/zinc/10/07/57/988100757.db2.gz VWAILYCBSXEPMY-QGOAFFKASA-N 1 0 411.477 3.914 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000464323777 988458161 /nfs/dbraw/zinc/45/81/61/988458161.db2.gz JGFWAZYUVJWGND-PXNSSMCTSA-N 1 0 414.550 3.825 20 5 HHBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000464357464 988510447 /nfs/dbraw/zinc/51/04/47/988510447.db2.gz SZGIFUZZXOQHLV-MRXNPFEDSA-N 1 0 400.504 3.713 20 5 HHBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000464568575 988745579 /nfs/dbraw/zinc/74/55/79/988745579.db2.gz LMGZJPMHOJYEOV-GOSISDBHSA-N 1 0 402.539 3.635 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000464608471 988789963 /nfs/dbraw/zinc/78/99/63/988789963.db2.gz MYFZVTZLDPGZMA-GXTWGEPZSA-N 1 0 403.483 3.541 20 5 HHBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000464673195 988871363 /nfs/dbraw/zinc/87/13/63/988871363.db2.gz XPIWUWAEVMHIKL-AWEZNQCLSA-N 1 0 416.444 3.606 20 5 HHBDRO C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000464840694 989086853 /nfs/dbraw/zinc/08/68/53/989086853.db2.gz VWNSALGSMPEBIM-MRXNPFEDSA-N 1 0 416.909 3.783 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000471019152 989089812 /nfs/dbraw/zinc/08/98/12/989089812.db2.gz OUPNLRMLBYTTIK-QFIPXVFZSA-N 1 0 411.502 3.994 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000471029002 989101052 /nfs/dbraw/zinc/10/10/52/989101052.db2.gz DUFUUDYNMUZYPO-QFIPXVFZSA-N 1 0 411.502 3.994 20 5 HHBDRO Cc1c(NC(=O)CC[N@H+](CCCO)[C@@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000471030655 989102582 /nfs/dbraw/zinc/10/25/82/989102582.db2.gz UXQXNQINXMBZPL-JOCHJYFZSA-N 1 0 411.502 3.994 20 5 HHBDRO Cc1cccc(C[N@@H+](Cc2ccccn2)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000471181514 989311350 /nfs/dbraw/zinc/31/13/50/989311350.db2.gz MPHFTQNUGYIFJO-JOCHJYFZSA-N 1 0 407.470 3.740 20 5 HHBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000471206793 989347648 /nfs/dbraw/zinc/34/76/48/989347648.db2.gz GGHJUSNBSKWNHI-UHFFFAOYSA-N 1 0 400.454 3.764 20 5 HHBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471279463 989432269 /nfs/dbraw/zinc/43/22/69/989432269.db2.gz LUAHBYIDWMDFFX-INIZCTEOSA-N 1 0 419.934 3.979 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000471860782 990032738 /nfs/dbraw/zinc/03/27/38/990032738.db2.gz YKQCVKCSLVIYKR-AWEZNQCLSA-N 1 0 409.364 3.517 20 5 HHBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471904230 990073795 /nfs/dbraw/zinc/07/37/95/990073795.db2.gz AWDQVCSMGSBLRG-OAQYLSRUSA-N 1 0 410.518 3.739 20 5 HHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000466008956 991174439 /nfs/dbraw/zinc/17/44/39/991174439.db2.gz ZVZHYJLYYFDFBC-UHFFFAOYSA-N 1 0 410.518 3.614 20 5 HHBDRO Cc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1NC(=O)CC[NH+](C)C ZINC000466231069 991456106 /nfs/dbraw/zinc/45/61/06/991456106.db2.gz AXYMJHNRTBURHR-UHFFFAOYSA-N 1 0 404.854 3.699 20 5 HHBDRO C[NH+](C)CCCOc1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000466235612 991462751 /nfs/dbraw/zinc/46/27/51/991462751.db2.gz MLJULCQGJYGNRI-UHFFFAOYSA-N 1 0 420.897 3.578 20 5 HHBDRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000466328980 991582324 /nfs/dbraw/zinc/58/23/24/991582324.db2.gz NPGWEYLMQVXGNF-UHFFFAOYSA-N 1 0 414.437 3.801 20 5 HHBDRO COc1cc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000466471384 991762270 /nfs/dbraw/zinc/76/22/70/991762270.db2.gz BRJZEBAXLJTAOB-MSOLQXFVSA-N 1 0 418.412 3.839 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000467687993 992944186 /nfs/dbraw/zinc/94/41/86/992944186.db2.gz KEAIPDJNDWIVRO-XJKSGUPXSA-N 1 0 418.291 3.750 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[N@@H+]1Cc1ccccc1 ZINC000467691102 992946858 /nfs/dbraw/zinc/94/68/58/992946858.db2.gz LXGKCMPGTWJEAG-GHTZIAJQSA-N 1 0 422.529 3.590 20 5 HHBDRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000467846215 993078868 /nfs/dbraw/zinc/07/88/68/993078868.db2.gz LEAPTBGGMIVWGY-CYBMUJFWSA-N 1 0 406.280 3.828 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472487431 993489585 /nfs/dbraw/zinc/48/95/85/993489585.db2.gz UYKNVVCDHVUFBQ-NRFANRHFSA-N 1 0 410.518 3.828 20 5 HHBDRO CCOc1ccc(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000472502835 993501210 /nfs/dbraw/zinc/50/12/10/993501210.db2.gz PYKVWQALEGSCMB-YPGOJHLTSA-N 1 0 411.502 3.880 20 5 HHBDRO O=C(Nc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1)c1cccnc1 ZINC000472646296 993583048 /nfs/dbraw/zinc/58/30/48/993583048.db2.gz LITDOYJPTUMKSA-VQTJNVASSA-N 1 0 420.473 3.712 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(c2cccc(F)c2)C2CC[NH+](C)CC2)c1C ZINC000480955380 993795989 /nfs/dbraw/zinc/79/59/89/993795989.db2.gz BWBJYCSPJGKEDX-UHFFFAOYSA-N 1 0 421.494 3.640 20 5 HHBDRO Cc1ccc(C)c(S(=O)(=O)N(c2cccc(F)c2)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000481007093 993850187 /nfs/dbraw/zinc/85/01/87/993850187.db2.gz CYUBRSVTYUFISF-UHFFFAOYSA-N 1 0 421.494 3.640 20 5 HHBDRO COc1ccccc1CCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481177039 994007814 /nfs/dbraw/zinc/00/78/14/994007814.db2.gz POTWVBZQUOTNTF-UHFFFAOYSA-N 1 0 409.490 3.625 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000473276052 994125761 /nfs/dbraw/zinc/12/57/61/994125761.db2.gz AYVXKFXPMFTLKX-HZPDHXFCSA-N 1 0 406.486 3.963 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)[C@H](OC)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000481387819 994219124 /nfs/dbraw/zinc/21/91/24/994219124.db2.gz CMOMNSXMWJUGMC-BLVKFPJESA-N 1 0 407.854 3.561 20 5 HHBDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000473528726 994385829 /nfs/dbraw/zinc/38/58/29/994385829.db2.gz UTRGGARQYGTMCM-UHFFFAOYSA-N 1 0 405.804 3.783 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@H](CO)[C@H]3CCOC3)cc2[N+](=O)[O-])cc1 ZINC000481821411 994672137 /nfs/dbraw/zinc/67/21/37/994672137.db2.gz ZLTBHIWMWOIXDV-ROUUACIJSA-N 1 0 402.516 3.789 20 5 HHBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000481871093 994733719 /nfs/dbraw/zinc/73/37/19/994733719.db2.gz UVYAIZXKDUKODW-UYAOXDASSA-N 1 0 415.515 3.517 20 5 HHBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000481883742 994748383 /nfs/dbraw/zinc/74/83/83/994748383.db2.gz RPFWUBNEHHDGHD-IEBWSBKVSA-N 1 0 415.515 3.517 20 5 HHBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000481893459 994762700 /nfs/dbraw/zinc/76/27/00/994762700.db2.gz XDPXCRQOQZPZIC-IEBWSBKVSA-N 1 0 415.515 3.517 20 5 HHBDRO CN(CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000481908965 994781694 /nfs/dbraw/zinc/78/16/94/994781694.db2.gz YCHKJHUQKFKQAD-RTWAWAEBSA-N 1 0 422.529 3.544 20 5 HHBDRO Cc1ccccc1[C@@H]([C@@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000473933432 994906387 /nfs/dbraw/zinc/90/63/87/994906387.db2.gz QUHIEARJSVPAQV-CXAGYDPISA-N 1 0 411.911 3.526 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000474003964 994993559 /nfs/dbraw/zinc/99/35/59/994993559.db2.gz ACLWYXBYQNXGHH-MRXNPFEDSA-N 1 0 420.849 3.804 20 5 HHBDRO COc1cccc([C@@H]2[C@H](NC(=O)CCc3cccc([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000482068643 995002146 /nfs/dbraw/zinc/00/21/46/995002146.db2.gz AFZQLAYTCGFIKW-FYYLOGMGSA-N 1 0 409.486 3.630 20 5 HHBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000474187073 995178189 /nfs/dbraw/zinc/17/81/89/995178189.db2.gz CGOAYOHWWVLGCU-FQEVSTJZSA-N 1 0 411.502 3.763 20 5 HHBDRO Cn1cc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000482281436 995260672 /nfs/dbraw/zinc/26/06/72/995260672.db2.gz SYSJARMXQUMRGE-UHFFFAOYSA-N 1 0 424.476 3.704 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1[N+](=O)[O-])c1ccccn1 ZINC000482335219 995314907 /nfs/dbraw/zinc/31/49/07/995314907.db2.gz PQTPETUDMIARIK-HNNXBMFYSA-N 1 0 420.473 3.872 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)cc1[N+](=O)[O-] ZINC000474351627 995331423 /nfs/dbraw/zinc/33/14/23/995331423.db2.gz LVNKXFKQIBWNGL-ASSNKEHSSA-N 1 0 402.422 3.699 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000474429969 995393077 /nfs/dbraw/zinc/39/30/77/995393077.db2.gz WWIHRBDWIZVOBW-UHFFFAOYSA-N 1 0 402.426 3.529 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000482432245 995425156 /nfs/dbraw/zinc/42/51/56/995425156.db2.gz ABWGTUYKPULUHZ-AWEZNQCLSA-N 1 0 411.549 3.580 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1SC ZINC000482437142 995430038 /nfs/dbraw/zinc/43/00/38/995430038.db2.gz NWCJSJVBHIKANZ-UHFFFAOYSA-N 1 0 415.515 3.720 20 5 HHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000482880924 995813450 /nfs/dbraw/zinc/81/34/50/995813450.db2.gz CEOYYOAXUFXPHZ-MRXNPFEDSA-N 1 0 405.454 3.974 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2ccc(Br)cn2)cccc1[N+](=O)[O-] ZINC000482977573 995895659 /nfs/dbraw/zinc/89/56/59/995895659.db2.gz FUZISUNGNGTUFJ-GFCCVEGCSA-N 1 0 407.268 3.740 20 5 HHBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483229239 996048922 /nfs/dbraw/zinc/04/89/22/996048922.db2.gz DGEXSPHZYXCKRP-AWEZNQCLSA-N 1 0 404.772 3.969 20 5 HHBDRO CCCOc1ccc(C(C)(C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000483260893 996067222 /nfs/dbraw/zinc/06/72/22/996067222.db2.gz DTHYZWPFNXAUSK-UHFFFAOYSA-N 1 0 406.504 3.682 20 5 HHBDRO CCCOc1ccc(C(C)(C)[NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000483283689 996080465 /nfs/dbraw/zinc/08/04/65/996080465.db2.gz IUCYFDZGOKDEJI-UHFFFAOYSA-N 1 0 401.463 3.856 20 5 HHBDRO COc1cc(C[NH2+]C[C@@](C)(O)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000483428771 996172946 /nfs/dbraw/zinc/17/29/46/996172946.db2.gz OMZXYFMCYJMYFB-LJQANCHMSA-N 1 0 402.438 3.668 20 5 HHBDRO CCOc1cc(N2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)ccc1[N+](=O)[O-] ZINC000475496788 996180116 /nfs/dbraw/zinc/18/01/16/996180116.db2.gz WBUQKRJZUPTDAT-UHFFFAOYSA-N 1 0 408.458 3.570 20 5 HHBDRO CC[C@H](C)[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000475536685 996207774 /nfs/dbraw/zinc/20/77/74/996207774.db2.gz KLSNSOYRDFTTNK-ZDUSSCGKSA-N 1 0 413.400 3.549 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000475569008 996223956 /nfs/dbraw/zinc/22/39/56/996223956.db2.gz CBZQLKVYQMGHHQ-FUHWJXTLSA-N 1 0 402.422 3.712 20 5 HHBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H]2CCCc3cc(OC)ccc32)cc1[N+](=O)[O-] ZINC000475584791 996232025 /nfs/dbraw/zinc/23/20/25/996232025.db2.gz PKSXQEIVLPFPNT-IBGZPJMESA-N 1 0 414.458 3.665 20 5 HHBDRO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000475628613 996260475 /nfs/dbraw/zinc/26/04/75/996260475.db2.gz WQRBSAFGKGZGTN-UHFFFAOYSA-N 1 0 402.447 3.647 20 5 HHBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000483589145 996269882 /nfs/dbraw/zinc/26/98/82/996269882.db2.gz HQLSQITXVSOENO-FPOVZHCZSA-N 1 0 408.502 3.763 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000475643031 996271787 /nfs/dbraw/zinc/27/17/87/996271787.db2.gz WBMZGYHCADJNEL-UHFFFAOYSA-N 1 0 411.506 3.777 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@]3(CO)Cc3ccccc3)o2)c1 ZINC000475647401 996275187 /nfs/dbraw/zinc/27/51/87/996275187.db2.gz DUQBTGUGGOHFLG-QHCPKHFHSA-N 1 0 407.470 3.862 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000483623235 996292299 /nfs/dbraw/zinc/29/22/99/996292299.db2.gz JWXMAXZJFTVLIZ-HNNXBMFYSA-N 1 0 424.448 3.672 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000475713184 996316761 /nfs/dbraw/zinc/31/67/61/996316761.db2.gz IHAMFTYDUYTMFJ-IBGZPJMESA-N 1 0 402.438 3.620 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000475717987 996320768 /nfs/dbraw/zinc/32/07/68/996320768.db2.gz XFBKBSCVHKPWSY-WMLDXEAASA-N 1 0 402.422 3.664 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000475720734 996322439 /nfs/dbraw/zinc/32/24/39/996322439.db2.gz AWFOAFMRGGZUSA-RDTXWAMCSA-N 1 0 402.422 3.869 20 5 HHBDRO COc1c(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000475756587 996351905 /nfs/dbraw/zinc/35/19/05/996351905.db2.gz RFSGWRYLBJKTFH-UHFFFAOYSA-N 1 0 417.893 3.995 20 5 HHBDRO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000483909281 996463543 /nfs/dbraw/zinc/46/35/43/996463543.db2.gz YHLYSPDZNQANSE-LJQANCHMSA-N 1 0 404.442 3.946 20 5 HHBDRO CC(C)Oc1ccc([C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000483909280 996463602 /nfs/dbraw/zinc/46/36/02/996463602.db2.gz YHLYSPDZNQANSE-IBGZPJMESA-N 1 0 404.442 3.946 20 5 HHBDRO CSc1cccc(N(C(=O)COc2ccc([N+](=O)[O-])cc2)C2CC[NH+](C)CC2)c1 ZINC000484408972 996752368 /nfs/dbraw/zinc/75/23/68/996752368.db2.gz VZZQPDUYAIFTLJ-UHFFFAOYSA-N 1 0 415.515 3.823 20 5 HHBDRO CN(C(=O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000477050320 997691219 /nfs/dbraw/zinc/69/12/19/997691219.db2.gz MLGNFIICLFVMIY-XMMPIXPASA-N 1 0 422.529 3.546 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485353098 997775710 /nfs/dbraw/zinc/77/57/10/997775710.db2.gz UJENIJASAMGGLT-OFNKIYASSA-N 1 0 422.529 3.828 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485364078 997789414 /nfs/dbraw/zinc/78/94/14/997789414.db2.gz SCNZNZNZDSFERY-NZQKXSOJSA-N 1 0 422.529 3.828 20 5 HHBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@H]1[NH+]1CCCC1 ZINC000485399897 997830363 /nfs/dbraw/zinc/83/03/63/997830363.db2.gz CYFISEOMBJSBKW-QZTJIDSGSA-N 1 0 402.495 3.812 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000477261803 997938246 /nfs/dbraw/zinc/93/82/46/997938246.db2.gz BADWPTCFFOSORE-QFIPXVFZSA-N 1 0 406.486 3.645 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000477454048 998161298 /nfs/dbraw/zinc/16/12/98/998161298.db2.gz GVVURHMBSKKQSX-FQEVSTJZSA-N 1 0 415.465 3.628 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477493494 998215126 /nfs/dbraw/zinc/21/51/26/998215126.db2.gz WUBLELLHHOTXBI-BBATYDOGSA-N 1 0 424.835 3.531 20 5 HHBDRO CSc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1[N+](=O)[O-] ZINC000485748569 998220274 /nfs/dbraw/zinc/22/02/74/998220274.db2.gz ZZIGNBZPCNPONP-UHFFFAOYSA-N 1 0 400.504 3.629 20 5 HHBDRO O=C(C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000477510181 998230047 /nfs/dbraw/zinc/23/00/47/998230047.db2.gz QTVZUFVAIXWNQI-UHFFFAOYSA-N 1 0 423.347 3.560 20 5 HHBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485770936 998245429 /nfs/dbraw/zinc/24/54/29/998245429.db2.gz KKKIRJNKCXGKBQ-MRXNPFEDSA-N 1 0 419.428 3.790 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])c1 ZINC000485824772 998291272 /nfs/dbraw/zinc/29/12/72/998291272.db2.gz SMQPYUYKBIVDJN-LBPRGKRZSA-N 1 0 400.460 3.893 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1SC ZINC000486118380 998567116 /nfs/dbraw/zinc/56/71/16/998567116.db2.gz JZHBCJZUUXUGFT-KKUMJFAQSA-N 1 0 407.536 3.803 20 5 HHBDRO CSc1cccc(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000486231514 998664299 /nfs/dbraw/zinc/66/42/99/998664299.db2.gz MXQWFKJXWVPMEQ-UHFFFAOYSA-N 1 0 415.515 3.721 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000477933633 998666160 /nfs/dbraw/zinc/66/61/60/998666160.db2.gz TWFGBWTXLIEUSR-QZTJIDSGSA-N 1 0 417.506 3.995 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486430517 998763814 /nfs/dbraw/zinc/76/38/14/998763814.db2.gz IEZXCSSGAOEQSV-XMSQKQJNSA-N 1 0 405.458 3.902 20 5 HHBDRO C[C@H]1C[NH+](CCCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000486455972 998778005 /nfs/dbraw/zinc/77/80/05/998778005.db2.gz DHSDLYHVFRLNLK-IRXDYDNUSA-N 1 0 412.490 3.568 20 5 HHBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])cc2)CC1 ZINC000486478337 998787335 /nfs/dbraw/zinc/78/73/35/998787335.db2.gz KVCFPMDLUSNYGB-UHFFFAOYSA-N 1 0 414.531 3.707 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)c1cccc(OC)c1 ZINC000478288328 998866682 /nfs/dbraw/zinc/86/66/82/998866682.db2.gz XNUSCDSLZBHMDP-OAQYLSRUSA-N 1 0 414.506 3.794 20 5 HHBDRO Nc1c(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000486636366 998868894 /nfs/dbraw/zinc/86/88/94/998868894.db2.gz DJKCQIXXFNYJGP-UHFFFAOYSA-N 1 0 422.407 3.544 20 5 HHBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000478297490 998871918 /nfs/dbraw/zinc/87/19/18/998871918.db2.gz OPHJBEYBPDTRAB-SJORKVTESA-N 1 0 411.506 3.577 20 5 HHBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000486732321 998912983 /nfs/dbraw/zinc/91/29/83/998912983.db2.gz CACRRMXZSVEPFF-SFHVURJKSA-N 1 0 407.392 3.894 20 5 HHBDRO COC(=O)c1cc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c(C)c([N+](=O)[O-])c1 ZINC000486876549 998985935 /nfs/dbraw/zinc/98/59/35/998985935.db2.gz DJOWVSRJYCAYEG-UHFFFAOYSA-N 1 0 418.494 3.608 20 5 HHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000487039503 999045142 /nfs/dbraw/zinc/04/51/42/999045142.db2.gz JCKDNBVKPYXJFQ-HKUYNNGSSA-N 1 0 413.543 3.756 20 5 HHBDRO COc1cc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c([N+](=O)[O-])cc1OC ZINC000478614351 999047533 /nfs/dbraw/zinc/04/75/33/999047533.db2.gz ACXNMUNRAGJVET-MRXNPFEDSA-N 1 0 419.522 3.729 20 5 HHBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487297896 999127608 /nfs/dbraw/zinc/12/76/08/999127608.db2.gz MEWMTKWIOALUOP-SJLPKXTDSA-N 1 0 404.470 3.783 20 5 HHBDRO CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000487671772 999248769 /nfs/dbraw/zinc/24/87/69/999248769.db2.gz DBJHMLIAMCGKOA-MAUKXSAKSA-N 1 0 411.458 3.621 20 5 HHBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000487672907 999249106 /nfs/dbraw/zinc/24/91/06/999249106.db2.gz GDIJSFWXVXATIS-UHFFFAOYSA-N 1 0 419.428 3.838 20 5 HHBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000487730690 999269132 /nfs/dbraw/zinc/26/91/32/999269132.db2.gz VOFIADHNTZPBNF-UHFFFAOYSA-N 1 0 407.417 3.968 20 5 HHBDRO Cc1ccc(-n2cnc3c2CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C3)cc1 ZINC000487984355 999336614 /nfs/dbraw/zinc/33/66/14/999336614.db2.gz BGFQJJAIKIRFTN-UHFFFAOYSA-N 1 0 419.485 3.784 20 5 HHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000488010060 999346619 /nfs/dbraw/zinc/34/66/19/999346619.db2.gz AGJQXHGYWLLSKG-UHFFFAOYSA-N 1 0 404.898 3.742 20 5 HHBDRO Cc1c(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000479320302 999383387 /nfs/dbraw/zinc/38/33/87/999383387.db2.gz NHUVMSBAOAYDRC-VQIMIIECSA-N 1 0 402.520 3.847 20 5 HHBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000479442962 999419900 /nfs/dbraw/zinc/41/99/00/999419900.db2.gz FIDYSGQMGZDPOW-GOSISDBHSA-N 1 0 401.894 3.819 20 5 HHBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000479698303 999543243 /nfs/dbraw/zinc/54/32/43/999543243.db2.gz CCMGPTJMDARUGE-KRWDZBQOSA-N 1 0 414.506 3.746 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000488695802 999576528 /nfs/dbraw/zinc/57/65/28/999576528.db2.gz RZSAGXXLBIYLDJ-UHFFFAOYSA-N 1 0 420.469 3.585 20 5 HHBDRO CC(C)CCSc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000488779829 999605378 /nfs/dbraw/zinc/60/53/78/999605378.db2.gz VNKMDUWHESRAKX-KRWDZBQOSA-N 1 0 421.563 3.527 20 5 HHBDRO C[NH+]1CCC(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cn2)CC1 ZINC000489000136 999668542 /nfs/dbraw/zinc/66/85/42/999668542.db2.gz IQWOFUMQYBRYQJ-UHFFFAOYSA-N 1 0 424.379 3.734 20 5 HHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000489016090 999672531 /nfs/dbraw/zinc/67/25/31/999672531.db2.gz CMHYJALBQBFHRR-OAQYLSRUSA-N 1 0 422.485 3.535 20 5 HHBDRO COc1ccc(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000480317674 999770046 /nfs/dbraw/zinc/77/00/46/999770046.db2.gz HVPJQSIZLAXSOQ-IBGZPJMESA-N 1 0 416.478 3.815 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000489522540 999783568 /nfs/dbraw/zinc/78/35/68/999783568.db2.gz WBQGTLUAXNMOLZ-SFHVURJKSA-N 1 0 419.485 3.517 20 5 HHBDRO COc1cccc2c1CC[N@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])CC2 ZINC000489558599 999792060 /nfs/dbraw/zinc/79/20/60/999792060.db2.gz OPJSGNWOBKRRBD-UHFFFAOYSA-N 1 0 422.428 3.857 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)C1CC1 ZINC000480456591 999803467 /nfs/dbraw/zinc/80/34/67/999803467.db2.gz YZAFACIKVDSUKV-HNNXBMFYSA-N 1 0 405.380 3.767 20 5 HHBDRO C[C@@H](O)[C@](C)(C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000480460350 999804170 /nfs/dbraw/zinc/80/41/70/999804170.db2.gz KGALBVUAPUSULH-HXOBKFHXSA-N 1 0 408.502 3.715 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(F)cc1 ZINC000489707074 999821774 /nfs/dbraw/zinc/82/17/74/999821774.db2.gz DJEBJKBBLCZKRQ-HXUWFJFHSA-N 1 0 400.454 3.711 20 5 HHBDRO CCOC(=O)c1cc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccc1[N+](=O)[O-] ZINC000480558631 999826338 /nfs/dbraw/zinc/82/63/38/999826338.db2.gz VLBWFCGKDZARLJ-UHFFFAOYSA-N 1 0 415.412 3.989 20 5 HHBDRO CCC[C@@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000480630705 999845496 /nfs/dbraw/zinc/84/54/96/999845496.db2.gz NFHHRXHGKBOQJH-JOCHJYFZSA-N 1 0 410.518 3.613 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480685554 999858983 /nfs/dbraw/zinc/85/89/83/999858983.db2.gz AHTGZRJPGXXOGI-LHSJRXKWSA-N 1 0 411.437 3.564 20 5 HHBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000490360575 999944435 /nfs/dbraw/zinc/94/44/35/999944435.db2.gz DADXFYWDFPSBQQ-IBGZPJMESA-N 1 0 410.518 3.915 20 5 HHBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)CC1 ZINC000490400274 999951569 /nfs/dbraw/zinc/95/15/69/999951569.db2.gz NDQSVFTZYGVXRF-UHFFFAOYSA-N 1 0 422.529 3.930 20 5 HHBDRO CCCOc1cc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1OCCC ZINC000490790741 1000006446 /nfs/dbraw/zinc/00/64/46/1000006446.db2.gz FSXMTSOITRDYAT-QAPCUYQASA-N 1 0 420.510 3.730 20 5 HHBDRO CCCOc1cc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1OCCC ZINC000490790743 1000006515 /nfs/dbraw/zinc/00/65/15/1000006515.db2.gz FSXMTSOITRDYAT-YJBOKZPZSA-N 1 0 420.510 3.730 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000491322896 1000065192 /nfs/dbraw/zinc/06/51/92/1000065192.db2.gz LQEDYMYZTOVWQW-PXNSSMCTSA-N 1 0 408.502 3.932 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCCN(c3cc(OC)cc(OC)c3)CC2)ccc1[N+](=O)[O-] ZINC000492696206 1000139341 /nfs/dbraw/zinc/13/93/41/1000139341.db2.gz MSNAGGNXEPXUDL-UHFFFAOYSA-N 1 0 415.490 3.723 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000492913124 1000149370 /nfs/dbraw/zinc/14/93/70/1000149370.db2.gz RCXCHHMSCGTOHH-OTWHNJEPSA-N 1 0 405.539 3.554 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(OCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000492912923 1000149390 /nfs/dbraw/zinc/14/93/90/1000149390.db2.gz RCXCHHMSCGTOHH-FHWLQOOXSA-N 1 0 405.539 3.554 20 5 HHBDRO COc1ccc(CNCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])c(F)c1 ZINC000493767042 1000191330 /nfs/dbraw/zinc/19/13/30/1000191330.db2.gz RUWKMUOVYVTGBW-UHFFFAOYSA-N 1 0 400.353 3.685 20 5 HHBDRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000493932502 1000222254 /nfs/dbraw/zinc/22/22/54/1000222254.db2.gz BXUQTWSJTUZHEY-AEFFLSMTSA-N 1 0 411.792 3.585 20 5 HHBDRO O=C(C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000493932504 1000222375 /nfs/dbraw/zinc/22/23/75/1000222375.db2.gz BXUQTWSJTUZHEY-SJLPKXTDSA-N 1 0 411.792 3.585 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)cc1[N+](=O)[O-] ZINC000504899321 1000435836 /nfs/dbraw/zinc/43/58/36/1000435836.db2.gz DWUVTPRPRHXJAT-INIZCTEOSA-N 1 0 423.473 3.680 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000504905709 1000439481 /nfs/dbraw/zinc/43/94/81/1000439481.db2.gz MSHUGDBOIHPBAG-HNNXBMFYSA-N 1 0 409.533 3.627 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000504912283 1000443813 /nfs/dbraw/zinc/44/38/13/1000443813.db2.gz TWQPJSBPZMWQEE-YLJYHZDGSA-N 1 0 411.502 3.878 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000504925829 1000451964 /nfs/dbraw/zinc/45/19/64/1000451964.db2.gz FQXFUKQFQUIUTA-MRXNPFEDSA-N 1 0 423.560 3.506 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494497285 1000524739 /nfs/dbraw/zinc/52/47/39/1000524739.db2.gz WLNMQYMNRKDPQB-APWZRJJASA-N 1 0 417.849 3.666 20 5 HHBDRO CC1CC[NH+](C2CCC(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000505145278 1000576059 /nfs/dbraw/zinc/57/60/59/1000576059.db2.gz KKFRGQFWVNAKSF-UHFFFAOYSA-N 1 0 402.539 3.946 20 5 HHBDRO C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505573269 1000913707 /nfs/dbraw/zinc/91/37/07/1000913707.db2.gz AZYDATLKKNOWIG-SJCJKPOMSA-N 1 0 406.280 3.779 20 5 HHBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000505581223 1000919177 /nfs/dbraw/zinc/91/91/77/1000919177.db2.gz LOXBBSGIACEYPC-ORAYPTAESA-N 1 0 420.307 3.707 20 5 HHBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)C2)C1 ZINC000505607955 1000932213 /nfs/dbraw/zinc/93/22/13/1000932213.db2.gz NOKNBTZECFZMGD-HSZRJFAPSA-N 1 0 411.452 3.517 20 5 HHBDRO CC(C)CCSc1ccc(C(=O)NCC2([NH+](C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000506022139 1001169332 /nfs/dbraw/zinc/16/93/32/1001169332.db2.gz KNAPQFUDOITBNI-UHFFFAOYSA-N 1 0 409.552 3.574 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000506191485 1001269589 /nfs/dbraw/zinc/26/95/89/1001269589.db2.gz QHJOHKSYVOIXHD-UHFFFAOYSA-N 1 0 421.563 3.671 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000497433535 1001362694 /nfs/dbraw/zinc/36/26/94/1001362694.db2.gz YAYAYACRIXNBPW-LEWJYISDSA-N 1 0 422.529 3.659 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506468398 1001426409 /nfs/dbraw/zinc/42/64/09/1001426409.db2.gz DEPGGIUQOYCGIH-SQNIBIBYSA-N 1 0 418.538 3.517 20 5 HHBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497558054 1001434477 /nfs/dbraw/zinc/43/44/77/1001434477.db2.gz ILRLYBHURDDTKT-UHFFFAOYSA-N 1 0 402.539 3.871 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000497658398 1001475254 /nfs/dbraw/zinc/47/52/54/1001475254.db2.gz BRFIGQSRWLKBDX-UHFFFAOYSA-N 1 0 424.501 3.534 20 5 HHBDRO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506741940 1001510757 /nfs/dbraw/zinc/51/07/57/1001510757.db2.gz DCTIWVDAYYTERZ-UHFFFAOYSA-N 1 0 419.485 3.846 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1 ZINC000497888923 1001551953 /nfs/dbraw/zinc/55/19/53/1001551953.db2.gz HBIXCTQAORCAGL-UHFFFAOYSA-N 1 0 409.458 3.799 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000497981943 1001589558 /nfs/dbraw/zinc/58/95/58/1001589558.db2.gz HBMCDHXWQVSCTG-XLIONFOSSA-N 1 0 417.531 3.749 20 5 HHBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000498110828 1001645199 /nfs/dbraw/zinc/64/51/99/1001645199.db2.gz FFAXQXIRFMKIDR-KRWDZBQOSA-N 1 0 422.938 3.989 20 5 HHBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000498274301 1001748048 /nfs/dbraw/zinc/74/80/48/1001748048.db2.gz AQJZNMQAQZNENO-UHFFFAOYSA-N 1 0 418.497 3.924 20 5 HHBDRO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(Cl)c1OCC(N)=O ZINC000507174169 1001861623 /nfs/dbraw/zinc/86/16/23/1001861623.db2.gz QTYNJAQVIVEFDR-UHFFFAOYSA-N 1 0 421.881 3.532 20 5 HHBDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000507316792 1001996212 /nfs/dbraw/zinc/99/62/12/1001996212.db2.gz HRDFRPZOVAAOCF-MRXNPFEDSA-N 1 0 423.560 3.617 20 5 HHBDRO Cc1ccc(S(=O)(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c([N+](=O)[O-])c1 ZINC000507446231 1002076304 /nfs/dbraw/zinc/07/63/04/1002076304.db2.gz DQWOHMSYNJPZTM-KRWDZBQOSA-N 1 0 417.531 3.756 20 5 HHBDRO CC[N@H+](CCC1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1)CC(C)C ZINC000507944884 1002478216 /nfs/dbraw/zinc/47/82/16/1002478216.db2.gz IKTJBCMYZALRQV-UHFFFAOYSA-N 1 0 414.554 3.975 20 5 HHBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000508211391 1002742937 /nfs/dbraw/zinc/74/29/37/1002742937.db2.gz QGJDKUBXOACMOA-GOSISDBHSA-N 1 0 402.539 3.779 20 5 HHBDRO C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000500095003 1003456404 /nfs/dbraw/zinc/45/64/04/1003456404.db2.gz XEAKOYGVODPONO-QUCCMNQESA-N 1 0 410.518 3.908 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000500124406 1003486070 /nfs/dbraw/zinc/48/60/70/1003486070.db2.gz SKXGSPOHBKLGPL-MRXNPFEDSA-N 1 0 414.531 3.845 20 5 HHBDRO C[NH+](C)CCCC1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000500221173 1003561255 /nfs/dbraw/zinc/56/12/55/1003561255.db2.gz NOTPQMYIGRIDLQ-UHFFFAOYSA-N 1 0 402.520 3.912 20 5 HHBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000500424889 1003708305 /nfs/dbraw/zinc/70/83/05/1003708305.db2.gz MZPGGZJILKMYPZ-NRFANRHFSA-N 1 0 422.485 3.511 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000500441848 1003720393 /nfs/dbraw/zinc/72/03/93/1003720393.db2.gz ZEVMAUZBLSTSQQ-IRXDYDNUSA-N 1 0 404.470 3.878 20 5 HHBDRO Cc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000511826609 1003796961 /nfs/dbraw/zinc/79/69/61/1003796961.db2.gz QYDVIGDPYXWYKN-INIZCTEOSA-N 1 0 407.392 3.926 20 5 HHBDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000511830821 1003803769 /nfs/dbraw/zinc/80/37/69/1003803769.db2.gz SPCHPHVZNRGDOC-JFIYKMOQSA-N 1 0 409.442 3.530 20 5 HHBDRO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000511834369 1003810155 /nfs/dbraw/zinc/81/01/55/1003810155.db2.gz YMACZRFCYWTSMM-INIZCTEOSA-N 1 0 411.355 3.757 20 5 HHBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000500618960 1003835278 /nfs/dbraw/zinc/83/52/78/1003835278.db2.gz RRSFCWKOHDGFOP-RBSFLKMASA-N 1 0 402.520 3.815 20 5 HHBDRO CC(C)[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1CCC(C)CC1 ZINC000509446296 1003867947 /nfs/dbraw/zinc/86/79/47/1003867947.db2.gz FQYOIPJQGMNLIX-QFIPXVFZSA-N 1 0 416.566 3.684 20 5 HHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000509450637 1003871416 /nfs/dbraw/zinc/87/14/16/1003871416.db2.gz GEIOCWOQCPEAKB-NRFANRHFSA-N 1 0 411.502 3.852 20 5 HHBDRO O=C(CCCc1ccccc1)N1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000500691638 1003899561 /nfs/dbraw/zinc/89/95/61/1003899561.db2.gz WWXXCZYWYGJSDU-UHFFFAOYSA-N 1 0 411.502 3.531 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000500758880 1003940309 /nfs/dbraw/zinc/94/03/09/1003940309.db2.gz NGPVZMQOTJCWEW-KRWDZBQOSA-N 1 0 424.501 3.585 20 5 HHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ncc(I)s2)cc1 ZINC000511996828 1003943116 /nfs/dbraw/zinc/94/31/16/1003943116.db2.gz LWENFEWTZDZPIB-UHFFFAOYSA-N 1 0 417.272 3.768 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(OC)c1 ZINC000512076143 1004003540 /nfs/dbraw/zinc/00/35/40/1004003540.db2.gz LGUXKIJDPRZXPE-FQEVSTJZSA-N 1 0 410.474 3.898 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000509655175 1004007716 /nfs/dbraw/zinc/00/77/16/1004007716.db2.gz YSXRNOIARPJSIH-UHFFFAOYSA-N 1 0 410.312 3.756 20 5 HHBDRO Cc1c(Br)cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000509694935 1004034902 /nfs/dbraw/zinc/03/49/02/1004034902.db2.gz DISWWMOXTFLXHO-HNNXBMFYSA-N 1 0 412.309 3.760 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)o2)cc1 ZINC000512295762 1004199642 /nfs/dbraw/zinc/19/96/42/1004199642.db2.gz VMUCDWSITKRGAB-QHCPKHFHSA-N 1 0 419.485 3.743 20 5 HHBDRO C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000501247162 1004311415 /nfs/dbraw/zinc/31/14/15/1004311415.db2.gz INKLXLDVXRMHIS-IFXJQAMLSA-N 1 0 404.898 3.781 20 5 HHBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000501374979 1004374655 /nfs/dbraw/zinc/37/46/55/1004374655.db2.gz YGUHPMFUTKVOTQ-DYESRHJHSA-N 1 0 419.485 3.598 20 5 HHBDRO C[C@H]1C[C@H](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000510191301 1004385949 /nfs/dbraw/zinc/38/59/49/1004385949.db2.gz IDQMRGSSBWPLSK-ICSRJNTNSA-N 1 0 411.502 3.781 20 5 HHBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000510245000 1004421978 /nfs/dbraw/zinc/42/19/78/1004421978.db2.gz SPPLNIHETVCGMN-XJKSGUPXSA-N 1 0 417.462 3.689 20 5 HHBDRO C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512697351 1004501487 /nfs/dbraw/zinc/50/14/87/1004501487.db2.gz AQQQLCOFPQWIPB-IRXDYDNUSA-N 1 0 400.523 3.922 20 5 HHBDRO C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512698207 1004502315 /nfs/dbraw/zinc/50/23/15/1004502315.db2.gz HKPHYCBODLPAEZ-STQMWFEESA-N 1 0 412.437 3.971 20 5 HHBDRO COc1cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000510469486 1004587979 /nfs/dbraw/zinc/58/79/79/1004587979.db2.gz NZQXJYVBFGHGCF-OAHLLOKOSA-N 1 0 417.428 3.605 20 5 HHBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[NH+](C)C ZINC000510538563 1004671074 /nfs/dbraw/zinc/67/10/74/1004671074.db2.gz KUBUCIPQOBXJQZ-HRAATJIYSA-N 1 0 407.474 3.510 20 5 HHBDRO COc1cc(CN2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000513041043 1004773243 /nfs/dbraw/zinc/77/32/43/1004773243.db2.gz MXBHHRRZVXWVOU-UHFFFAOYSA-N 1 0 405.417 3.507 20 5 HHBDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)s1 ZINC000513065629 1004787626 /nfs/dbraw/zinc/78/76/26/1004787626.db2.gz XCVQTBPNLJNOTL-OLZOCXBDSA-N 1 0 405.524 3.885 20 5 HHBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c1 ZINC000510773892 1004845085 /nfs/dbraw/zinc/84/50/85/1004845085.db2.gz LFHUTUBZTCAMTG-INIZCTEOSA-N 1 0 402.499 3.567 20 5 HHBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000510816625 1004870948 /nfs/dbraw/zinc/87/09/48/1004870948.db2.gz VPVAMKICDIFIKT-SFHVURJKSA-N 1 0 402.520 3.901 20 5 HHBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000510820524 1004873751 /nfs/dbraw/zinc/87/37/51/1004873751.db2.gz KLDIRAAFRZXLMX-UHFFFAOYSA-N 1 0 410.518 3.965 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000513302239 1004903048 /nfs/dbraw/zinc/90/30/48/1004903048.db2.gz SZBLPHFHWVHWBR-FQEVSTJZSA-N 1 0 408.502 3.589 20 5 HHBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000510883334 1004909762 /nfs/dbraw/zinc/90/97/62/1004909762.db2.gz OUYSKYPTWPSUAW-UHFFFAOYSA-N 1 0 414.481 3.582 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCCN(c3ccccc3F)CC2)cccc1[N+](=O)[O-] ZINC000513371711 1004931087 /nfs/dbraw/zinc/93/10/87/1004931087.db2.gz PXTYOZVUWVFJPU-UHFFFAOYSA-N 1 0 400.454 3.583 20 5 HHBDRO O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000510929528 1004938696 /nfs/dbraw/zinc/93/86/96/1004938696.db2.gz MMAIKWSHCOIYNS-RCZSKKKRSA-N 1 0 423.513 3.576 20 5 HHBDRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000513441503 1004967581 /nfs/dbraw/zinc/96/75/81/1004967581.db2.gz BBYNAWANVGSIOJ-QGZVFWFLSA-N 1 0 418.881 3.527 20 5 HHBDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])s2)ccc1Cl ZINC000511186771 1005065362 /nfs/dbraw/zinc/06/53/62/1005065362.db2.gz JITHBDXGNBFOIQ-UHFFFAOYSA-N 1 0 424.910 3.634 20 5 HHBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513699885 1005087625 /nfs/dbraw/zinc/08/76/25/1005087625.db2.gz QCUFWDPRCZVUDW-UHFFFAOYSA-N 1 0 419.428 3.633 20 5 HHBDRO C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511253266 1005093151 /nfs/dbraw/zinc/09/31/51/1005093151.db2.gz NPCMTWCOTZIOMQ-RBUKOAKNSA-N 1 0 417.553 3.924 20 5 HHBDRO CCOc1cc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])cc1OCC ZINC000511282363 1005106202 /nfs/dbraw/zinc/10/62/02/1005106202.db2.gz APZRRFHWFGHFOM-UHFFFAOYSA-N 1 0 408.499 3.777 20 5 HHBDRO Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000513788097 1005127487 /nfs/dbraw/zinc/12/74/87/1005127487.db2.gz KWYJUNNQHOUSLO-VCOUNFBDSA-N 1 0 413.518 3.871 20 5 HHBDRO O=C(C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000502592409 1005131923 /nfs/dbraw/zinc/13/19/23/1005131923.db2.gz FRPQPDCICKKZSD-IBGZPJMESA-N 1 0 424.284 3.832 20 5 HHBDRO C[C@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000513820293 1005143688 /nfs/dbraw/zinc/14/36/88/1005143688.db2.gz MRRBNWUAJPWOOX-KRWDZBQOSA-N 1 0 413.543 3.997 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000513828934 1005148943 /nfs/dbraw/zinc/14/89/43/1005148943.db2.gz SHSHNBZWMMVVPO-FJIJXJHWSA-N 1 0 409.530 3.533 20 5 HHBDRO Cc1c(NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cccc1[N+](=O)[O-] ZINC000502702768 1005185514 /nfs/dbraw/zinc/18/55/14/1005185514.db2.gz CZVOKVCBKKGWJY-KRWDZBQOSA-N 1 0 412.490 3.925 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000511519611 1005208874 /nfs/dbraw/zinc/20/88/74/1005208874.db2.gz BFAUHJUUQRRUDK-SFHVURJKSA-N 1 0 402.495 3.952 20 5 HHBDRO COc1ccc(CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000502809250 1005226690 /nfs/dbraw/zinc/22/66/90/1005226690.db2.gz BKKGKOCIWWAKMP-OAHLLOKOSA-N 1 0 400.479 3.532 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)o2)cc1 ZINC000511679605 1005273463 /nfs/dbraw/zinc/27/34/63/1005273463.db2.gz FIXHOHNIWMRCIP-HSALFYBXSA-N 1 0 406.442 3.649 20 5 HHBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514159968 1005293877 /nfs/dbraw/zinc/29/38/77/1005293877.db2.gz JFODYCYUDLRYKQ-MRXNPFEDSA-N 1 0 405.401 3.763 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503408520 1005410921 /nfs/dbraw/zinc/41/09/21/1005410921.db2.gz QZUWMJOJLZFFST-UHFFFAOYSA-N 1 0 408.502 3.759 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000503940604 1005516081 /nfs/dbraw/zinc/51/60/81/1005516081.db2.gz AZLAZVFIWJGGHZ-LAUBAEHRSA-N 1 0 420.469 3.505 20 5 HHBDRO CCCOc1cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OCCC ZINC000504357783 1005606041 /nfs/dbraw/zinc/60/60/41/1005606041.db2.gz NQVYNPYNOIZLLK-HOTGVXAUSA-N 1 0 420.510 3.921 20 5 HHBDRO CCOc1cc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1OCC ZINC000514543196 1006029390 /nfs/dbraw/zinc/02/93/90/1006029390.db2.gz STGBEFBDSCUMSU-SFHVURJKSA-N 1 0 416.478 3.817 20 5 HHBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000534105183 1006080424 /nfs/dbraw/zinc/08/04/24/1006080424.db2.gz BAKYLUWEJGMPEB-UHFFFAOYSA-N 1 0 420.469 3.986 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000514761505 1006113818 /nfs/dbraw/zinc/11/38/18/1006113818.db2.gz UMYWYSHGNJILOD-HXUWFJFHSA-N 1 0 420.513 3.968 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000514821016 1006153184 /nfs/dbraw/zinc/15/31/84/1006153184.db2.gz YFTDTGNKKXTFML-MSOLQXFVSA-N 1 0 410.474 3.589 20 5 HHBDRO COc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])ccc1OCc1ccncc1 ZINC000514891548 1006190571 /nfs/dbraw/zinc/19/05/71/1006190571.db2.gz UUBHJOLOTTXHCF-UHFFFAOYSA-N 1 0 408.458 3.543 20 5 HHBDRO CCOCCC1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000514946369 1006212853 /nfs/dbraw/zinc/21/28/53/1006212853.db2.gz SSPVRFBTWRURID-UHFFFAOYSA-N 1 0 418.275 3.886 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534222734 1006217768 /nfs/dbraw/zinc/21/77/68/1006217768.db2.gz SUQVNRKTDDHOMP-VLIAUNLRSA-N 1 0 421.856 3.575 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534222732 1006217924 /nfs/dbraw/zinc/21/79/24/1006217924.db2.gz SUQVNRKTDDHOMP-JLTOFOAXSA-N 1 0 421.856 3.575 20 5 HHBDRO COc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000534225277 1006221602 /nfs/dbraw/zinc/22/16/02/1006221602.db2.gz CSTJIAUFRMLEBU-KUHUBIRLSA-N 1 0 421.856 3.819 20 5 HHBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000531501472 1006234497 /nfs/dbraw/zinc/23/44/97/1006234497.db2.gz FIXZLFQDRQZKTB-UHFFFAOYSA-N 1 0 424.501 3.981 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1O ZINC000534239802 1006245207 /nfs/dbraw/zinc/24/52/07/1006245207.db2.gz GMBZOLYLUSMDDK-RNODOKPDSA-N 1 0 423.872 3.884 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)c(C)c2)CC1 ZINC000534250105 1006257145 /nfs/dbraw/zinc/25/71/45/1006257145.db2.gz VDGKYHCWKZXSLS-UHFFFAOYSA-N 1 0 407.474 3.779 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000531556460 1006271661 /nfs/dbraw/zinc/27/16/61/1006271661.db2.gz QBDOYRIBTMTFKK-OXJNMPFZSA-N 1 0 411.502 3.755 20 5 HHBDRO C[C@H](Cc1ccsc1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000515096497 1006287100 /nfs/dbraw/zinc/28/71/00/1006287100.db2.gz LWLQWSRRSSUJCF-SNVBAGLBSA-N 1 0 402.257 3.982 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000534329308 1006302155 /nfs/dbraw/zinc/30/21/55/1006302155.db2.gz XWODQJKXNKGIQQ-YZZKKUAISA-N 1 0 413.518 3.934 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000515526381 1006515727 /nfs/dbraw/zinc/51/57/27/1006515727.db2.gz HGYAGPOZXQVNGD-KRWDZBQOSA-N 1 0 417.531 3.756 20 5 HHBDRO COCC(=O)N1CCC([NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000531973644 1006554637 /nfs/dbraw/zinc/55/46/37/1006554637.db2.gz NHPQHIBPLFOIHJ-CQSZACIVSA-N 1 0 403.504 3.611 20 5 HHBDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cc4ccccc4c4cccnc34)C2)CC1 ZINC000532093504 1006628217 /nfs/dbraw/zinc/62/82/17/1006628217.db2.gz OJKTUKSFMAPSMX-FQEVSTJZSA-N 1 0 402.542 3.629 20 5 HHBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000534693802 1006676750 /nfs/dbraw/zinc/67/67/50/1006676750.db2.gz ZQIHUEANZGZWJR-IBGZPJMESA-N 1 0 420.513 3.989 20 5 HHBDRO Cn1cc(C[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538427152 1006693496 /nfs/dbraw/zinc/69/34/96/1006693496.db2.gz ZHMUAUFVSSOSNV-NRFANRHFSA-N 1 0 408.502 3.887 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+]CC3(CO)CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000538427084 1006693698 /nfs/dbraw/zinc/69/36/98/1006693698.db2.gz XRPUNWFUQOXANM-UHFFFAOYSA-N 1 0 402.516 3.933 20 5 HHBDRO CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000534708118 1006695723 /nfs/dbraw/zinc/69/57/23/1006695723.db2.gz CAJKGSLSDQSKPZ-UHFFFAOYSA-N 1 0 422.485 3.756 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1 ZINC000532328674 1006796368 /nfs/dbraw/zinc/79/63/68/1006796368.db2.gz COKOGVXTWYKUBY-LJQANCHMSA-N 1 0 414.469 3.818 20 5 HHBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000532512063 1006950329 /nfs/dbraw/zinc/95/03/29/1006950329.db2.gz ZTMLDVUFDJLNER-FUHWJXTLSA-N 1 0 414.506 3.809 20 5 HHBDRO CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000538736191 1007019065 /nfs/dbraw/zinc/01/90/65/1007019065.db2.gz HCRSVLQLBWHIFH-SFHVURJKSA-N 1 0 406.490 3.985 20 5 HHBDRO C[N@@H+]1CC[C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534972038 1007029557 /nfs/dbraw/zinc/02/95/57/1007029557.db2.gz QJEHQWAJXNELSM-ACJLOTCBSA-N 1 0 406.845 3.591 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCC[N@H+](C)C(C)C)cc1 ZINC000516384232 1007053854 /nfs/dbraw/zinc/05/38/54/1007053854.db2.gz QYLVTDNPAVRJRS-UHFFFAOYSA-N 1 0 401.463 3.856 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000538782265 1007063681 /nfs/dbraw/zinc/06/36/81/1007063681.db2.gz BSGSPSTUIFCMMI-QGZVFWFLSA-N 1 0 414.481 3.750 20 5 HHBDRO COC[C@@H]([NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000532737656 1007147926 /nfs/dbraw/zinc/14/79/26/1007147926.db2.gz VMHMWFMLRNNLDL-MOPGFXCFSA-N 1 0 403.866 3.943 20 5 HHBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C2)CC1 ZINC000535141195 1007179694 /nfs/dbraw/zinc/17/96/94/1007179694.db2.gz JBPQUKQANKGGMY-MRXNPFEDSA-N 1 0 400.504 3.522 20 5 HHBDRO COc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)ccc1OCc1ccc(Cl)cc1 ZINC000532866062 1007254412 /nfs/dbraw/zinc/25/44/12/1007254412.db2.gz OAGGCXHRIZCPDF-UHFFFAOYSA-N 1 0 416.865 3.822 20 5 HHBDRO COc1cccc(N2CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 ZINC000532901695 1007278158 /nfs/dbraw/zinc/27/81/58/1007278158.db2.gz UIDYKHIDXWJIRU-UHFFFAOYSA-N 1 0 408.458 3.623 20 5 HHBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccc(Br)cc1 ZINC000532903410 1007279562 /nfs/dbraw/zinc/27/95/62/1007279562.db2.gz DWWOZIBQKGSPIS-UHFFFAOYSA-N 1 0 420.263 3.787 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cccc(Br)c1 ZINC000532930080 1007303153 /nfs/dbraw/zinc/30/31/53/1007303153.db2.gz PSVROXWUYNSHKB-UHFFFAOYSA-N 1 0 422.279 3.827 20 5 HHBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(OC)cc1OC ZINC000532935268 1007307686 /nfs/dbraw/zinc/30/76/86/1007307686.db2.gz TYUGKRZLKPSQKN-UHFFFAOYSA-N 1 0 401.463 3.771 20 5 HHBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000532954754 1007322357 /nfs/dbraw/zinc/32/23/57/1007322357.db2.gz YOSRSPJQDPEYKS-SIKLNZKXSA-N 1 0 408.502 3.753 20 5 HHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000532954753 1007322487 /nfs/dbraw/zinc/32/24/87/1007322487.db2.gz YOSRSPJQDPEYKS-KNQAVFIVSA-N 1 0 408.502 3.753 20 5 HHBDRO Cc1c([C@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000539044696 1007341563 /nfs/dbraw/zinc/34/15/63/1007341563.db2.gz UJYHUCBELHKLAG-KRWDZBQOSA-N 1 0 417.531 3.680 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCC(OCCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000532976151 1007345417 /nfs/dbraw/zinc/34/54/17/1007345417.db2.gz APLZGGTVFLQSEO-UHFFFAOYSA-N 1 0 411.502 3.956 20 5 HHBDRO CC(C)([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000516993298 1007361870 /nfs/dbraw/zinc/36/18/70/1007361870.db2.gz UEOBDXIUFVYWNC-UHFFFAOYSA-N 1 0 416.421 3.912 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000533012217 1007375708 /nfs/dbraw/zinc/37/57/08/1007375708.db2.gz MPWFHFILFLVCSK-DOTOQJQBSA-N 1 0 413.499 3.824 20 5 HHBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000535349588 1007404384 /nfs/dbraw/zinc/40/43/84/1007404384.db2.gz KFCYMMHVKXCFGA-UHFFFAOYSA-N 1 0 410.449 3.539 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000539121977 1007410567 /nfs/dbraw/zinc/41/05/67/1007410567.db2.gz LLQHRUVRJKPUML-XLIONFOSSA-N 1 0 411.502 3.878 20 5 HHBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000535356576 1007414059 /nfs/dbraw/zinc/41/40/59/1007414059.db2.gz WIBAQHYRCJWZCU-UHFFFAOYSA-N 1 0 420.513 3.989 20 5 HHBDRO COc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000533075166 1007438755 /nfs/dbraw/zinc/43/87/55/1007438755.db2.gz OGFNDHMHYLAQGJ-BBRMVZONSA-N 1 0 411.449 3.654 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1)CC(C)C ZINC000539179415 1007478203 /nfs/dbraw/zinc/47/82/03/1007478203.db2.gz UWOVSRMGVIPWIW-UHFFFAOYSA-N 1 0 420.554 3.893 20 5 HHBDRO C[C@H](NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000517185633 1007491261 /nfs/dbraw/zinc/49/12/61/1007491261.db2.gz SSTSPWUNRZERGV-IRXDYDNUSA-N 1 0 424.501 3.643 20 5 HHBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000533194355 1007530099 /nfs/dbraw/zinc/53/00/99/1007530099.db2.gz RRXCZPFZXPBOGJ-PZJWPPBQSA-N 1 0 408.502 3.763 20 5 HHBDRO Cc1ccccc1C[NH+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000533215841 1007541209 /nfs/dbraw/zinc/54/12/09/1007541209.db2.gz XSCZMYRQBOGRHV-UHFFFAOYSA-N 1 0 406.486 3.919 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000533270680 1007585094 /nfs/dbraw/zinc/58/50/94/1007585094.db2.gz GJSUJTFFDHZEKV-ROUUACIJSA-N 1 0 418.538 3.518 20 5 HHBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000539322642 1007622062 /nfs/dbraw/zinc/62/20/62/1007622062.db2.gz FSJKHQJUEULXIP-UHFFFAOYSA-N 1 0 423.391 3.823 20 5 HHBDRO COc1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000517405736 1007630873 /nfs/dbraw/zinc/63/08/73/1007630873.db2.gz AVRYJEQAGJULQK-IBGZPJMESA-N 1 0 412.433 3.638 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000533346574 1007654399 /nfs/dbraw/zinc/65/43/99/1007654399.db2.gz OTCGUKAUFUTCEL-MRXNPFEDSA-N 1 0 405.495 3.676 20 5 HHBDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000533364649 1007671565 /nfs/dbraw/zinc/67/15/65/1007671565.db2.gz WCXSEUVAWOMLCG-SFHVURJKSA-N 1 0 412.490 3.816 20 5 HHBDRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(-c2ccccc2F)n1 ZINC000539380229 1007684567 /nfs/dbraw/zinc/68/45/67/1007684567.db2.gz NPNCDJFGDPTHRM-HNNXBMFYSA-N 1 0 411.437 3.826 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000539379511 1007684700 /nfs/dbraw/zinc/68/47/00/1007684700.db2.gz DZJVHEFLUHKQRG-HZPDHXFCSA-N 1 0 412.490 3.881 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(OCc4cccnc4)cc3)C2)nc1 ZINC000533381024 1007693183 /nfs/dbraw/zinc/69/31/83/1007693183.db2.gz ULHPEYMSUDTOQY-IBGZPJMESA-N 1 0 405.458 3.650 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000533387712 1007701111 /nfs/dbraw/zinc/70/11/11/1007701111.db2.gz OFDQEXVVAJDGAX-UHFFFAOYSA-N 1 0 407.474 3.988 20 5 HHBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000535695409 1007730844 /nfs/dbraw/zinc/73/08/44/1007730844.db2.gz ZCAMVHAVJQZWRY-UHFFFAOYSA-N 1 0 400.401 3.813 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CCN(c4ccccc4)CC3)o2)cc1 ZINC000517540784 1007756370 /nfs/dbraw/zinc/75/63/70/1007756370.db2.gz MYKJBRCZCLBONV-UHFFFAOYSA-N 1 0 406.486 3.767 20 5 HHBDRO Cn1ccnc1COc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000533446834 1007761657 /nfs/dbraw/zinc/76/16/57/1007761657.db2.gz JTYSLXRIECXEHI-UHFFFAOYSA-N 1 0 422.485 3.951 20 5 HHBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc2cc(Cl)ccc2o1 ZINC000539510166 1007819911 /nfs/dbraw/zinc/81/99/11/1007819911.db2.gz OXFMKHPNTJXIBS-GFCCVEGCSA-N 1 0 423.878 3.624 20 5 HHBDRO O=C(NC[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1)Nc1cccc(F)c1 ZINC000533508026 1007824174 /nfs/dbraw/zinc/82/41/74/1007824174.db2.gz NUQHPWMZCXENLH-MRXNPFEDSA-N 1 0 416.453 3.646 20 5 HHBDRO CCOc1cc(C[N@H+]2[C@H](C)CC[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000535820473 1007831949 /nfs/dbraw/zinc/83/19/49/1007831949.db2.gz ZTJTZXGWHOCIJZ-IYBDPMFKSA-N 1 0 402.495 3.950 20 5 HHBDRO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000533649342 1007959567 /nfs/dbraw/zinc/95/95/67/1007959567.db2.gz MLLRLOWYSXNEDN-RBUKOAKNSA-N 1 0 422.957 3.657 20 5 HHBDRO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccccc1Br ZINC000533800005 1008119749 /nfs/dbraw/zinc/11/97/49/1008119749.db2.gz HAXSFIITGFEMCX-UHFFFAOYSA-N 1 0 404.264 3.744 20 5 HHBDRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539829637 1008123586 /nfs/dbraw/zinc/12/35/86/1008123586.db2.gz PXURCISZCVOVLJ-UZLBHIALSA-N 1 0 400.475 3.918 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCSC[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000539831984 1008125153 /nfs/dbraw/zinc/12/51/53/1008125153.db2.gz ONZQDDAOEDTOPH-OAHLLOKOSA-N 1 0 420.535 3.515 20 5 HHBDRO COc1ccc(-c2ccc(C[N@H+](CC(C)(C)O)C3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000539837228 1008129186 /nfs/dbraw/zinc/12/91/86/1008129186.db2.gz KJCAPJCFMLKZOE-UHFFFAOYSA-N 1 0 404.463 3.615 20 5 HHBDRO COc1cc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000518061648 1008137572 /nfs/dbraw/zinc/13/75/72/1008137572.db2.gz IQIXUULXBWNFAN-AWEZNQCLSA-N 1 0 410.421 3.564 20 5 HHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000533828965 1008139063 /nfs/dbraw/zinc/13/90/63/1008139063.db2.gz YSLLOQOLNUQESL-ZFWWWQNUSA-N 1 0 409.450 3.512 20 5 HHBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000518127744 1008172752 /nfs/dbraw/zinc/17/27/52/1008172752.db2.gz KGPCCEDBNAOMNU-UHFFFAOYSA-N 1 0 411.527 3.736 20 5 HHBDRO CCNc1ccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000539979823 1008218470 /nfs/dbraw/zinc/21/84/70/1008218470.db2.gz ULEIECJSUOXSPQ-UHFFFAOYSA-N 1 0 411.506 3.800 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1c1cccs1 ZINC000533939727 1008220253 /nfs/dbraw/zinc/22/02/53/1008220253.db2.gz TXHPJTNAHWMPMF-SPLOXXLWSA-N 1 0 412.515 3.879 20 5 HHBDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)nc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000518268225 1008234158 /nfs/dbraw/zinc/23/41/58/1008234158.db2.gz HYQACBURQIFDSJ-UHFFFAOYSA-N 1 0 422.485 3.933 20 5 HHBDRO COc1cc(CNCC[NH+]2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000518286527 1008239738 /nfs/dbraw/zinc/23/97/38/1008239738.db2.gz DTBSZSIBPIQOOZ-KBPBESRZSA-N 1 0 419.444 3.897 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000518620658 1008368398 /nfs/dbraw/zinc/36/83/98/1008368398.db2.gz VVCSOWKXGWFGDC-PKOBYXMFSA-N 1 0 400.523 3.532 20 5 HHBDRO O=C(C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000540408938 1008420824 /nfs/dbraw/zinc/42/08/24/1008420824.db2.gz LWHTVJLHVFSNOW-NRFANRHFSA-N 1 0 415.421 3.922 20 5 HHBDRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000518790036 1008421768 /nfs/dbraw/zinc/42/17/68/1008421768.db2.gz SHLOZYRXGWQAEP-UHFFFAOYSA-N 1 0 414.437 3.801 20 5 HHBDRO CCCc1n[nH]c(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000518827956 1008436387 /nfs/dbraw/zinc/43/63/87/1008436387.db2.gz ZVYVEDPFXXSWCN-OAHLLOKOSA-N 1 0 405.524 3.535 20 5 HHBDRO COc1ccc(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000542964653 1008537429 /nfs/dbraw/zinc/53/74/29/1008537429.db2.gz KVSXFNWGVBYKTC-HZPDHXFCSA-N 1 0 412.490 3.882 20 5 HHBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000549097511 1008662602 /nfs/dbraw/zinc/66/26/02/1008662602.db2.gz DSNZQRWCXRODAA-GOSISDBHSA-N 1 0 412.538 3.966 20 5 HHBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000549105663 1008670419 /nfs/dbraw/zinc/67/04/19/1008670419.db2.gz FANFWTPERJIGHX-PXNSSMCTSA-N 1 0 416.547 3.923 20 5 HHBDRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)CC1 ZINC000549158719 1008728897 /nfs/dbraw/zinc/72/88/97/1008728897.db2.gz QWNYGKQVTLRHEM-UHFFFAOYSA-N 1 0 420.517 3.868 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549163136 1008734263 /nfs/dbraw/zinc/73/42/63/1008734263.db2.gz YFDBDPLKQKTRCO-NRFANRHFSA-N 1 0 410.518 3.732 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549165501 1008737478 /nfs/dbraw/zinc/73/74/78/1008737478.db2.gz KOFGFAHMYAPCDV-NRFANRHFSA-N 1 0 410.518 3.732 20 5 HHBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543264740 1008837867 /nfs/dbraw/zinc/83/78/67/1008837867.db2.gz GJPRMJQKVULUAW-MRXNPFEDSA-N 1 0 405.907 3.731 20 5 HHBDRO C[NH+](C)CCOc1cc(-c2noc(-c3cc4cc([N+](=O)[O-])ccc4s3)n2)ccn1 ZINC000545763238 1008851416 /nfs/dbraw/zinc/85/14/16/1008851416.db2.gz RULCETKWSNPRFI-UHFFFAOYSA-N 1 0 411.443 3.862 20 5 HHBDRO O=[N+]([O-])c1cccc(OCCN2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)c1 ZINC000519594171 1008924637 /nfs/dbraw/zinc/92/46/37/1008924637.db2.gz ZNTCVFUGEFWIFV-AWEZNQCLSA-N 1 0 400.357 3.689 20 5 HHBDRO COc1cc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543410499 1009004232 /nfs/dbraw/zinc/00/42/32/1009004232.db2.gz SYNWYCFZJXCVLN-OLZOCXBDSA-N 1 0 406.401 3.839 20 5 HHBDRO COCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000543539033 1009130451 /nfs/dbraw/zinc/13/04/51/1009130451.db2.gz YGATXWQXPIHHJL-UHFFFAOYSA-N 1 0 421.563 3.718 20 5 HHBDRO C[NH+](C)C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000549615786 1009243388 /nfs/dbraw/zinc/24/33/88/1009243388.db2.gz GNGNCSQPQKCDTR-CQSZACIVSA-N 1 0 413.808 3.882 20 5 HHBDRO C[NH+](C)C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000549616430 1009244668 /nfs/dbraw/zinc/24/46/68/1009244668.db2.gz BUNPYDVHCQTLSW-GOSISDBHSA-N 1 0 400.866 3.622 20 5 HHBDRO CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546225723 1009253157 /nfs/dbraw/zinc/25/31/57/1009253157.db2.gz UZYIIWUSONCNJV-HXUWFJFHSA-N 1 0 407.474 3.741 20 5 HHBDRO O=[N+]([O-])c1cc2c(cc1Cc1nc(-c3ccccc3C[NH+]3CCCC3)no1)OCCO2 ZINC000546234905 1009258438 /nfs/dbraw/zinc/25/84/38/1009258438.db2.gz SQLNXQDBVGDJTH-UHFFFAOYSA-N 1 0 422.441 3.603 20 5 HHBDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000520207896 1009342164 /nfs/dbraw/zinc/34/21/64/1009342164.db2.gz PVUWPLIWYDBYRZ-LBPRGKRZSA-N 1 0 405.252 3.992 20 5 HHBDRO CC(C)[C@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000520211076 1009344272 /nfs/dbraw/zinc/34/42/72/1009344272.db2.gz XIKZKCVHZCZRLW-NRFANRHFSA-N 1 0 417.481 3.973 20 5 HHBDRO C[C@H]([NH2+]C1(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCCC1)c1ccccc1 ZINC000520267130 1009384767 /nfs/dbraw/zinc/38/47/67/1009384767.db2.gz WMZDYFATUPLYDK-KRWDZBQOSA-N 1 0 417.531 3.678 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)c1 ZINC000520524005 1009614050 /nfs/dbraw/zinc/61/40/50/1009614050.db2.gz XMFPVKWBIAHOSZ-HOCLYGCPSA-N 1 0 408.857 3.834 20 5 HHBDRO COc1cc(OCc2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)ccc1[N+](=O)[O-] ZINC000546956623 1009914767 /nfs/dbraw/zinc/91/47/67/1009914767.db2.gz RJIBYPJVXAOIOR-UHFFFAOYSA-N 1 0 410.430 3.828 20 5 HHBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000544404500 1010023971 /nfs/dbraw/zinc/02/39/71/1010023971.db2.gz BPONNUPXHCRBFF-UHFFFAOYSA-N 1 0 400.357 3.802 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000550559027 1010027002 /nfs/dbraw/zinc/02/70/02/1010027002.db2.gz CURPYRCQRMVOGP-UHFFFAOYSA-N 1 0 406.280 3.528 20 5 HHBDRO COc1cc(OCC(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000521003272 1010041044 /nfs/dbraw/zinc/04/10/44/1010041044.db2.gz DYCLCFTVWRVJEO-UHFFFAOYSA-N 1 0 413.474 3.997 20 5 HHBDRO C[C@@H](c1nc(-c2ccccc2OCC[NH+](C)C)no1)c1ccc([N+](=O)[O-])cc1F ZINC000547100897 1010051471 /nfs/dbraw/zinc/05/14/71/1010051471.db2.gz DOMJTXQLNNNNFI-CYBMUJFWSA-N 1 0 400.410 3.876 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000521018064 1010054862 /nfs/dbraw/zinc/05/48/62/1010054862.db2.gz ONMRBBQOSCIROC-UHFFFAOYSA-N 1 0 409.530 3.988 20 5 HHBDRO CSc1ccc(-c2nc(-c3ccccc3OCC[NH+](C)C)no2)cc1[N+](=O)[O-] ZINC000547103048 1010055103 /nfs/dbraw/zinc/05/51/03/1010055103.db2.gz FOUGARBDRAEGTH-UHFFFAOYSA-N 1 0 400.460 3.974 20 5 HHBDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000521037398 1010067517 /nfs/dbraw/zinc/06/75/17/1010067517.db2.gz LLMNCJCWWYNTMM-HXUWFJFHSA-N 1 0 411.506 3.555 20 5 HHBDRO C[NH+]1CCN(c2ccccc2-c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)CC1 ZINC000547123346 1010075290 /nfs/dbraw/zinc/07/52/90/1010075290.db2.gz LGXDBUAHMFZXKF-CLFYSBASSA-N 1 0 409.421 3.706 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000547191587 1010134771 /nfs/dbraw/zinc/13/47/71/1010134771.db2.gz PGLMJJHMITXOKA-CYBMUJFWSA-N 1 0 415.475 3.834 20 5 HHBDRO COc1cccc([C@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)c1 ZINC000544532947 1010162677 /nfs/dbraw/zinc/16/26/77/1010162677.db2.gz TZCVUSZGKXERKL-BTYIYWSLSA-N 1 0 415.465 3.799 20 5 HHBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000544538929 1010168224 /nfs/dbraw/zinc/16/82/24/1010168224.db2.gz ZVJMYTOTLZWDME-QVKFZJNVSA-N 1 0 415.465 3.799 20 5 HHBDRO COc1ccc2cc([C@H](C)[NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000544574126 1010203501 /nfs/dbraw/zinc/20/35/01/1010203501.db2.gz KWIRWAONLPDMJC-HNNXBMFYSA-N 1 0 414.483 3.881 20 5 HHBDRO CC(C)(C)c1ccc(Oc2ccc(C[NH2+][C@]3(CO)CCOC3)cc2[N+](=O)[O-])cc1 ZINC000544595088 1010220462 /nfs/dbraw/zinc/22/04/62/1010220462.db2.gz QAHDJWVIZRZERR-QFIPXVFZSA-N 1 0 400.475 3.926 20 5 HHBDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000547364625 1010271994 /nfs/dbraw/zinc/27/19/94/1010271994.db2.gz AAKGYBMCUQLBSU-UWJYYQICSA-N 1 0 421.497 3.972 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000544660130 1010280912 /nfs/dbraw/zinc/28/09/12/1010280912.db2.gz ALKCHWTZPKMJHX-QGZVFWFLSA-N 1 0 417.531 3.716 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000521360138 1010331428 /nfs/dbraw/zinc/33/14/28/1010331428.db2.gz ZRZHWGITFWKFIV-SFHVURJKSA-N 1 0 422.485 3.532 20 5 HHBDRO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c(OC(F)F)c1 ZINC000544846737 1010432614 /nfs/dbraw/zinc/43/26/14/1010432614.db2.gz IFIXQLUZCKFMCE-UHFFFAOYSA-N 1 0 407.417 3.765 20 5 HHBDRO CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544895824 1010472336 /nfs/dbraw/zinc/47/23/36/1010472336.db2.gz RLODFVDLPBNKLJ-SFHVURJKSA-N 1 0 416.909 3.783 20 5 HHBDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000544942874 1010507772 /nfs/dbraw/zinc/50/77/72/1010507772.db2.gz KYLFVMLEGCDCAB-CYBMUJFWSA-N 1 0 404.854 3.544 20 5 HHBDRO C[NH+](C)CCOc1ccc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 ZINC000544983728 1010535167 /nfs/dbraw/zinc/53/51/67/1010535167.db2.gz UGCVBFGOFKYTOB-UHFFFAOYSA-N 1 0 423.473 3.852 20 5 HHBDRO CC[NH+](CC)CCN(C(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000545184702 1010675507 /nfs/dbraw/zinc/67/55/07/1010675507.db2.gz YSNPSWZCSKVCGX-UHFFFAOYSA-N 1 0 410.396 3.997 20 5 HHBDRO C[NH+](C)CCOc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000522646562 1011134855 /nfs/dbraw/zinc/13/48/55/1011134855.db2.gz WMQPXAZSWOAUAU-UHFFFAOYSA-N 1 0 409.895 3.919 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000540629159 1011276960 /nfs/dbraw/zinc/27/69/60/1011276960.db2.gz ZWKODAJTVIXEDJ-SEJPIABJSA-N 1 0 423.513 3.984 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000522915612 1011362360 /nfs/dbraw/zinc/36/23/60/1011362360.db2.gz PBXTWSFYDDKYOY-UHFFFAOYSA-N 1 0 417.893 3.830 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@H](O)C[C@@H]3c3ccc(F)c(F)c3)o2)c1 ZINC000536239997 1011393425 /nfs/dbraw/zinc/39/34/25/1011393425.db2.gz PPYXJQVXPUSCAF-VQIMIIECSA-N 1 0 415.396 3.878 20 5 HHBDRO O=C(CCc1ccccc1)N1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000540757693 1011409419 /nfs/dbraw/zinc/40/94/19/1011409419.db2.gz AEVIRKRBQQTQQS-FCHUYYIVSA-N 1 0 407.514 3.739 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H]1c1ccccc1 ZINC000536262369 1011428085 /nfs/dbraw/zinc/42/80/85/1011428085.db2.gz HEQSAMSQQKWCJC-DLBZAZTESA-N 1 0 404.264 3.533 20 5 HHBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000523161511 1011643804 /nfs/dbraw/zinc/64/38/04/1011643804.db2.gz IZOQMUATCYOQGX-GOSISDBHSA-N 1 0 405.458 3.836 20 5 HHBDRO Cc1c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000536451096 1011669529 /nfs/dbraw/zinc/66/95/29/1011669529.db2.gz VUTDDSWMQBWISS-NHCUHLMSSA-N 1 0 417.554 3.704 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000523284742 1011764879 /nfs/dbraw/zinc/76/48/79/1011764879.db2.gz BXAZQPDFXHRDBG-HKUYNNGSSA-N 1 0 400.523 3.532 20 5 HHBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000551793596 1011953590 /nfs/dbraw/zinc/95/35/90/1011953590.db2.gz NJWPCZNIDSPFKY-QGZVFWFLSA-N 1 0 411.380 3.655 20 5 HHBDRO C[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000551816163 1011972684 /nfs/dbraw/zinc/97/26/84/1011972684.db2.gz GTSKKMHNBBHEIT-FPTDNZKUSA-N 1 0 408.458 3.671 20 5 HHBDRO CCc1nc2ccccc2n1C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000541326191 1012036168 /nfs/dbraw/zinc/03/61/68/1012036168.db2.gz SRTZXERMHUYXBU-SFHVURJKSA-N 1 0 424.501 3.584 20 5 HHBDRO Cn1ccnc1[C@@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000552040147 1012060820 /nfs/dbraw/zinc/06/08/20/1012060820.db2.gz FDTYAIOLVVCKNT-YADHBBJMSA-N 1 0 405.502 3.844 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000536845297 1012074567 /nfs/dbraw/zinc/07/45/67/1012074567.db2.gz LVOQYVVMDNOSRR-NSHDSACASA-N 1 0 413.261 3.682 20 5 HHBDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000536846309 1012076421 /nfs/dbraw/zinc/07/64/21/1012076421.db2.gz QHHXIEDURHNFSH-WWMYMODYSA-N 1 0 406.486 3.694 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)cc1[N+](=O)[O-] ZINC000536848774 1012079232 /nfs/dbraw/zinc/07/92/32/1012079232.db2.gz ZXCZDIFQOMWHEX-DZGCQCFKSA-N 1 0 409.280 3.756 20 5 HHBDRO Cc1c(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cccc1[N+](=O)[O-] ZINC000552188165 1012200600 /nfs/dbraw/zinc/20/06/00/1012200600.db2.gz GKIQHLIGZJKOPN-SFHVURJKSA-N 1 0 403.429 3.677 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000552223224 1012235568 /nfs/dbraw/zinc/23/55/68/1012235568.db2.gz GLUUBWGISBWNFY-QHCPKHFHSA-N 1 0 419.529 3.980 20 5 HHBDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000552296304 1012308151 /nfs/dbraw/zinc/30/81/51/1012308151.db2.gz GFDSSSKIWQDGDY-BFQNTYOBSA-N 1 0 403.508 3.639 20 5 HHBDRO COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])c(C)c1Br)[NH+](C)C ZINC000541578863 1012369409 /nfs/dbraw/zinc/36/94/09/1012369409.db2.gz WEAZAPSGNYYJKR-CQSZACIVSA-N 1 0 409.284 3.784 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)c([N+](=O)[O-])c1 ZINC000537097028 1012460356 /nfs/dbraw/zinc/46/03/56/1012460356.db2.gz WLUILXMPUMMKEP-CQSZACIVSA-N 1 0 417.462 3.608 20 5 HHBDRO COCCSc1ccc([C@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000537104028 1012470883 /nfs/dbraw/zinc/47/08/83/1012470883.db2.gz DSIJFSQZGPELPI-HNNXBMFYSA-N 1 0 415.515 3.573 20 5 HHBDRO COc1ccc2oc([C@H](C)[NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)c(C)c2c1 ZINC000541652563 1012475317 /nfs/dbraw/zinc/47/53/17/1012475317.db2.gz XPXBQVDMTIEDIT-HOCLYGCPSA-N 1 0 400.431 3.749 20 5 HHBDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000541663382 1012491852 /nfs/dbraw/zinc/49/18/52/1012491852.db2.gz VIFZGRCEIHUGGE-ZBEGNZNMSA-N 1 0 421.910 3.588 20 5 HHBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000552468745 1012494158 /nfs/dbraw/zinc/49/41/58/1012494158.db2.gz XPANTANAWNPAMW-QHCPKHFHSA-N 1 0 415.493 3.723 20 5 HHBDRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccccc3[N+](=O)[O-])cc2)C[C@@H]1C ZINC000537144015 1012536360 /nfs/dbraw/zinc/53/63/60/1012536360.db2.gz BAICUVABMDRFCN-ROUUACIJSA-N 1 0 411.502 3.534 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2Br)cc1[N+](=O)[O-] ZINC000537175789 1012583109 /nfs/dbraw/zinc/58/31/09/1012583109.db2.gz AAEHGVHXAUFHAP-CQSZACIVSA-N 1 0 420.307 3.975 20 5 HHBDRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000537177285 1012585615 /nfs/dbraw/zinc/58/56/15/1012585615.db2.gz XQVNNDFLJXZOKM-HNNXBMFYSA-N 1 0 411.437 3.826 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000541758074 1012619472 /nfs/dbraw/zinc/61/94/72/1012619472.db2.gz LPVPHNJELIIWBE-UHFFFAOYSA-N 1 0 420.307 3.792 20 5 HHBDRO C[N@H+]1CC=C(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000537237165 1012676228 /nfs/dbraw/zinc/67/62/28/1012676228.db2.gz OZIUZXADFHNCAH-UHFFFAOYSA-N 1 0 414.893 3.852 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000537262932 1012714217 /nfs/dbraw/zinc/71/42/17/1012714217.db2.gz JLRNSEZMNQMUBQ-LAUBAEHRSA-N 1 0 416.481 3.907 20 5 HHBDRO COc1cccc(C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C2CCC(O)CC2)c1 ZINC000524081095 1012847783 /nfs/dbraw/zinc/84/77/83/1012847783.db2.gz KQJRUQYZVZYQNI-UHFFFAOYSA-N 1 0 400.475 3.788 20 5 HHBDRO C[C@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000541990528 1012867654 /nfs/dbraw/zinc/86/76/54/1012867654.db2.gz TZVJYMDRLWFSKG-HNNXBMFYSA-N 1 0 419.428 3.933 20 5 HHBDRO COc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000542031249 1012928408 /nfs/dbraw/zinc/92/84/08/1012928408.db2.gz ALDGMHYZNAOMOE-CQSZACIVSA-N 1 0 404.492 3.699 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001625982883 1072157789 /nfs/dbraw/zinc/15/77/89/1072157789.db2.gz UBSVQVPWSBOHJU-UHFFFAOYSA-N 1 0 401.894 3.880 20 5 HHBDRO COc1c(Br)c([N+](=O)[O-])c(NC[C@@H](CC(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000912594615 1072252856 /nfs/dbraw/zinc/25/28/56/1072252856.db2.gz XWUFLWJLPWGINI-SNVBAGLBSA-N 1 0 419.276 3.662 20 5 HHBDRO C[C@](CO)([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000586776741 1072413683 /nfs/dbraw/zinc/41/36/83/1072413683.db2.gz CORFRACQVOPJLM-GOSISDBHSA-N 1 0 409.280 3.624 20 5 HHBDRO COc1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000571068970 1072551604 /nfs/dbraw/zinc/55/16/04/1072551604.db2.gz UBUADANKZHPGQB-LJQANCHMSA-N 1 0 422.485 3.905 20 5 HHBDRO COC(=O)c1ccccc1C(=O)c1ccc(N[C@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000571257182 1072592371 /nfs/dbraw/zinc/59/23/71/1072592371.db2.gz BJXLNXAIYXVJEG-OAHLLOKOSA-N 1 0 413.474 3.753 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1SC ZINC000571714337 1072701285 /nfs/dbraw/zinc/70/12/85/1072701285.db2.gz QTVATUJYDNRIEC-YOEHRIQHSA-N 1 0 415.515 3.718 20 5 HHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479393689 1072805712 /nfs/dbraw/zinc/80/57/12/1072805712.db2.gz RJGKNGUPPGBISB-UHFFFAOYSA-N 1 0 407.474 3.552 20 5 HHBDRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000479406084 1072827904 /nfs/dbraw/zinc/82/79/04/1072827904.db2.gz IIMWSFPLAPLXOZ-MRXNPFEDSA-N 1 0 405.520 3.533 20 5 HHBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)[C@H]2C1 ZINC000590500783 1073860934 /nfs/dbraw/zinc/86/09/34/1073860934.db2.gz XXJVZADDHVAGSU-RBUKOAKNSA-N 1 0 419.547 3.565 20 5 HHBDRO CC(C)c1ccc(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000573018620 1074061367 /nfs/dbraw/zinc/06/13/67/1074061367.db2.gz YDOXIEIFEDYPQA-UHFFFAOYSA-N 1 0 412.534 3.838 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)[C@H]1c1ccccc1 ZINC000760852630 1074451751 /nfs/dbraw/zinc/45/17/51/1074451751.db2.gz JRZXDEBWEBQVSQ-RHSMWYFYSA-N 1 0 404.264 3.533 20 5 HHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000574202669 1075174367 /nfs/dbraw/zinc/17/43/67/1075174367.db2.gz KKEUPUJZISKVKM-BEFAXECRSA-N 1 0 405.458 3.843 20 5 HHBDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000597653996 1075686928 /nfs/dbraw/zinc/68/69/28/1075686928.db2.gz RKKUARMOHRDLHJ-UHFFFAOYSA-N 1 0 418.881 3.572 20 5 HHBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627210 719067876 /nfs/dbraw/zinc/06/78/76/719067876.db2.gz PWKRWBLEKOVMLE-KBPBESRZSA-N 1 0 408.289 3.792 20 5 HHBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839280 720538697 /nfs/dbraw/zinc/53/86/97/720538697.db2.gz PSRBYTSVSROREH-LVCYWYKZSA-N 1 0 420.517 3.717 20 5 HHBDRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164733988 720544522 /nfs/dbraw/zinc/54/45/22/720544522.db2.gz FIQSWCKWMQLQFD-ZDUSSCGKSA-N 1 0 418.872 3.704 20 5 HHBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904189 721692181 /nfs/dbraw/zinc/69/21/81/721692181.db2.gz DRLUTZKJEYWFTE-GOSISDBHSA-N 1 0 423.851 3.776 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@@H]21 ZINC001165018592 721800483 /nfs/dbraw/zinc/80/04/83/721800483.db2.gz BKWXWNSLGGQHGP-FHLIZLRMSA-N 1 0 401.898 3.775 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@H]21 ZINC001165023556 721818807 /nfs/dbraw/zinc/81/88/07/721818807.db2.gz HWBHZIIADATOPD-KFKAGJAMSA-N 1 0 406.490 3.603 20 5 HHBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994808 722198265 /nfs/dbraw/zinc/19/82/65/722198265.db2.gz PVCGEIDACBSJPA-QFIPXVFZSA-N 1 0 407.449 3.922 20 5 HHBDRO C[C@@H]1C[NH+](CC2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000301183897 970793093 /nfs/dbraw/zinc/79/30/93/970793093.db2.gz OIKYSBZFBMWYQX-ZIAGYGMSSA-N 1 0 401.429 3.939 20 5 HHBDRO CC1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CC2)CC1 ZINC000301273961 970844343 /nfs/dbraw/zinc/84/43/43/970844343.db2.gz IHUMNMQXVKMIRH-UHFFFAOYSA-N 1 0 400.523 3.532 20 5 HHBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000301407550 970913561 /nfs/dbraw/zinc/91/35/61/970913561.db2.gz MTUDECAUIYOLOR-UHFFFAOYSA-N 1 0 416.503 3.937 20 5 HHBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000301458554 970938806 /nfs/dbraw/zinc/93/88/06/970938806.db2.gz SYLSYLMKCWZOPT-LJQANCHMSA-N 1 0 422.529 3.932 20 5 HHBDRO O=C(c1cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301507237 970959966 /nfs/dbraw/zinc/95/99/66/970959966.db2.gz ADIJZVFMSAKQLS-IBGZPJMESA-N 1 0 414.550 3.923 20 5 HHBDRO Cn1ccnc1C(=O)c1ccc(NC2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000301547129 970974262 /nfs/dbraw/zinc/97/42/62/970974262.db2.gz PJYXVYYDIQHGBJ-UHFFFAOYSA-N 1 0 411.506 3.768 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])c4cccnc34)C2)cc(OC)c1 ZINC000301588573 970992586 /nfs/dbraw/zinc/99/25/86/970992586.db2.gz XPUVUEYCWKHTFQ-MRXNPFEDSA-N 1 0 408.458 3.847 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301678380 971024943 /nfs/dbraw/zinc/02/49/43/971024943.db2.gz IMLULHXUIMQSCV-HNNXBMFYSA-N 1 0 410.474 3.912 20 5 HHBDRO CCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000301762921 971057953 /nfs/dbraw/zinc/05/79/53/971057953.db2.gz NXCOZUDWJHWWFX-FQEVSTJZSA-N 1 0 413.474 3.569 20 5 HHBDRO CS(=O)(=O)c1cccc(NCc2ccc(C[NH+]3CCCCCC3)cc2)c1[N+](=O)[O-] ZINC000301886187 971099851 /nfs/dbraw/zinc/09/98/51/971099851.db2.gz MGTOYTDPIJBBPN-UHFFFAOYSA-N 1 0 417.531 3.986 20 5 HHBDRO O=[N+]([O-])c1cncc(Br)c1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000301891969 971101088 /nfs/dbraw/zinc/10/10/88/971101088.db2.gz OLLMHYJZVNPJRX-UHFFFAOYSA-N 1 0 409.259 3.968 20 5 HHBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000302025029 971154564 /nfs/dbraw/zinc/15/45/64/971154564.db2.gz KDGBVDKIHJLTNI-QUCCMNQESA-N 1 0 418.444 3.869 20 5 HHBDRO O=[N+]([O-])c1cc(Br)ccc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000302063581 971167129 /nfs/dbraw/zinc/16/71/29/971167129.db2.gz UXAPYPPZSYAJSD-QGZVFWFLSA-N 1 0 420.307 3.926 20 5 HHBDRO Cc1cc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302100762 971176160 /nfs/dbraw/zinc/17/61/60/971176160.db2.gz UXZNUUYTLOUMKN-UHFFFAOYSA-N 1 0 422.460 3.872 20 5 HHBDRO Cc1cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302127659 971182713 /nfs/dbraw/zinc/18/27/13/971182713.db2.gz BGMPBYAEUDLSJR-UHFFFAOYSA-N 1 0 412.396 3.692 20 5 HHBDRO Cc1cc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302137480 971185169 /nfs/dbraw/zinc/18/51/69/971185169.db2.gz DOCTWPCTNLDLAU-INIZCTEOSA-N 1 0 409.421 3.991 20 5 HHBDRO Cc1cc(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302175144 971197149 /nfs/dbraw/zinc/19/71/49/971197149.db2.gz MTFJHSJGVHVAPS-UHFFFAOYSA-N 1 0 412.396 3.692 20 5 HHBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000302591584 971260037 /nfs/dbraw/zinc/26/00/37/971260037.db2.gz AENRTNHBPJNKGI-UHFFFAOYSA-N 1 0 417.531 3.986 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc(Br)ccc1F ZINC000302961712 971421504 /nfs/dbraw/zinc/42/15/04/971421504.db2.gz GQDMHUKAFCACBZ-UHFFFAOYSA-N 1 0 410.243 3.957 20 5 HHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](c4nc(-c5ccccc5)n[nH]4)C3)nc2c1 ZINC000537562554 1013096353 /nfs/dbraw/zinc/09/63/53/1013096353.db2.gz RIYWBVGYOKBPOU-HNNXBMFYSA-N 1 0 404.430 3.901 20 5 HHBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303502853 971801331 /nfs/dbraw/zinc/80/13/31/971801331.db2.gz RSCBYIYVLQNSOD-IHWFROFDSA-N 1 0 408.502 3.709 20 5 HHBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000303651105 971930322 /nfs/dbraw/zinc/93/03/22/971930322.db2.gz KLCMMOGCVIOUIS-INIZCTEOSA-N 1 0 417.531 3.661 20 5 HHBDRO Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000542212531 1013159017 /nfs/dbraw/zinc/15/90/17/1013159017.db2.gz OVUSOMPANQXONR-SFHVURJKSA-N 1 0 407.470 3.914 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+](C[C@H]4CCOC4)CC3)o2)c(Cl)c1 ZINC000537619416 1013162158 /nfs/dbraw/zinc/16/21/58/1013162158.db2.gz BYSMMCIREARYTE-OAHLLOKOSA-N 1 0 405.882 3.662 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303827752 972363736 /nfs/dbraw/zinc/36/37/36/972363736.db2.gz QHFBLGPEPNPXFS-PKOBYXMFSA-N 1 0 417.531 3.577 20 5 HHBDRO COCCOc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC000537630326 1013184347 /nfs/dbraw/zinc/18/43/47/1013184347.db2.gz NLQASTISRGXHRO-UHFFFAOYSA-N 1 0 416.474 3.672 20 5 HHBDRO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000537633682 1013188056 /nfs/dbraw/zinc/18/80/56/1013188056.db2.gz TUWRXFGOEMGZRZ-IBGZPJMESA-N 1 0 406.490 3.538 20 5 HHBDRO COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[NH+]2CCCC2)cc1 ZINC000006287663 960878341 /nfs/dbraw/zinc/87/83/41/960878341.db2.gz AUIKICZGNOWJGG-IBGZPJMESA-N 1 0 403.866 3.824 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)n1 ZINC000553251893 1013218386 /nfs/dbraw/zinc/21/83/86/1013218386.db2.gz OFWRXDWYDRJDPW-MRXNPFEDSA-N 1 0 404.492 3.723 20 5 HHBDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000537681708 1013242172 /nfs/dbraw/zinc/24/21/72/1013242172.db2.gz UFRLUHZNJVHOOK-LJQANCHMSA-N 1 0 406.870 3.727 20 5 HHBDRO COc1ccc(OCC[NH+]2CCC(OCc3ccccc3OC)CC2)c([N+](=O)[O-])c1 ZINC000537684169 1013246417 /nfs/dbraw/zinc/24/64/17/1013246417.db2.gz TZZDBECRGJIKJI-UHFFFAOYSA-N 1 0 416.474 3.672 20 5 HHBDRO COc1ccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537709528 1013275846 /nfs/dbraw/zinc/27/58/46/1013275846.db2.gz GVHVIKHWMDKXQF-UYAOXDASSA-N 1 0 400.475 3.775 20 5 HHBDRO CCOc1cc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])cc1OCC ZINC000542359726 1013316244 /nfs/dbraw/zinc/31/62/44/1013316244.db2.gz UDXWUCFEKAAOSV-OAHLLOKOSA-N 1 0 408.499 3.778 20 5 HHBDRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000013749713 962397196 /nfs/dbraw/zinc/39/71/96/962397196.db2.gz QALKLPQUJUVPPZ-UHFFFAOYSA-N 1 0 416.503 3.902 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000015387697 962744883 /nfs/dbraw/zinc/74/48/83/962744883.db2.gz HYVRLWCWHKYGTA-HXUWFJFHSA-N 1 0 415.515 3.649 20 5 HHBDRO COc1cccc(NC(=O)[C@@H]([NH2+]CCNc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000015505517 962777803 /nfs/dbraw/zinc/77/78/03/962777803.db2.gz PVCJSKJASURJFK-QFIPXVFZSA-N 1 0 420.469 3.985 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000017911960 963240913 /nfs/dbraw/zinc/24/09/13/963240913.db2.gz PFNJRYSSGHDJEA-HXUWFJFHSA-N 1 0 415.515 3.892 20 5 HHBDRO CCc1ccc([C@@H]([NH2+]C2CCC(S(C)(=O)=O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542496116 1013441959 /nfs/dbraw/zinc/44/19/59/1013441959.db2.gz HTIRFLMVIBAOHP-UPQHMETBSA-N 1 0 406.504 3.785 20 5 HHBDRO CSc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1[N+](=O)[O-] ZINC000023651511 963872381 /nfs/dbraw/zinc/87/23/81/963872381.db2.gz PAFLJXHGKGKFEC-UHFFFAOYSA-N 1 0 400.504 3.629 20 5 HHBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024086925 963938041 /nfs/dbraw/zinc/93/80/41/963938041.db2.gz RPRHFVFITBISFR-UHFFFAOYSA-N 1 0 403.442 3.696 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c(C)c2)CC1 ZINC000025185003 964203216 /nfs/dbraw/zinc/20/32/16/964203216.db2.gz JNCLSTIQNPRFNX-UHFFFAOYSA-N 1 0 402.882 3.951 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000025330350 964243264 /nfs/dbraw/zinc/24/32/64/964243264.db2.gz FYLHHTSDWDBTQO-HXUWFJFHSA-N 1 0 416.547 3.925 20 5 HHBDRO CN1CC[N@H+](CCCNc2ccc([N+](=O)[O-])c3cnccc23)[C@@H](c2ccccc2)C1 ZINC000025571005 964308505 /nfs/dbraw/zinc/30/85/05/964308505.db2.gz YEHXYHRQABJEQE-HSZRJFAPSA-N 1 0 405.502 3.934 20 5 HHBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000553592425 1013486156 /nfs/dbraw/zinc/48/61/56/1013486156.db2.gz HPHFZSDEGPCMDC-UHFFFAOYSA-N 1 0 413.474 3.775 20 5 HHBDRO C[N@H+](CCOc1ccc(Br)cc1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026226971 964493993 /nfs/dbraw/zinc/49/39/93/964493993.db2.gz WMZOEACXAAGLFM-UHFFFAOYSA-N 1 0 422.279 3.697 20 5 HHBDRO COc1ccccc1C[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C(C)C ZINC000542564001 1013505970 /nfs/dbraw/zinc/50/59/70/1013505970.db2.gz SRUKETRWBJKKPD-SFHVURJKSA-N 1 0 413.474 3.758 20 5 HHBDRO O=C(C[NH2+][C@H](Cc1ccccc1)c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026923641 964723706 /nfs/dbraw/zinc/72/37/06/964723706.db2.gz CDIFGQXWIUTLCC-GOSISDBHSA-N 1 0 419.437 3.836 20 5 HHBDRO CNc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000027573279 964921758 /nfs/dbraw/zinc/92/17/58/964921758.db2.gz KGBYHPCWZFWBEM-GOSISDBHSA-N 1 0 402.520 3.901 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000542609814 1013544854 /nfs/dbraw/zinc/54/48/54/1013544854.db2.gz BITUOLUBERTDCV-QFBILLFUSA-N 1 0 401.482 3.907 20 5 HHBDRO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000053644205 965238382 /nfs/dbraw/zinc/23/83/82/965238382.db2.gz KCUXEQISYADPOW-IBGZPJMESA-N 1 0 403.410 3.778 20 5 HHBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCN(Cc3ccccc3)CC2)c2ccncc21 ZINC000029170812 965294732 /nfs/dbraw/zinc/29/47/32/965294732.db2.gz NXECAUZVBPDYBK-UHFFFAOYSA-N 1 0 405.502 3.763 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000054227814 965436305 /nfs/dbraw/zinc/43/63/05/965436305.db2.gz CNIIQKDRINMRTB-APWZRJJASA-N 1 0 419.485 3.561 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029828918 965515539 /nfs/dbraw/zinc/51/55/39/965515539.db2.gz XAHMMPRIKRBUKM-OAHLLOKOSA-N 1 0 424.457 3.953 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029828922 965515874 /nfs/dbraw/zinc/51/58/74/965515874.db2.gz XAHMMPRIKRBUKM-HNNXBMFYSA-N 1 0 424.457 3.953 20 5 HHBDRO O=[N+]([O-])c1cc(F)ccc1/C=C\c1nc(-c2cccc(CN3CCOCC3)c2)no1 ZINC000553760331 1013595173 /nfs/dbraw/zinc/59/51/73/1013595173.db2.gz AUCCDGCTYGMFQH-ALCCZGGFSA-N 1 0 410.405 3.787 20 5 HHBDRO CC1CC[NH+]([C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000058723694 965862919 /nfs/dbraw/zinc/86/29/19/965862919.db2.gz ZPNCBWFQZQPCOT-SFHVURJKSA-N 1 0 423.560 3.549 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCNc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000058949262 965969372 /nfs/dbraw/zinc/96/93/72/965969372.db2.gz KHFKOOWXGNNHTR-GOSISDBHSA-N 1 0 410.518 3.945 20 5 HHBDRO C[C@@H]1CCC[C@](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)([NH+](C)C)C1 ZINC000059891256 966040757 /nfs/dbraw/zinc/04/07/57/966040757.db2.gz DKKMYSKPZZZENJ-CJAUYULYSA-N 1 0 405.542 3.781 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000060063770 966056169 /nfs/dbraw/zinc/05/61/69/966056169.db2.gz ACPDSPSSSHDISH-GOSISDBHSA-N 1 0 403.504 3.868 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000056933037 966520003 /nfs/dbraw/zinc/52/00/03/966520003.db2.gz LIXKXLGXVYVSMI-FQEVSTJZSA-N 1 0 412.490 3.630 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cccc(OC)c1 ZINC000041846012 966649317 /nfs/dbraw/zinc/64/93/17/966649317.db2.gz BOGKAOHZBLGQJH-OAQYLSRUSA-N 1 0 410.474 3.898 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000062368037 966650375 /nfs/dbraw/zinc/65/03/75/966650375.db2.gz GTXAQHQGNZQPEF-UHFFFAOYSA-N 1 0 406.870 3.853 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000538099937 1013668612 /nfs/dbraw/zinc/66/86/12/1013668612.db2.gz HQZCESPGTLMLFU-UHFFFAOYSA-N 1 0 419.522 3.602 20 5 HHBDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cc([N+](=O)[O-])c(C)s3)CC2)cc1 ZINC000063262983 966796280 /nfs/dbraw/zinc/79/62/80/966796280.db2.gz YSRBMXCMIIITEP-UHFFFAOYSA-N 1 0 403.504 3.615 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[NH+]2CCCC2)c1 ZINC000043126873 966910990 /nfs/dbraw/zinc/91/09/90/966910990.db2.gz NQVDBLRYJHHZHE-LJQANCHMSA-N 1 0 414.462 3.571 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000063664301 966921527 /nfs/dbraw/zinc/92/15/27/966921527.db2.gz IVDVACKHILYDBY-GOSISDBHSA-N 1 0 401.463 3.609 20 5 HHBDRO CCCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000538150082 1013709541 /nfs/dbraw/zinc/70/95/41/1013709541.db2.gz HKJCUCUFXPMFKB-OAHLLOKOSA-N 1 0 401.463 3.990 20 5 HHBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000065450269 967472367 /nfs/dbraw/zinc/47/23/67/967472367.db2.gz ZPHXXVUGLDNARA-GFCCVEGCSA-N 1 0 400.426 3.828 20 5 HHBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1OC ZINC000542915728 1013755161 /nfs/dbraw/zinc/75/51/61/1013755161.db2.gz NDAWTUZVAODFEQ-IAGOWNOFSA-N 1 0 416.522 3.826 20 5 HHBDRO CCCC[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(OC)cc1 ZINC000538205107 1013759060 /nfs/dbraw/zinc/75/90/60/1013759060.db2.gz OUDVCWKHMOMRLX-INIZCTEOSA-N 1 0 415.446 3.792 20 5 HHBDRO COCCSc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000538204409 1013759245 /nfs/dbraw/zinc/75/92/45/1013759245.db2.gz FDRHMJDQHIPFCB-HNNXBMFYSA-N 1 0 403.504 3.931 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000538210986 1013764404 /nfs/dbraw/zinc/76/44/04/1013764404.db2.gz PGWPKFJTVSCCLB-INIZCTEOSA-N 1 0 410.474 3.709 20 5 HHBDRO Cc1nn(Cc2ccc(C(=O)Nc3cccc(C[NH+](C)C)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000047453518 968201030 /nfs/dbraw/zinc/20/10/30/968201030.db2.gz JRPBTTWIEJJYTR-UHFFFAOYSA-N 1 0 407.474 3.770 20 5 HHBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000047675684 968274005 /nfs/dbraw/zinc/27/40/05/968274005.db2.gz CKJBNHIRMSIGGJ-UHFFFAOYSA-N 1 0 402.539 3.534 20 5 HHBDRO CCC[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000554091105 1013794348 /nfs/dbraw/zinc/79/43/48/1013794348.db2.gz BFLXHJDFGRORGQ-SJLPKXTDSA-N 1 0 423.560 3.940 20 5 HHBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000048237212 968496222 /nfs/dbraw/zinc/49/62/22/968496222.db2.gz WWOJNXQLOWAKPM-AWEZNQCLSA-N 1 0 417.428 3.778 20 5 HHBDRO Cc1c(CNC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] ZINC000554122113 1013808306 /nfs/dbraw/zinc/80/83/06/1013808306.db2.gz QTUDQYRXUVACBZ-QHCPKHFHSA-N 1 0 408.502 3.711 20 5 HHBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000069179636 968818412 /nfs/dbraw/zinc/81/84/12/968818412.db2.gz GBWMQWGGXXWQKS-UHFFFAOYSA-N 1 0 402.539 3.825 20 5 HHBDRO CC1CC[NH+]([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c2cccs2)CC1 ZINC000069210842 968820099 /nfs/dbraw/zinc/82/00/99/968820099.db2.gz OFZBGNPPEIXWAJ-IBGZPJMESA-N 1 0 416.547 3.925 20 5 HHBDRO CCc1ccc([C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000069233307 968822315 /nfs/dbraw/zinc/82/23/15/968822315.db2.gz HVPSPZAMQXUPGT-JOCHJYFZSA-N 1 0 410.518 3.790 20 5 HHBDRO COc1cccc([C@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[NH+](C)C)c1 ZINC000069366713 968830546 /nfs/dbraw/zinc/83/05/46/968830546.db2.gz NPQRFCNTUNCMKX-LIRRHRJNSA-N 1 0 403.504 3.503 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000071954858 968907835 /nfs/dbraw/zinc/90/78/35/968907835.db2.gz FWYSOYZJAULVGH-OAHLLOKOSA-N 1 0 407.474 3.675 20 5 HHBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000072042852 968953739 /nfs/dbraw/zinc/95/37/39/968953739.db2.gz QMPFODVDJMRAIR-UHFFFAOYSA-N 1 0 402.882 3.951 20 5 HHBDRO O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000072067765 968969435 /nfs/dbraw/zinc/96/94/35/968969435.db2.gz UXQVUPYJWOEZLG-UHFFFAOYSA-N 1 0 421.906 3.815 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000554218343 1013858980 /nfs/dbraw/zinc/85/89/80/1013858980.db2.gz NEWUHKVYWQVGDQ-SFHVURJKSA-N 1 0 402.520 3.677 20 5 HHBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000104969932 969215200 /nfs/dbraw/zinc/21/52/00/969215200.db2.gz WLHPBGFBZBXCHK-UHFFFAOYSA-N 1 0 402.539 3.683 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000107513438 969310497 /nfs/dbraw/zinc/31/04/97/969310497.db2.gz AHHGXIOQKSNSNM-UHFFFAOYSA-N 1 0 423.473 3.753 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000108817565 969422443 /nfs/dbraw/zinc/42/24/43/969422443.db2.gz LWKKMZNGLJLJPF-IRXDYDNUSA-N 1 0 402.539 3.681 20 5 HHBDRO COc1ccc(OC)c(C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)c1 ZINC000109103752 969462097 /nfs/dbraw/zinc/46/20/97/969462097.db2.gz DPWXAIHCTKGTRO-UHFFFAOYSA-N 1 0 413.474 3.914 20 5 HHBDRO C[C@@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000109477246 969522249 /nfs/dbraw/zinc/52/22/49/969522249.db2.gz IYQZJNQZJAXSRY-MRXNPFEDSA-N 1 0 414.531 3.625 20 5 HHBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000109980271 969604518 /nfs/dbraw/zinc/60/45/18/969604518.db2.gz SCSMJQGHEJBILH-CQSZACIVSA-N 1 0 417.428 3.920 20 5 HHBDRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000554372748 1013924508 /nfs/dbraw/zinc/92/45/08/1013924508.db2.gz UFQRSMNLFXVMEE-IAGOWNOFSA-N 1 0 413.440 3.839 20 5 HHBDRO C[C@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000140190117 970067210 /nfs/dbraw/zinc/06/72/10/970067210.db2.gz RVXBQRYBJWQZFX-HNNXBMFYSA-N 1 0 417.893 3.913 20 5 HHBDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000236799060 970173576 /nfs/dbraw/zinc/17/35/76/970173576.db2.gz KVIHQBXEGDIPLU-UHFFFAOYSA-N 1 0 423.560 3.617 20 5 HHBDRO CCOc1cc(C[NH2+][C@@H]2CC=CCC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000237020905 970207606 /nfs/dbraw/zinc/20/76/06/970207606.db2.gz KDFMXJFYZYMXPI-GOSISDBHSA-N 1 0 400.479 3.776 20 5 HHBDRO COc1cc(C[NH2+]CCOc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000237181617 970236477 /nfs/dbraw/zinc/23/64/77/970236477.db2.gz SHJXRFWXBCZROQ-UHFFFAOYSA-N 1 0 400.353 3.799 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237246100 970247966 /nfs/dbraw/zinc/24/79/66/970247966.db2.gz BMRPLTMQFMHKSL-IEBWSBKVSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1cc(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237249015 970248800 /nfs/dbraw/zinc/24/88/00/970248800.db2.gz KXBXDEUTHFKUKH-RDJZCZTQSA-N 1 0 406.401 3.838 20 5 HHBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237282210 970255180 /nfs/dbraw/zinc/25/51/80/970255180.db2.gz BMRPLTMQFMHKSL-HKUYNNGSSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1cc(CN[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237382817 970274174 /nfs/dbraw/zinc/27/41/74/970274174.db2.gz RRSNYEVEZFAXKN-QFBILLFUSA-N 1 0 411.502 3.897 20 5 HHBDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237410527 970280164 /nfs/dbraw/zinc/28/01/64/970280164.db2.gz PLKPKXNGSBKLJF-YWZLYKJASA-N 1 0 412.515 3.650 20 5 HHBDRO O=C(Cc1cccc(F)c1)NCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237742645 970351942 /nfs/dbraw/zinc/35/19/42/970351942.db2.gz IALRHIDJFOAKQK-UHFFFAOYSA-N 1 0 413.474 3.911 20 5 HHBDRO Cn1cc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237763665 970359141 /nfs/dbraw/zinc/35/91/41/970359141.db2.gz UENYNNRSXRTXBE-HXUWFJFHSA-N 1 0 409.490 3.905 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)ccc1Oc1ccccc1Cl ZINC000237930237 970396445 /nfs/dbraw/zinc/39/64/45/970396445.db2.gz XNDZFJUMMCGFGH-AWEZNQCLSA-N 1 0 410.879 3.565 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)ccc1Oc1ccccc1Cl ZINC000237930299 970396962 /nfs/dbraw/zinc/39/69/62/970396962.db2.gz XNDZFJUMMCGFGH-CQSZACIVSA-N 1 0 410.879 3.565 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCS(=O)(=O)c2ccccc2)s1 ZINC000237955664 970404429 /nfs/dbraw/zinc/40/44/29/970404429.db2.gz VVYFCJRUAMVTJN-UHFFFAOYSA-N 1 0 402.497 3.887 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000248088763 970507679 /nfs/dbraw/zinc/50/76/79/970507679.db2.gz BSEIGOYYIISQMD-OAHLLOKOSA-N 1 0 403.504 3.791 20 5 HHBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000248167085 970517669 /nfs/dbraw/zinc/51/76/69/970517669.db2.gz OXTVLXXPWXEIGY-SJORKVTESA-N 1 0 411.506 3.623 20 5 HHBDRO O=c1[nH]cnc2cc(NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)c([N+](=O)[O-])cc12 ZINC000301066115 970730659 /nfs/dbraw/zinc/73/06/59/970730659.db2.gz JNDVYBVAJFKXGQ-UHFFFAOYSA-N 1 0 413.865 3.974 20 5 HHBDRO CC(C)[C@H](CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000301081084 970738236 /nfs/dbraw/zinc/73/82/36/970738236.db2.gz QGJVERBPQUYCLP-INIZCTEOSA-N 1 0 408.852 3.951 20 5 HHBDRO COc1cc2c(cc1OC)C[N@H+](CCNc1ccc([N+](=O)[O-])c3cnccc13)CC2 ZINC000301108502 970752361 /nfs/dbraw/zinc/75/23/61/970752361.db2.gz VKOOSRUKTDBNSU-UHFFFAOYSA-N 1 0 408.458 3.630 20 5 HHBDRO Cc1c(Br)c(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000311223711 972627387 /nfs/dbraw/zinc/62/73/87/972627387.db2.gz WAPVPISVSRRNLZ-OAHLLOKOSA-N 1 0 405.296 3.995 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1Br ZINC000311846346 972629363 /nfs/dbraw/zinc/62/93/63/972629363.db2.gz VBCVEZUNNNIQDQ-OAHLLOKOSA-N 1 0 418.291 3.609 20 5 HHBDRO C[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000426009349 974125770 /nfs/dbraw/zinc/12/57/70/974125770.db2.gz GFEFDHAZQMQTNG-KRWDZBQOSA-N 1 0 408.502 3.716 20 5 HHBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426352815 974410213 /nfs/dbraw/zinc/41/02/13/974410213.db2.gz MYNGDAKZXKFRGR-SFHVURJKSA-N 1 0 409.486 3.921 20 5 HHBDRO CCOc1cc(C[N@H+](C)[C@@H]2CC2(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000426582052 974544236 /nfs/dbraw/zinc/54/42/36/974544236.db2.gz XSLVNKOBZAGRKL-LJQANCHMSA-N 1 0 402.495 3.808 20 5 HHBDRO CCc1ccc(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000427342972 975066212 /nfs/dbraw/zinc/06/62/12/975066212.db2.gz UDSQUOXEDFKFRW-IRXDYDNUSA-N 1 0 403.523 3.509 20 5 HHBDRO COc1cc(Br)ccc1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000427893126 975335633 /nfs/dbraw/zinc/33/56/33/975335633.db2.gz OEOAJWXWJZVNJL-LBPRGKRZSA-N 1 0 422.279 3.873 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)c(Cl)c1 ZINC000428540191 975842752 /nfs/dbraw/zinc/84/27/52/975842752.db2.gz ULFDZPHUQUSHFY-ZDUSSCGKSA-N 1 0 413.699 3.952 20 5 HHBDRO Cc1cc(NCc2ccc(S(C)(=O)=O)c(Cl)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000428669999 975965046 /nfs/dbraw/zinc/96/50/46/975965046.db2.gz LGVFFETXQHYTAX-UHFFFAOYSA-N 1 0 405.863 3.542 20 5 HHBDRO Cc1c(NC(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000429224558 976517652 /nfs/dbraw/zinc/51/76/52/976517652.db2.gz XUAJWZPFFWNXFP-HOTGVXAUSA-N 1 0 404.511 3.646 20 5 HHBDRO CC(C)([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] ZINC000429246013 976536283 /nfs/dbraw/zinc/53/62/83/976536283.db2.gz MIKFZGNIHKBDEM-CQSZACIVSA-N 1 0 409.280 3.622 20 5 HHBDRO Cc1noc(C[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000429470948 976738382 /nfs/dbraw/zinc/73/83/82/976738382.db2.gz OARKHVUTNHSLQN-LIRRHRJNSA-N 1 0 409.446 3.577 20 5 HHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C12CCCCC2 ZINC000429787027 977067819 /nfs/dbraw/zinc/06/78/19/977067819.db2.gz MKHMDWBKBWTJEF-MDASCCDHSA-N 1 0 405.495 3.648 20 5 HHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C12CCCCC2 ZINC000429787034 977067882 /nfs/dbraw/zinc/06/78/82/977067882.db2.gz MKHMDWBKBWTJEF-ZOCIIQOWSA-N 1 0 405.495 3.648 20 5 HHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000429870592 977145214 /nfs/dbraw/zinc/14/52/14/977145214.db2.gz JBVJLVLHYKTHST-BBRMVZONSA-N 1 0 418.291 3.923 20 5 HHBDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000430084422 977312367 /nfs/dbraw/zinc/31/23/67/977312367.db2.gz KRBCDXDCLAWHSP-CTNGQTDRSA-N 1 0 414.458 3.645 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000430424476 977537063 /nfs/dbraw/zinc/53/70/63/977537063.db2.gz IZJLLXHPFGPUFD-FUHWJXTLSA-N 1 0 411.506 3.719 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000430619306 977656923 /nfs/dbraw/zinc/65/69/23/977656923.db2.gz AYMVVOFEQKJIMW-PXNSSMCTSA-N 1 0 419.485 3.563 20 5 HHBDRO Cc1cc(OCC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000430784850 977755730 /nfs/dbraw/zinc/75/57/30/977755730.db2.gz RVFCAAJHALOZJW-QZTJIDSGSA-N 1 0 411.502 3.555 20 5 HHBDRO Cc1cc(OCC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000430817178 977774545 /nfs/dbraw/zinc/77/45/45/977774545.db2.gz QMYHHBVUVAKOTF-QUCCMNQESA-N 1 0 411.502 3.699 20 5 HHBDRO CCOc1cc(C(=O)N[C@H]2CCCC[C@H]2C[NH+](CC)CC)c([N+](=O)[O-])cc1OC ZINC000430839766 977792778 /nfs/dbraw/zinc/79/27/78/977792778.db2.gz PSXBZYMPYDRAIQ-RDJZCZTQSA-N 1 0 407.511 3.633 20 5 HHBDRO COc1cc(NC2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1 ZINC000431001816 977946778 /nfs/dbraw/zinc/94/67/78/977946778.db2.gz LJIJNDRQHDCXJJ-UHFFFAOYSA-N 1 0 401.463 3.567 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000431920056 978601508 /nfs/dbraw/zinc/60/15/08/978601508.db2.gz SENJBFUHIMYOTK-INIZCTEOSA-N 1 0 422.279 3.826 20 5 HHBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000433166452 979111970 /nfs/dbraw/zinc/11/19/70/979111970.db2.gz FXRYSCFNFQGKBM-VLIAUNLRSA-N 1 0 417.531 3.918 20 5 HHBDRO CC1(C)C[C@@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433170255 979114412 /nfs/dbraw/zinc/11/44/12/979114412.db2.gz VKJAXFXVWWXWOY-JOCHJYFZSA-N 1 0 423.513 3.807 20 5 HHBDRO CCn1cccc(C[NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1=O ZINC000433178926 979122039 /nfs/dbraw/zinc/12/20/39/979122039.db2.gz DMTDJYALQRLFPW-UHFFFAOYSA-N 1 0 423.469 3.654 20 5 HHBDRO COC[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000433199341 979136467 /nfs/dbraw/zinc/13/64/67/979136467.db2.gz LBAUYXBTAMFWRR-VXKWHMMOSA-N 1 0 422.485 3.731 20 5 HHBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433236770 979167939 /nfs/dbraw/zinc/16/79/39/979167939.db2.gz RYEZHCWSLKRONT-FQEVSTJZSA-N 1 0 415.515 3.647 20 5 HHBDRO COc1cc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000433434694 979303229 /nfs/dbraw/zinc/30/32/29/979303229.db2.gz FENKTFPJHTUIEH-UHFFFAOYSA-N 1 0 407.417 3.837 20 5 HHBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000434019261 979762824 /nfs/dbraw/zinc/76/28/24/979762824.db2.gz XJCMGZIFZOTWIB-JOCHJYFZSA-N 1 0 411.506 3.570 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434493202 980209655 /nfs/dbraw/zinc/20/96/55/980209655.db2.gz SGISUOHWYRWFKH-UHFFFAOYSA-N 1 0 401.438 3.893 20 5 HHBDRO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)C2)CN1 ZINC000435062225 980606162 /nfs/dbraw/zinc/60/61/62/980606162.db2.gz YEORLVLPOPQDFN-FQEVSTJZSA-N 1 0 401.850 3.753 20 5 HHBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435283377 980758461 /nfs/dbraw/zinc/75/84/61/980758461.db2.gz XGHFDCJUVCEOKM-GOSISDBHSA-N 1 0 423.448 3.938 20 5 HHBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435302173 980768135 /nfs/dbraw/zinc/76/81/35/980768135.db2.gz LITAYRVIIQSMOC-FQEVSTJZSA-N 1 0 405.458 3.799 20 5 HHBDRO O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000435370077 980819480 /nfs/dbraw/zinc/81/94/80/980819480.db2.gz HOQRWVHRAXAWLZ-SFHVURJKSA-N 1 0 409.421 3.630 20 5 HHBDRO O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000435378275 980826964 /nfs/dbraw/zinc/82/69/64/980826964.db2.gz HVZBVIPVCRBDQS-KRWDZBQOSA-N 1 0 409.421 3.630 20 5 HHBDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000435509368 980909076 /nfs/dbraw/zinc/90/90/76/980909076.db2.gz BUTQMRGGFHNPRL-UHFFFAOYSA-N 1 0 420.513 3.675 20 5 HHBDRO COc1cccc(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1[N+](=O)[O-] ZINC000435567872 980944727 /nfs/dbraw/zinc/94/47/27/980944727.db2.gz RQMHUNKKFVHZAN-HXUWFJFHSA-N 1 0 411.502 3.806 20 5 HHBDRO COc1cccc(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1[N+](=O)[O-] ZINC000435567870 980944861 /nfs/dbraw/zinc/94/48/61/980944861.db2.gz RQMHUNKKFVHZAN-FQEVSTJZSA-N 1 0 411.502 3.806 20 5 HHBDRO O=C([C@@H]1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1)N1CCCC1 ZINC000435746533 981013755 /nfs/dbraw/zinc/01/37/55/981013755.db2.gz YHNPIANWSWYFJI-CVEARBPZSA-N 1 0 400.504 3.599 20 5 HHBDRO C[S@@](=O)C1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000435750093 981015299 /nfs/dbraw/zinc/01/52/99/981015299.db2.gz WPXQDKZCAQTTSX-SSEXGKCCSA-N 1 0 424.526 3.838 20 5 HHBDRO CC1CC[NH+](CCCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000435827550 981049149 /nfs/dbraw/zinc/04/91/49/981049149.db2.gz QDGRGIDRNKVVJV-UHFFFAOYSA-N 1 0 413.468 3.811 20 5 HHBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000435940431 981104442 /nfs/dbraw/zinc/10/44/42/981104442.db2.gz IQBLTJSSGJJAQB-UHFFFAOYSA-N 1 0 421.447 3.951 20 5 HHBDRO C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[N@@H+]1CCCC[C@H]1C ZINC000436098550 981199245 /nfs/dbraw/zinc/19/92/45/981199245.db2.gz KEFBLHNIPRIWIT-ZIAGYGMSSA-N 1 0 413.468 3.952 20 5 HHBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436099459 981199669 /nfs/dbraw/zinc/19/96/69/981199669.db2.gz MDNBPTYMWBHZOX-UHFFFAOYSA-N 1 0 411.505 3.860 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436249415 981268441 /nfs/dbraw/zinc/26/84/41/981268441.db2.gz VJFYLHTVKHRUFF-AWEZNQCLSA-N 1 0 413.468 3.810 20 5 HHBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000436341091 981311190 /nfs/dbraw/zinc/31/11/90/981311190.db2.gz NVJKDCKAOOINMK-HNNXBMFYSA-N 1 0 410.396 3.577 20 5 HHBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000436385517 981340240 /nfs/dbraw/zinc/34/02/40/981340240.db2.gz IBZDAOABKYNSAW-UHFFFAOYSA-N 1 0 410.396 3.577 20 5 HHBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000437041235 981711940 /nfs/dbraw/zinc/71/19/40/981711940.db2.gz VLKGAODRFMYRIW-HXUWFJFHSA-N 1 0 422.529 3.789 20 5 HHBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460193479 981967787 /nfs/dbraw/zinc/96/77/87/981967787.db2.gz NTDVQWRZAMBTST-UHFFFAOYSA-N 1 0 420.517 3.974 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000460351319 982123934 /nfs/dbraw/zinc/12/39/34/982123934.db2.gz AMAKDKHFQUNUEO-IRXDYDNUSA-N 1 0 421.501 3.891 20 5 HHBDRO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)CC2)cs1 ZINC000437528963 982155545 /nfs/dbraw/zinc/15/55/45/982155545.db2.gz WUVWZEQNUOPNIN-MRXNPFEDSA-N 1 0 404.536 3.775 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1OC ZINC000437863855 982419229 /nfs/dbraw/zinc/41/92/29/982419229.db2.gz DEUSOAKXOPORRX-INIZCTEOSA-N 1 0 405.495 3.529 20 5 HHBDRO C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000461441332 983105079 /nfs/dbraw/zinc/10/50/79/983105079.db2.gz GAFCNTLNAATHSY-YTQUADARSA-N 1 0 411.477 3.818 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461455605 983122131 /nfs/dbraw/zinc/12/21/31/983122131.db2.gz LSYVQGJLJGSWKG-RTWAWAEBSA-N 1 0 422.529 3.767 20 5 HHBDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000439105353 983251922 /nfs/dbraw/zinc/25/19/22/983251922.db2.gz CUTUEHXRDDMTNV-GOSISDBHSA-N 1 0 419.909 3.996 20 5 HHBDRO C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000439440602 983410354 /nfs/dbraw/zinc/41/03/54/983410354.db2.gz OMROPVGXIPIXRF-MEDUHNTESA-N 1 0 413.243 3.587 20 5 HHBDRO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000439475790 983424139 /nfs/dbraw/zinc/42/41/39/983424139.db2.gz FJWWTEAXDLAQAV-YCRPNKLZSA-N 1 0 414.462 3.589 20 5 HHBDRO COc1ccc(OCC[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000439734551 983519326 /nfs/dbraw/zinc/51/93/26/983519326.db2.gz QXYXXMLEIWZUHN-UHFFFAOYSA-N 1 0 423.473 3.647 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000439757392 983526797 /nfs/dbraw/zinc/52/67/97/983526797.db2.gz GPBFUODZWDMZRY-QGZVFWFLSA-N 1 0 423.517 3.545 20 5 HHBDRO CSc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000439766262 983529843 /nfs/dbraw/zinc/52/98/43/983529843.db2.gz HJATWMZMYOGODP-AWEZNQCLSA-N 1 0 400.504 3.667 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000439772109 983532799 /nfs/dbraw/zinc/53/27/99/983532799.db2.gz VTZJVWCLUSHKKG-JKSUJKDBSA-N 1 0 414.531 3.812 20 5 HHBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000439872741 983563822 /nfs/dbraw/zinc/56/38/22/983563822.db2.gz MSUJHMFGUSYCSS-ZWKOTPCHSA-N 1 0 417.531 3.655 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000439900602 983576250 /nfs/dbraw/zinc/57/62/50/983576250.db2.gz LQTGHZPWFYCBHP-UHFFFAOYSA-N 1 0 416.453 3.919 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000439913742 983581328 /nfs/dbraw/zinc/58/13/28/983581328.db2.gz MOFWQENRYDQWQS-GOSISDBHSA-N 1 0 412.490 3.680 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000440188655 983676112 /nfs/dbraw/zinc/67/61/12/983676112.db2.gz NWHCEMWFFMNFFJ-QGZVFWFLSA-N 1 0 423.517 3.889 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000440912833 983968854 /nfs/dbraw/zinc/96/88/54/983968854.db2.gz OWEAKGHTQXCCCK-YQQAZPJKSA-N 1 0 409.490 3.518 20 5 HHBDRO COc1ccc(OCC[NH+]2CCC(OCCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000441260059 984144319 /nfs/dbraw/zinc/14/43/19/984144319.db2.gz GCCPENIHAFXFLK-UHFFFAOYSA-N 1 0 400.475 3.706 20 5 HHBDRO COc1ccc(C[C@H]2CCC[N@H+](CCOc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000441491594 984283843 /nfs/dbraw/zinc/28/38/43/984283843.db2.gz YIFXPZGRZJHKRW-GOSISDBHSA-N 1 0 400.475 3.946 20 5 HHBDRO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000441816345 984473377 /nfs/dbraw/zinc/47/33/77/984473377.db2.gz CEYVRQPXSHRUSY-GOSISDBHSA-N 1 0 411.502 3.875 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)NC3CCC(C[NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000441919053 984539287 /nfs/dbraw/zinc/53/92/87/984539287.db2.gz AZIXOCIROBPHGI-MUYFXNHWSA-N 1 0 402.539 3.681 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NC3CCC(C[NH+](C)C)CC3)cc2[N+](=O)[O-])CC1 ZINC000441937627 984552043 /nfs/dbraw/zinc/55/20/43/984552043.db2.gz ANHZMTYNROXXKK-UHFFFAOYSA-N 1 0 402.539 3.681 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000462418894 985391904 /nfs/dbraw/zinc/39/19/04/985391904.db2.gz QTFHNPDBZWGXFW-LJQANCHMSA-N 1 0 410.518 3.944 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000462444086 985409692 /nfs/dbraw/zinc/40/96/92/985409692.db2.gz JLKXQICSUIFPLE-SFHVURJKSA-N 1 0 405.564 3.641 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCN([C@@H](C)c3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000462462594 985422290 /nfs/dbraw/zinc/42/22/90/985422290.db2.gz IAZXZJQCYNMPRJ-INIZCTEOSA-N 1 0 402.520 3.672 20 5 HHBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000443205661 985441766 /nfs/dbraw/zinc/44/17/66/985441766.db2.gz DOZFCDFISSETQZ-VDZJLULYSA-N 1 0 419.522 3.521 20 5 HHBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000443205659 985441844 /nfs/dbraw/zinc/44/18/44/985441844.db2.gz DOZFCDFISSETQZ-IEZWGBDMSA-N 1 0 419.522 3.521 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000462513834 985464401 /nfs/dbraw/zinc/46/44/01/985464401.db2.gz TXQOOZPYRPWPKB-HXUWFJFHSA-N 1 0 410.518 3.550 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000462513832 985464625 /nfs/dbraw/zinc/46/46/25/985464625.db2.gz TXQOOZPYRPWPKB-FQEVSTJZSA-N 1 0 410.518 3.550 20 5 HHBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000443344832 985509496 /nfs/dbraw/zinc/50/94/96/985509496.db2.gz SAFUHLKDBXWANQ-MNOVXSKESA-N 1 0 401.282 3.509 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000443344807 985509668 /nfs/dbraw/zinc/50/96/68/985509668.db2.gz RYBIILVJCQKTKQ-SECBINFHSA-N 1 0 414.281 3.717 20 5 HHBDRO O=C1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1CCOc1ccccc1 ZINC000462727294 985674486 /nfs/dbraw/zinc/67/44/86/985674486.db2.gz CNCFCMVTZBLYMC-QGZVFWFLSA-N 1 0 421.453 3.624 20 5 HHBDRO CNc1c(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000462899850 985828961 /nfs/dbraw/zinc/82/89/61/985828961.db2.gz FFABHYSJBMUAMF-FQEVSTJZSA-N 1 0 412.490 3.602 20 5 HHBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000443683855 985895591 /nfs/dbraw/zinc/89/55/91/985895591.db2.gz KHAJJYPMWSCMAY-UHFFFAOYSA-N 1 0 417.531 3.590 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000462996400 985946002 /nfs/dbraw/zinc/94/60/02/985946002.db2.gz YPLKUUDPVAFBPR-VXKWHMMOSA-N 1 0 409.530 3.844 20 5 HHBDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCCC1)c1ccccc1 ZINC000443766197 985976867 /nfs/dbraw/zinc/97/68/67/985976867.db2.gz VYDAPPIXDSHHMB-QGZVFWFLSA-N 1 0 417.531 3.678 20 5 HHBDRO CC(C)NC(=O)c1ccc(N2CCC(CCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000443890911 986091263 /nfs/dbraw/zinc/09/12/63/986091263.db2.gz XISJCDYRSCELQU-UHFFFAOYSA-N 1 0 402.539 3.825 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000443951161 986158573 /nfs/dbraw/zinc/15/85/73/986158573.db2.gz XKHORTIDDWXCRU-KRWDZBQOSA-N 1 0 411.506 3.544 20 5 HHBDRO O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000444013293 986207522 /nfs/dbraw/zinc/20/75/22/986207522.db2.gz XGOSPXBZENVEDO-INIZCTEOSA-N 1 0 411.452 3.660 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000463271679 986238707 /nfs/dbraw/zinc/23/87/07/986238707.db2.gz HIXKGIAEKKQCSE-VGSWGCGISA-N 1 0 408.502 3.789 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000463276434 986243403 /nfs/dbraw/zinc/24/34/03/986243403.db2.gz PDWVQXPJZPIYLV-DYESRHJHSA-N 1 0 408.502 3.789 20 5 HHBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444098568 986296709 /nfs/dbraw/zinc/29/67/09/986296709.db2.gz YBMPHNXQPFOIAM-MRXNPFEDSA-N 1 0 407.489 3.768 20 5 HHBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444098567 986297252 /nfs/dbraw/zinc/29/72/52/986297252.db2.gz YBMPHNXQPFOIAM-INIZCTEOSA-N 1 0 407.489 3.768 20 5 HHBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444127661 986321833 /nfs/dbraw/zinc/32/18/33/986321833.db2.gz WQHLAOXUSBSUBO-CQSZACIVSA-N 1 0 413.468 3.763 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000468638086 986353760 /nfs/dbraw/zinc/35/37/60/986353760.db2.gz MPKMNCZJWRQTLB-SFQUDFHCSA-N 1 0 417.531 3.817 20 5 HHBDRO COc1ccc([C@H](C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000468643309 986358720 /nfs/dbraw/zinc/35/87/20/986358720.db2.gz OVQGKNVLAXTYRN-OTRAAIJSSA-N 1 0 411.502 3.670 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000468653817 986365742 /nfs/dbraw/zinc/36/57/42/986365742.db2.gz YLIKPAYYGBMWFH-UVTDQMKNSA-N 1 0 418.291 3.780 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1 ZINC000468653518 986365797 /nfs/dbraw/zinc/36/57/97/986365797.db2.gz WNMCLLIDBZVTPD-GZTJUZNOSA-N 1 0 405.458 3.623 20 5 HHBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000444247133 986440200 /nfs/dbraw/zinc/44/02/00/986440200.db2.gz KYSYZPORHDNUQX-YCRPNKLZSA-N 1 0 419.500 3.909 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000444900268 987049086 /nfs/dbraw/zinc/04/90/86/987049086.db2.gz RKZBZNNLZNJYMA-HOTGVXAUSA-N 1 0 412.490 3.882 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000444901228 987050054 /nfs/dbraw/zinc/05/00/54/987050054.db2.gz KVYITVUEYKMDEC-AYHJJNSGSA-N 1 0 410.474 3.921 20 5 HHBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000444901998 987050402 /nfs/dbraw/zinc/05/04/02/987050402.db2.gz UUHQIZCXBCGXTH-GOSISDBHSA-N 1 0 412.490 3.979 20 5 HHBDRO C[NH+](C)C1(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)Cc2ccccc2C1 ZINC000444995476 987124581 /nfs/dbraw/zinc/12/45/81/987124581.db2.gz HOIXMNLHDLKARL-UHFFFAOYSA-N 1 0 411.505 3.510 20 5 HHBDRO C[NH+](C)Cc1cc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)ccc1F ZINC000445003477 987133730 /nfs/dbraw/zinc/13/37/30/987133730.db2.gz IDLDEAQAQCTFGH-UHFFFAOYSA-N 1 0 403.457 3.812 20 5 HHBDRO C[NH+](C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCCCCC1 ZINC000445647520 987721792 /nfs/dbraw/zinc/72/17/92/987721792.db2.gz GJMZVFIUIOVDDB-UHFFFAOYSA-N 1 0 412.328 3.671 20 5 HHBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[N@H+](C)Cc1ccccc1 ZINC000445778478 987840961 /nfs/dbraw/zinc/84/09/61/987840961.db2.gz YFAJHRDYIBVJTP-AWEZNQCLSA-N 1 0 420.307 3.537 20 5 HHBDRO CNC(=O)c1ccc(N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000470048833 987938039 /nfs/dbraw/zinc/93/80/39/987938039.db2.gz YEZHWPFNBINHPS-UHFFFAOYSA-N 1 0 424.423 3.541 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2[N+](=O)[O-])C1 ZINC000463934319 988043855 /nfs/dbraw/zinc/04/38/55/988043855.db2.gz YRHZBXUACMQUHY-UXDRXVOSSA-N 1 0 400.523 3.576 20 5 HHBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000470155578 988066472 /nfs/dbraw/zinc/06/64/72/988066472.db2.gz ZNXLBQZJRMWTGO-VGSWGCGISA-N 1 0 424.501 3.911 20 5 HHBDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)cc1 ZINC000463960000 988072516 /nfs/dbraw/zinc/07/25/16/988072516.db2.gz WGADIRNBMVHQTE-UHFFFAOYSA-N 1 0 412.490 3.960 20 5 HHBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000470224971 988156132 /nfs/dbraw/zinc/15/61/32/988156132.db2.gz ZSWHUGMDDXPOOH-HNNXBMFYSA-N 1 0 400.504 3.522 20 5 HHBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000470355008 988321498 /nfs/dbraw/zinc/32/14/98/988321498.db2.gz NDTNBUJTNNYAJZ-VXKWHMMOSA-N 1 0 422.529 3.833 20 5 HHBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000470593789 988608675 /nfs/dbraw/zinc/60/86/75/988608675.db2.gz DOFWLAGPYDNIRZ-OAQYLSRUSA-N 1 0 422.485 3.735 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000464608473 988790573 /nfs/dbraw/zinc/79/05/73/988790573.db2.gz MYFZVTZLDPGZMA-OCCSQVGLSA-N 1 0 403.483 3.541 20 5 HHBDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000464737941 988958339 /nfs/dbraw/zinc/95/83/39/988958339.db2.gz QYJGATPMKNFUBA-INIZCTEOSA-N 1 0 401.429 3.650 20 5 HHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000464772279 988996094 /nfs/dbraw/zinc/99/60/94/988996094.db2.gz IVDGXWGBUXOMSH-YPMHNXCESA-N 1 0 416.341 3.902 20 5 HHBDRO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464778917 989006798 /nfs/dbraw/zinc/00/67/98/989006798.db2.gz TWYYCSJMEUJMDM-SFHVURJKSA-N 1 0 411.502 3.794 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nc(CN3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)co2)cc1 ZINC000470997258 989062640 /nfs/dbraw/zinc/06/26/40/989062640.db2.gz SXASMGRIRZMBFX-BGYRXZFFSA-N 1 0 404.470 3.814 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000464832848 989073079 /nfs/dbraw/zinc/07/30/79/989073079.db2.gz DFOHWNWRUJJLMJ-IEBWSBKVSA-N 1 0 410.518 3.827 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000464848819 989100194 /nfs/dbraw/zinc/10/01/94/989100194.db2.gz XTVFDXAIUHPLST-ICSRJNTNSA-N 1 0 410.518 3.684 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000471300178 989462339 /nfs/dbraw/zinc/46/23/39/989462339.db2.gz HDNDPZDEGRINNJ-UHFFFAOYSA-N 1 0 417.893 3.716 20 5 HHBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000465193128 989532069 /nfs/dbraw/zinc/53/20/69/989532069.db2.gz DGSRVMAIRWSYCM-GOSISDBHSA-N 1 0 402.539 3.539 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc1SC ZINC000471461844 989650747 /nfs/dbraw/zinc/65/07/47/989650747.db2.gz ISYQBTCNDHINJT-HNNXBMFYSA-N 1 0 417.531 3.966 20 5 HHBDRO COc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000471557913 989758511 /nfs/dbraw/zinc/75/85/11/989758511.db2.gz YLTPINLQCJHJTO-KPZWWZAWSA-N 1 0 423.416 3.626 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000471607988 989812110 /nfs/dbraw/zinc/81/21/10/989812110.db2.gz ANELRDQYLSDWGR-LPHOPBHVSA-N 1 0 407.474 3.793 20 5 HHBDRO C[C@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000471653123 989856993 /nfs/dbraw/zinc/85/69/93/989856993.db2.gz MPRJCRWCCPZXIG-VWDMACCTSA-N 1 0 414.428 3.760 20 5 HHBDRO CC[NH+]1CCN(c2cccc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000471656950 989859876 /nfs/dbraw/zinc/85/98/76/989859876.db2.gz VHWVQQGOCRTDIL-INIZCTEOSA-N 1 0 414.531 3.856 20 5 HHBDRO CCCOc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCCC ZINC000466038126 991208742 /nfs/dbraw/zinc/20/87/42/991208742.db2.gz KEQUWGVIQPGCKW-CABCVRRESA-N 1 0 408.499 3.777 20 5 HHBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000466156647 991344194 /nfs/dbraw/zinc/34/41/94/991344194.db2.gz FDOXESNCUJQATD-HXUWFJFHSA-N 1 0 410.518 3.691 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCc2cn3c(n2)SCC3)cc1[N+](=O)[O-] ZINC000466467332 991758008 /nfs/dbraw/zinc/75/80/08/991758008.db2.gz VHROKKUOBGZMPU-UHFFFAOYSA-N 1 0 409.515 3.997 20 5 HHBDRO CC[NH+](CC)CCOC1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000467012805 992319964 /nfs/dbraw/zinc/31/99/64/992319964.db2.gz FQXNNQZHCDPTOO-UHFFFAOYSA-N 1 0 413.522 3.687 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1SC ZINC000467047990 992357385 /nfs/dbraw/zinc/35/73/85/992357385.db2.gz SXCCIDMDBRCCAF-ZBFHGGJFSA-N 1 0 415.515 3.718 20 5 HHBDRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000467559956 992840648 /nfs/dbraw/zinc/84/06/48/992840648.db2.gz MTSRGXOWPZETCD-YCRPNKLZSA-N 1 0 406.479 3.556 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[N@@H+]1Cc1ccccc1 ZINC000467691103 992946632 /nfs/dbraw/zinc/94/66/32/992946632.db2.gz LXGKCMPGTWJEAG-NQIIRXRSSA-N 1 0 422.529 3.590 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000472297435 993311447 /nfs/dbraw/zinc/31/14/47/993311447.db2.gz QXCVGUOCIFPXQO-LJQANCHMSA-N 1 0 424.501 3.516 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472487432 993489495 /nfs/dbraw/zinc/48/94/95/993489495.db2.gz UYKNVVCDHVUFBQ-OAQYLSRUSA-N 1 0 410.518 3.828 20 5 HHBDRO CC[NH+]1CCN(c2cccc(NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000472621407 993566279 /nfs/dbraw/zinc/56/62/79/993566279.db2.gz XIUCTCOBHHJJFE-UHFFFAOYSA-N 1 0 420.517 3.749 20 5 HHBDRO CCC[C@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000480755712 993621944 /nfs/dbraw/zinc/62/19/44/993621944.db2.gz HPBKWQOBFLUNQK-SFHVURJKSA-N 1 0 402.495 3.670 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481170287 994000929 /nfs/dbraw/zinc/00/09/29/994000929.db2.gz OWXBNNTZJLEDFF-KXBFYZLASA-N 1 0 416.909 3.687 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000473313324 994174004 /nfs/dbraw/zinc/17/40/04/994174004.db2.gz WXSHCZWDUNEUQD-IBGZPJMESA-N 1 0 411.505 3.933 20 5 HHBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000481445139 994282064 /nfs/dbraw/zinc/28/20/64/994282064.db2.gz QJOUOFWPKQDKFA-RNODOKPDSA-N 1 0 403.866 3.503 20 5 HHBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473506254 994356090 /nfs/dbraw/zinc/35/60/90/994356090.db2.gz RLYCFCGWCCYYCM-HSZRJFAPSA-N 1 0 419.485 3.599 20 5 HHBDRO Cc1cc(NCc2ccnc(OCC[NH+](C)C)c2)c(Br)cc1[N+](=O)[O-] ZINC000473529773 994387435 /nfs/dbraw/zinc/38/74/35/994387435.db2.gz JSAOKKUFPQAPHG-UHFFFAOYSA-N 1 0 409.284 3.613 20 5 HHBDRO CC(C)(C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000473530056 994387667 /nfs/dbraw/zinc/38/76/67/994387667.db2.gz WZHUJBVFXRUOJW-UHFFFAOYSA-N 1 0 413.440 3.794 20 5 HHBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481673772 994534182 /nfs/dbraw/zinc/53/41/82/994534182.db2.gz UCZFBWIPRZNBNN-YVEFUNNKSA-N 1 0 411.911 3.958 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000473670350 994558607 /nfs/dbraw/zinc/55/86/07/994558607.db2.gz KOQMECOMVAYONA-AWEZNQCLSA-N 1 0 410.257 3.805 20 5 HHBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000481762343 994615614 /nfs/dbraw/zinc/61/56/14/994615614.db2.gz SGNQUVLTMPKBAM-FUHWJXTLSA-N 1 0 418.519 3.840 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@H](CO)[C@H]3CCOC3)cc2[N+](=O)[O-])cc1 ZINC000481821414 994671626 /nfs/dbraw/zinc/67/16/26/994671626.db2.gz ZLTBHIWMWOIXDV-ZWKOTPCHSA-N 1 0 402.516 3.789 20 5 HHBDRO Cc1cc(NC(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000473770697 994690769 /nfs/dbraw/zinc/69/07/69/994690769.db2.gz MOIFCQFIGXWFSQ-OAHLLOKOSA-N 1 0 415.469 3.677 20 5 HHBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481869064 994731916 /nfs/dbraw/zinc/73/19/16/994731916.db2.gz VZKANSSIFHCESQ-LEWJYISDSA-N 1 0 423.513 3.877 20 5 HHBDRO COc1cccc([C@H]2[C@@H](NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC[N@@H+]2C2CC2)c1 ZINC000482042753 994962981 /nfs/dbraw/zinc/96/29/81/994962981.db2.gz CUZYBKSPMJPQPB-AVRDEDQJSA-N 1 0 420.469 3.793 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)cc1[N+](=O)[O-] ZINC000473983607 994970551 /nfs/dbraw/zinc/97/05/51/994970551.db2.gz MMDBUKFVEKGJLR-OAQYLSRUSA-N 1 0 402.422 3.835 20 5 HHBDRO CC[C@H]([NH2+]C1CCN(C(=O)Cc2ccccc2OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482109415 995056770 /nfs/dbraw/zinc/05/67/70/995056770.db2.gz KOLOZTBUWIYMEO-NRFANRHFSA-N 1 0 411.502 3.878 20 5 HHBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000482150782 995103938 /nfs/dbraw/zinc/10/39/38/995103938.db2.gz MBXIPOKUAUPDOS-FQEVSTJZSA-N 1 0 409.490 3.891 20 5 HHBDRO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474237379 995235087 /nfs/dbraw/zinc/23/50/87/995235087.db2.gz YLVAZEYQKVTYFC-OAQYLSRUSA-N 1 0 406.486 3.999 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cc(C[NH+](C)C)ccn3)cc2[N+](=O)[O-])C1 ZINC000482361141 995342493 /nfs/dbraw/zinc/34/24/93/995342493.db2.gz GDFLHCPTXZWLPF-IYBDPMFKSA-N 1 0 411.506 3.786 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)cc1[N+](=O)[O-] ZINC000474365101 995345161 /nfs/dbraw/zinc/34/51/61/995345161.db2.gz GLJHWEIHMYNFAS-UHFFFAOYSA-N 1 0 417.849 3.614 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000474374261 995353246 /nfs/dbraw/zinc/35/32/46/995353246.db2.gz RYAPETOVBAGZQY-OCCSQVGLSA-N 1 0 404.385 3.605 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NC3CC[NH+](C4CCCC4)CC3)cc2[N+](=O)[O-])CC1 ZINC000482623201 995618914 /nfs/dbraw/zinc/61/89/14/995618914.db2.gz ZNYZOMMOTDFXIS-UHFFFAOYSA-N 1 0 414.550 3.968 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC3CC[NH+](C4CCCC4)CC3)cc2[N+](=O)[O-])C1 ZINC000482625919 995620220 /nfs/dbraw/zinc/62/02/20/995620220.db2.gz CHVPRMQSVIJRHP-QGZVFWFLSA-N 1 0 414.550 3.968 20 5 HHBDRO CC(C)(CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C[NH+]1CCCC1 ZINC000482985219 995902039 /nfs/dbraw/zinc/90/20/39/995902039.db2.gz RTBACYLGEVYCQS-UHFFFAOYSA-N 1 0 413.468 3.811 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1CNC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475357323 996087759 /nfs/dbraw/zinc/08/77/59/996087759.db2.gz RBYNCCXWKDNUOT-UHFFFAOYSA-N 1 0 401.429 3.888 20 5 HHBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C[C@H]1[NH+]1CCCC1 ZINC000483374463 996135740 /nfs/dbraw/zinc/13/57/40/996135740.db2.gz AKOVLPFCXQUQID-MJGOQNOKSA-N 1 0 423.604 3.995 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483407991 996158767 /nfs/dbraw/zinc/15/87/67/996158767.db2.gz OPFJUGGKUSADJD-OAQYLSRUSA-N 1 0 401.438 3.735 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483417037 996164732 /nfs/dbraw/zinc/16/47/32/996164732.db2.gz XYJIRAOWBFHYHS-NRFANRHFSA-N 1 0 401.438 3.735 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000483496263 996218497 /nfs/dbraw/zinc/21/84/97/996218497.db2.gz DOJZREKGDBZUPP-UHFFFAOYSA-N 1 0 423.473 3.753 20 5 HHBDRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc3cc(OC)ccc3c2)cc1[N+](=O)[O-] ZINC000475558850 996218512 /nfs/dbraw/zinc/21/85/12/996218512.db2.gz HNDBYMYHSDAFPK-UHFFFAOYSA-N 1 0 424.453 3.940 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000475567590 996222651 /nfs/dbraw/zinc/22/26/51/996222651.db2.gz DGTDUFZBVDBLOV-IAGOWNOFSA-N 1 0 404.511 3.565 20 5 HHBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)c1ccco1 ZINC000483548326 996244210 /nfs/dbraw/zinc/24/42/10/996244210.db2.gz KQRGEDAOWVNYHW-MLGOLLRUSA-N 1 0 418.450 3.534 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@@]4(CCOC4)OC(C)(C)C3)o2)c([N+](=O)[O-])c1 ZINC000475644864 996273701 /nfs/dbraw/zinc/27/37/01/996273701.db2.gz YROXTCVKSDPSMF-OAQYLSRUSA-N 1 0 402.447 3.633 20 5 HHBDRO COC(=O)COc1ccc(C[NH+]2CCC(OC3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000475702480 996310160 /nfs/dbraw/zinc/31/01/60/996310160.db2.gz UFWMQFIIKSFTHS-UHFFFAOYSA-N 1 0 420.506 3.706 20 5 HHBDRO CC(C)[C@](C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1 ZINC000484324929 996704378 /nfs/dbraw/zinc/70/43/78/996704378.db2.gz KSLDEIFJZBSNOD-SFHVURJKSA-N 1 0 408.296 3.680 20 5 HHBDRO CSc1cccc(N(C(=O)COc2ccccc2[N+](=O)[O-])C2CC[NH+](C)CC2)c1 ZINC000484408362 996752030 /nfs/dbraw/zinc/75/20/30/996752030.db2.gz UPEXMOINQXCQNB-UHFFFAOYSA-N 1 0 415.515 3.823 20 5 HHBDRO CCc1cc(N2CCC(OCCC[NH+](C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000484817402 997175642 /nfs/dbraw/zinc/17/56/42/997175642.db2.gz WXKOVHKYCWNGMZ-UHFFFAOYSA-N 1 0 413.522 3.551 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000484865653 997229579 /nfs/dbraw/zinc/22/95/79/997229579.db2.gz OMUTUYFKEYXHDS-NSHDSACASA-N 1 0 413.352 3.791 20 5 HHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485336607 997752904 /nfs/dbraw/zinc/75/29/04/997752904.db2.gz HOZHNOGMJUEMLE-KAGYGMCKSA-N 1 0 422.529 3.908 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000477116638 997771756 /nfs/dbraw/zinc/77/17/56/997771756.db2.gz DIQCWKAGLGVHTO-QGZVFWFLSA-N 1 0 409.552 3.568 20 5 HHBDRO O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)C1CC[NH+](C2CC2)CC1 ZINC000485492953 997946767 /nfs/dbraw/zinc/94/67/67/997946767.db2.gz OGERTGRJZKXPIG-UHFFFAOYSA-N 1 0 421.457 3.853 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485632344 998077587 /nfs/dbraw/zinc/07/75/87/998077587.db2.gz RODJPWTUFLQMIS-INIZCTEOSA-N 1 0 405.401 3.591 20 5 HHBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000477473874 998192973 /nfs/dbraw/zinc/19/29/73/998192973.db2.gz GKAXZTKLFQBETM-UHFFFAOYSA-N 1 0 420.872 3.710 20 5 HHBDRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000477491263 998212252 /nfs/dbraw/zinc/21/22/52/998212252.db2.gz QBOAFVMIOGCCJB-UHFFFAOYSA-N 1 0 416.275 3.525 20 5 HHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000477606583 998323205 /nfs/dbraw/zinc/32/32/05/998323205.db2.gz FQOITYOZSJYYIL-QGZVFWFLSA-N 1 0 401.894 3.851 20 5 HHBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000485913275 998363910 /nfs/dbraw/zinc/36/39/10/998363910.db2.gz JGUBMXFWAWMHQE-UWJYYQICSA-N 1 0 411.502 3.976 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000477728908 998459981 /nfs/dbraw/zinc/45/99/81/998459981.db2.gz ALTXCCYBRUQCCU-UHFFFAOYSA-N 1 0 408.458 3.533 20 5 HHBDRO COc1cccc([C@@H]2[C@@H](NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000486222028 998657854 /nfs/dbraw/zinc/65/78/54/998657854.db2.gz MNKJOWKVEUQHBB-KBJGYGKASA-N 1 0 424.501 3.942 20 5 HHBDRO O=C1[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCN1Cc1ccc(F)cc1 ZINC000477924174 998660441 /nfs/dbraw/zinc/66/04/41/998660441.db2.gz DQAQLCAEASRITP-IOMROCGXSA-N 1 0 411.477 3.836 20 5 HHBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000486333163 998716219 /nfs/dbraw/zinc/71/62/19/998716219.db2.gz HTPLLNMMVTYPJB-GHTZIAJQSA-N 1 0 409.486 3.730 20 5 HHBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000486333165 998716334 /nfs/dbraw/zinc/71/63/34/998716334.db2.gz HTPLLNMMVTYPJB-RXVVDRJESA-N 1 0 409.486 3.730 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478050795 998736625 /nfs/dbraw/zinc/73/66/25/998736625.db2.gz AEDPZBQOIBFQGT-GOSISDBHSA-N 1 0 402.539 3.818 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])Cc1ccccc1 ZINC000486493119 998793217 /nfs/dbraw/zinc/79/32/17/998793217.db2.gz YEQLYVBACOJDGN-KRWDZBQOSA-N 1 0 401.532 4.000 20 5 HHBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000478174972 998803064 /nfs/dbraw/zinc/80/30/64/998803064.db2.gz IXPCUFMZQILGQT-IBGZPJMESA-N 1 0 403.866 3.580 20 5 HHBDRO COC(=O)c1cnc(NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000478284333 998864343 /nfs/dbraw/zinc/86/43/43/998864343.db2.gz IYLOMBRSHDAGHE-IYBDPMFKSA-N 1 0 412.490 3.866 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[NH+]2CCCC2)cc1 ZINC000486674732 998887998 /nfs/dbraw/zinc/88/79/98/998887998.db2.gz JNJHIVYJVJTCTN-JOCHJYFZSA-N 1 0 419.485 3.656 20 5 HHBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC1CC[NH+](CC2CCCC2)CC1 ZINC000478443226 998961453 /nfs/dbraw/zinc/96/14/53/998961453.db2.gz CAZFJFTUKCKHIB-UHFFFAOYSA-N 1 0 409.914 3.788 20 5 HHBDRO COc1cc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(OC)c1OC ZINC000487194484 999093539 /nfs/dbraw/zinc/09/35/39/999093539.db2.gz IIPZDLWFMQXLRU-UHFFFAOYSA-N 1 0 400.353 3.929 20 5 HHBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000478779318 999137049 /nfs/dbraw/zinc/13/70/49/999137049.db2.gz IVCACRACFFDZBQ-UHFFFAOYSA-N 1 0 406.870 3.853 20 5 HHBDRO CC[C@H](NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000487746706 999275505 /nfs/dbraw/zinc/27/55/05/999275505.db2.gz CISIMIKIXJZQLU-FQEVSTJZSA-N 1 0 411.506 3.928 20 5 HHBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000479505478 999448692 /nfs/dbraw/zinc/44/86/92/999448692.db2.gz NCXUOMJCFBBQPV-UHFFFAOYSA-N 1 0 410.312 3.742 20 5 HHBDRO CC(C)c1ccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1[N+](=O)[O-] ZINC000479586561 999491123 /nfs/dbraw/zinc/49/11/23/999491123.db2.gz GEJQTOUWFQAPJV-UHFFFAOYSA-N 1 0 421.494 3.687 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000488482175 999502782 /nfs/dbraw/zinc/50/27/82/999502782.db2.gz RBMRHNZDXZKRLU-UWJYYQICSA-N 1 0 406.486 3.576 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000488663989 999563686 /nfs/dbraw/zinc/56/36/86/999563686.db2.gz HMZYSQBDWSFMQN-SFHVURJKSA-N 1 0 400.479 3.868 20 5 HHBDRO O=C(CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1cc(Cl)ccc1Cl ZINC000488766667 999600944 /nfs/dbraw/zinc/60/09/44/999600944.db2.gz NFDJUNHOENPDPW-UHFFFAOYSA-N 1 0 412.277 3.764 20 5 HHBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000488866991 999631284 /nfs/dbraw/zinc/63/12/84/999631284.db2.gz GWQXPUVHNBKNQH-KRWDZBQOSA-N 1 0 424.501 3.664 20 5 HHBDRO COc1cccc(C2=CC[N@H+](CCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000479886401 999636905 /nfs/dbraw/zinc/63/69/05/999636905.db2.gz MUHSQEJHZZLIMJ-UHFFFAOYSA-N 1 0 411.458 3.730 20 5 HHBDRO COc1cc(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc([N+](=O)[O-])c1C ZINC000480030836 999693922 /nfs/dbraw/zinc/69/39/22/999693922.db2.gz SHCXOWHMMCUSSW-UHFFFAOYSA-N 1 0 411.502 3.896 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)C1CC1 ZINC000480085490 999713296 /nfs/dbraw/zinc/71/32/96/999713296.db2.gz LPQDLOGDWSQEEV-JTHBVZDNSA-N 1 0 413.493 3.718 20 5 HHBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000489166264 999714979 /nfs/dbraw/zinc/71/49/79/999714979.db2.gz IGGTUURJRHMGAQ-QUCCMNQESA-N 1 0 410.518 3.828 20 5 HHBDRO O=C(CN1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1)Nc1ccccc1 ZINC000480310702 999768275 /nfs/dbraw/zinc/76/82/75/999768275.db2.gz NVWWRQSAJVTNDJ-QFIPXVFZSA-N 1 0 422.529 3.609 20 5 HHBDRO CC[NH+]1CCN(Cc2ccccc2CNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000480399155 999789686 /nfs/dbraw/zinc/78/96/86/999789686.db2.gz VKXUEAMOOLVTMW-UHFFFAOYSA-N 1 0 405.502 3.893 20 5 HHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000480404081 999790870 /nfs/dbraw/zinc/79/08/70/999790870.db2.gz OEUVLQFPVKYRDT-QFBILLFUSA-N 1 0 419.485 3.807 20 5 HHBDRO Cc1c(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000480439087 999799415 /nfs/dbraw/zinc/79/94/15/999799415.db2.gz CARLHCQZQCWOCZ-UHFFFAOYSA-N 1 0 420.307 3.792 20 5 HHBDRO O=C(c1cc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000480500863 999812865 /nfs/dbraw/zinc/81/28/65/999812865.db2.gz RKYFWCQHDKFDGY-LJQANCHMSA-N 1 0 408.502 3.765 20 5 HHBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000480509798 999815007 /nfs/dbraw/zinc/81/50/07/999815007.db2.gz JOCOZGFCZRICRO-UHFFFAOYSA-N 1 0 421.501 3.647 20 5 HHBDRO CCC[C@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000480544218 999822920 /nfs/dbraw/zinc/82/29/20/999822920.db2.gz ZAHZMSJCUXAPCC-SFHVURJKSA-N 1 0 402.495 3.670 20 5 HHBDRO CCC[C@@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000480544217 999822951 /nfs/dbraw/zinc/82/29/51/999822951.db2.gz ZAHZMSJCUXAPCC-GOSISDBHSA-N 1 0 402.495 3.670 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000480656560 999852505 /nfs/dbraw/zinc/85/25/05/999852505.db2.gz AGJGMCMOTYFZDK-LBPRGKRZSA-N 1 0 401.854 3.642 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000480696574 999862038 /nfs/dbraw/zinc/86/20/38/999862038.db2.gz XWMAYQABJXKQIP-GFCCVEGCSA-N 1 0 401.854 3.642 20 5 HHBDRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000489952902 999868653 /nfs/dbraw/zinc/86/86/53/999868653.db2.gz KPIQYJSYQRCJRW-HXUWFJFHSA-N 1 0 402.470 3.958 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490370673 999946414 /nfs/dbraw/zinc/94/64/14/999946414.db2.gz OLMJABUFVIAUBO-IBGZPJMESA-N 1 0 400.422 3.640 20 5 HHBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000490542809 999974955 /nfs/dbraw/zinc/97/49/55/999974955.db2.gz KBQGYFXDHBUBCE-UKRRQHHQSA-N 1 0 401.454 3.552 20 5 HHBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490843016 1000014990 /nfs/dbraw/zinc/01/49/90/1000014990.db2.gz NWLMLPIHSIRXPL-CRAIPNDOSA-N 1 0 401.894 3.818 20 5 HHBDRO COc1cc(C[NH2+]Cc2ccc(-n3cccn3)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491017568 1000034341 /nfs/dbraw/zinc/03/43/41/1000034341.db2.gz FTNFXLXEAQKIJN-UHFFFAOYSA-N 1 0 418.400 3.723 20 5 HHBDRO CCOc1cc(C[NH+]2CCC(C(=O)Nc3ccccc3OC)CC2)ccc1[N+](=O)[O-] ZINC000492647748 1000136746 /nfs/dbraw/zinc/13/67/46/1000136746.db2.gz FCRDKDSUSROAFI-UHFFFAOYSA-N 1 0 413.474 3.853 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000492654175 1000136938 /nfs/dbraw/zinc/13/69/38/1000136938.db2.gz NUZLHSYIVIQZTE-HNNXBMFYSA-N 1 0 417.428 3.616 20 5 HHBDRO Cc1cc(C)c(S(=O)(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000493183966 1000162140 /nfs/dbraw/zinc/16/21/40/1000162140.db2.gz UZCWOECOWVAZDM-UHFFFAOYSA-N 1 0 403.504 3.649 20 5 HHBDRO COc1cc(C(=O)NCC[NH+]2CCCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000493461784 1000174984 /nfs/dbraw/zinc/17/49/84/1000174984.db2.gz OXQAPHPRVAZXAB-UHFFFAOYSA-N 1 0 419.865 3.875 20 5 HHBDRO COc1cc(CN[C@H]2CC[N@H+](CC3CCCC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493669915 1000184148 /nfs/dbraw/zinc/18/41/48/1000184148.db2.gz QCYQLQHOSBEENQ-INIZCTEOSA-N 1 0 413.465 3.601 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494012626 1000267022 /nfs/dbraw/zinc/26/70/22/1000267022.db2.gz QYZKRUHMKAEDHA-HNNXBMFYSA-N 1 0 400.422 3.638 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](CN4CCOCC4)C3)s2)cc1 ZINC000504560779 1000270262 /nfs/dbraw/zinc/27/02/62/1000270262.db2.gz KDHHXFLTNDFBOZ-KRWDZBQOSA-N 1 0 401.532 3.868 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCOc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000494130785 1000322546 /nfs/dbraw/zinc/32/25/46/1000322546.db2.gz MLVGNQSGMQBNCM-SFHVURJKSA-N 1 0 411.502 3.912 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494199625 1000358267 /nfs/dbraw/zinc/35/82/67/1000358267.db2.gz XJPIQAVNUCPUEW-CYBMUJFWSA-N 1 0 402.417 3.677 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504894789 1000433863 /nfs/dbraw/zinc/43/38/63/1000433863.db2.gz OEMGRLPFFQEZQD-CRAIPNDOSA-N 1 0 405.520 3.779 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000504896518 1000434608 /nfs/dbraw/zinc/43/46/08/1000434608.db2.gz YJNNKBVWJHHDLV-NQIIRXRSSA-N 1 0 413.518 3.588 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000504905504 1000439325 /nfs/dbraw/zinc/43/93/25/1000439325.db2.gz JMIZQWIRNRAEBB-HOCLYGCPSA-N 1 0 423.560 3.724 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494445677 1000495726 /nfs/dbraw/zinc/49/57/26/1000495726.db2.gz KCRZSVYNZIUHCM-MOFZMDFASA-N 1 0 419.865 3.704 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000494449444 1000498112 /nfs/dbraw/zinc/49/81/12/1000498112.db2.gz YHECLHFSNHFYBV-UHFFFAOYSA-N 1 0 411.506 3.794 20 5 HHBDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000494458712 1000502556 /nfs/dbraw/zinc/50/25/56/1000502556.db2.gz VMMKKRBSEVTGLD-UHFFFAOYSA-N 1 0 417.531 3.891 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000494478986 1000514439 /nfs/dbraw/zinc/51/44/39/1000514439.db2.gz WMDKUYNVBXXASS-FXAWDEMLSA-N 1 0 419.865 3.705 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494488957 1000519845 /nfs/dbraw/zinc/51/98/45/1000519845.db2.gz BPHRILIWRJUIED-PXNSSMCTSA-N 1 0 419.865 3.705 20 5 HHBDRO O=C1[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000494492778 1000522247 /nfs/dbraw/zinc/52/22/47/1000522247.db2.gz MGKBZHVVVNHLAR-GUDVDZBRSA-N 1 0 419.840 3.612 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494512226 1000533056 /nfs/dbraw/zinc/53/30/56/1000533056.db2.gz YFWZEQAAXMDDGO-LPHOPBHVSA-N 1 0 407.829 3.754 20 5 HHBDRO CC1CC[NH+](C2CCC(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CC2)CC1 ZINC000505123903 1000562636 /nfs/dbraw/zinc/56/26/36/1000562636.db2.gz OLQZYUXOOZCMEL-UHFFFAOYSA-N 1 0 411.506 3.553 20 5 HHBDRO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000505129527 1000565541 /nfs/dbraw/zinc/56/55/41/1000565541.db2.gz JDOCRGYPQYFAQC-SFHVURJKSA-N 1 0 401.413 3.641 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000494691636 1000606857 /nfs/dbraw/zinc/60/68/57/1000606857.db2.gz QOZJICFSWVPTSV-QHCPKHFHSA-N 1 0 409.486 3.732 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NCC3CC[NH+](C)CC3)cc2[N+](=O)[O-])n1 ZINC000505340522 1000712469 /nfs/dbraw/zinc/71/24/69/1000712469.db2.gz WRLWGLHZVSCEEU-UHFFFAOYSA-N 1 0 406.533 3.583 20 5 HHBDRO C[N@H+](C[C@H]1CCOC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000494964332 1000755153 /nfs/dbraw/zinc/75/51/53/1000755153.db2.gz OLACKJRMUCZERC-KUHUBIRLSA-N 1 0 403.866 3.896 20 5 HHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2C[C@H](O)CN2Cc2ccccc2)c2ccccc2)c1 ZINC000494969375 1000756996 /nfs/dbraw/zinc/75/69/96/1000756996.db2.gz MBPCARREFBOVJL-DSNGMDLFSA-N 1 0 417.509 3.909 20 5 HHBDRO CC(C)[NH2+]C1CCN([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000495030601 1000789097 /nfs/dbraw/zinc/78/90/97/1000789097.db2.gz YHSZFXBBDNJWDJ-CQSZACIVSA-N 1 0 417.535 3.508 20 5 HHBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000495107639 1000844628 /nfs/dbraw/zinc/84/46/28/1000844628.db2.gz JQKQQKNLSHXSAK-FDDCHVKYSA-N 1 0 417.513 3.974 20 5 HHBDRO COc1ccc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000495111586 1000847209 /nfs/dbraw/zinc/84/72/09/1000847209.db2.gz XHBRLICSOLXGML-PZJWPPBQSA-N 1 0 411.502 3.708 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000495172299 1000900146 /nfs/dbraw/zinc/90/01/46/1000900146.db2.gz JDWJLVOYCIDGOA-AZUAARDMSA-N 1 0 400.475 3.823 20 5 HHBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000505581222 1000919336 /nfs/dbraw/zinc/91/93/36/1000919336.db2.gz LOXBBSGIACEYPC-DJJJIMSYSA-N 1 0 420.307 3.707 20 5 HHBDRO COc1cc(C[NH2+][C@@](C)(CO)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505611470 1000934035 /nfs/dbraw/zinc/93/40/35/1000934035.db2.gz UUNDIIPDVLIWEP-IBGZPJMESA-N 1 0 402.438 3.668 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000505637103 1000947762 /nfs/dbraw/zinc/94/77/62/1000947762.db2.gz QUCWQAKKCGSVCG-CKFHNAJUSA-N 1 0 405.882 3.823 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000495350462 1000978825 /nfs/dbraw/zinc/97/88/25/1000978825.db2.gz GNQIBHDREQJAHF-SFHVURJKSA-N 1 0 421.563 3.670 20 5 HHBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N1CCOCC1 ZINC000495368233 1000986058 /nfs/dbraw/zinc/98/60/58/1000986058.db2.gz FQOADCAZKHMUNV-KKSFZXQISA-N 1 0 403.910 3.842 20 5 HHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)N1CCOCC1 ZINC000495368232 1000986275 /nfs/dbraw/zinc/98/62/75/1000986275.db2.gz FQOADCAZKHMUNV-IIBYNOLFSA-N 1 0 403.910 3.842 20 5 HHBDRO Cc1c(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000505755672 1001008286 /nfs/dbraw/zinc/00/82/86/1001008286.db2.gz VABAWRVFUUXYBV-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO Cc1c(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cccc1[N+](=O)[O-] ZINC000505795193 1001028672 /nfs/dbraw/zinc/02/86/72/1001028672.db2.gz IYEMIVZGXXREGU-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO Cc1cc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)ccc1[N+](=O)[O-] ZINC000505806276 1001035986 /nfs/dbraw/zinc/03/59/86/1001035986.db2.gz FFDKZRFMKOJGIP-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000505925340 1001105120 /nfs/dbraw/zinc/10/51/20/1001105120.db2.gz RLGQUEBXSMLXCW-QZTJIDSGSA-N 1 0 411.506 3.507 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000505925054 1001105242 /nfs/dbraw/zinc/10/52/42/1001105242.db2.gz NTQFVSYPRSFCDJ-MSOLQXFVSA-N 1 0 411.506 3.507 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1OC ZINC000505946374 1001120064 /nfs/dbraw/zinc/12/00/64/1001120064.db2.gz HXAQEMBUUOGLJZ-IAGOWNOFSA-N 1 0 419.522 3.729 20 5 HHBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000496613794 1001204856 /nfs/dbraw/zinc/20/48/56/1001204856.db2.gz CUDPYWNFUCWBFI-UHFFFAOYSA-N 1 0 407.511 3.586 20 5 HHBDRO CC(C)c1n[nH]c(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000496803738 1001229978 /nfs/dbraw/zinc/22/99/78/1001229978.db2.gz PUOJGPRSWLEVJZ-UHFFFAOYSA-N 1 0 419.913 3.833 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(COc2ccccc2)CC1 ZINC000496897698 1001244408 /nfs/dbraw/zinc/24/44/08/1001244408.db2.gz GZIWWUGQMBEEHR-UHFFFAOYSA-N 1 0 413.474 3.723 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000497328845 1001293992 /nfs/dbraw/zinc/29/39/92/1001293992.db2.gz GWGRUMIIYCRFCI-SFHVURJKSA-N 1 0 410.499 3.621 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000497386805 1001327451 /nfs/dbraw/zinc/32/74/51/1001327451.db2.gz MYVDOZZVXMOJAD-QGZVFWFLSA-N 1 0 411.380 3.569 20 5 HHBDRO COc1cc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000506464826 1001424957 /nfs/dbraw/zinc/42/49/57/1001424957.db2.gz DIVVJMHQNPMLTP-KRWDZBQOSA-N 1 0 421.444 3.911 20 5 HHBDRO C[C@@H]1C[C@@H](CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000497539236 1001426229 /nfs/dbraw/zinc/42/62/29/1001426229.db2.gz BGPQMYGYROAFSD-SJLPKXTDSA-N 1 0 417.531 3.711 20 5 HHBDRO CCOc1ccc(NC(=O)CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000506473778 1001428868 /nfs/dbraw/zinc/42/88/68/1001428868.db2.gz ZWXOHPAPTAWMOH-ROUUACIJSA-N 1 0 418.538 3.518 20 5 HHBDRO Cc1c(NC(=O)CCN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506482370 1001433506 /nfs/dbraw/zinc/43/35/06/1001433506.db2.gz SPQXFGGJRFAQKH-MJGOQNOKSA-N 1 0 402.539 3.818 20 5 HHBDRO Cc1c(NC(=O)CCN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506482369 1001433547 /nfs/dbraw/zinc/43/35/47/1001433547.db2.gz SPQXFGGJRFAQKH-IEBWSBKVSA-N 1 0 402.539 3.818 20 5 HHBDRO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000506559427 1001459233 /nfs/dbraw/zinc/45/92/33/1001459233.db2.gz DSYJFIJZYVZOFQ-UHFFFAOYSA-N 1 0 423.560 3.617 20 5 HHBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)c(OC)c1 ZINC000506640408 1001479989 /nfs/dbraw/zinc/47/99/89/1001479989.db2.gz YWAXXTLDEROXHD-XJKSGUPXSA-N 1 0 417.462 3.689 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NCC[N@H+]3CC=CCC3)cc2[N+](=O)[O-])n1 ZINC000506757329 1001515774 /nfs/dbraw/zinc/51/57/74/1001515774.db2.gz FMVJGIKFJJSOJB-UHFFFAOYSA-N 1 0 404.517 3.503 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H](C)O1 ZINC000506838678 1001558894 /nfs/dbraw/zinc/55/88/94/1001558894.db2.gz QBGUAOLBCSMNNU-HOTGVXAUSA-N 1 0 424.501 3.701 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](C(=O)NCC4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000507104436 1001811426 /nfs/dbraw/zinc/81/14/26/1001811426.db2.gz QWRVJIMGNIDGEZ-MRXNPFEDSA-N 1 0 413.474 3.602 20 5 HHBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000507126842 1001824738 /nfs/dbraw/zinc/82/47/38/1001824738.db2.gz NASZRMIIXUGPIS-UHFFFAOYSA-N 1 0 413.543 3.854 20 5 HHBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498477246 1001904519 /nfs/dbraw/zinc/90/45/19/1001904519.db2.gz YMHNSKDYNYROAE-UHFFFAOYSA-N 1 0 410.927 3.626 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498488892 1001914765 /nfs/dbraw/zinc/91/47/65/1001914765.db2.gz YMHJXIHVDDJSHM-UHFFFAOYSA-N 1 0 422.888 3.703 20 5 HHBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2)CC1 ZINC000498495070 1001920581 /nfs/dbraw/zinc/92/05/81/1001920581.db2.gz JZVDOLKDZQJMIS-LJQANCHMSA-N 1 0 414.550 3.779 20 5 HHBDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000507315165 1001994277 /nfs/dbraw/zinc/99/42/77/1001994277.db2.gz CGACZQRKALLDSQ-HNNXBMFYSA-N 1 0 423.560 3.617 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(F)cc1 ZINC000498733727 1002117961 /nfs/dbraw/zinc/11/79/61/1002117961.db2.gz LYMXBKXFPXHCHR-GOSISDBHSA-N 1 0 414.462 3.890 20 5 HHBDRO CC[N@H+](C)CCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000498748691 1002133005 /nfs/dbraw/zinc/13/30/05/1002133005.db2.gz YHGGBYQCWFLGTB-UHFFFAOYSA-N 1 0 407.854 3.731 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507607263 1002213368 /nfs/dbraw/zinc/21/33/68/1002213368.db2.gz SNHRLFZXHOJENV-UHFFFAOYSA-N 1 0 407.474 3.796 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)C1CC1 ZINC000507621514 1002225840 /nfs/dbraw/zinc/22/58/40/1002225840.db2.gz ORVHFOCPUIBCIP-UXHICEINSA-N 1 0 421.476 3.918 20 5 HHBDRO C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000507683456 1002276707 /nfs/dbraw/zinc/27/67/07/1002276707.db2.gz KHMXMPBNCHNLCG-BEFAXECRSA-N 1 0 403.429 3.929 20 5 HHBDRO C[NH+](C)C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000507995728 1002524566 /nfs/dbraw/zinc/52/45/66/1002524566.db2.gz WYKJVDGSZHPHPV-UHFFFAOYSA-N 1 0 405.502 3.974 20 5 HHBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000508220221 1002750028 /nfs/dbraw/zinc/75/00/28/1002750028.db2.gz SNDDTFJKLOJQHF-UHFFFAOYSA-N 1 0 413.468 3.908 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@H](CO)c3cccc(Cl)c3F)o2)c1 ZINC000499937765 1003260409 /nfs/dbraw/zinc/26/04/09/1003260409.db2.gz VJUWMABLUCLWMO-MRXNPFEDSA-N 1 0 405.813 3.908 20 5 HHBDRO COc1cc(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000508950140 1003405746 /nfs/dbraw/zinc/40/57/46/1003405746.db2.gz PWIILPXPURNWHA-OAQYLSRUSA-N 1 0 411.502 3.806 20 5 HHBDRO CN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000500152573 1003508344 /nfs/dbraw/zinc/50/83/44/1003508344.db2.gz XPNDKWUGLNBKQJ-UHFFFAOYSA-N 1 0 423.922 3.533 20 5 HHBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000500154343 1003509645 /nfs/dbraw/zinc/50/96/45/1003509645.db2.gz GDDHCXMYJDZKFZ-UHFFFAOYSA-N 1 0 408.502 3.838 20 5 HHBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000500386157 1003682359 /nfs/dbraw/zinc/68/23/59/1003682359.db2.gz MWSAWXDGLYKHMF-LJQANCHMSA-N 1 0 408.458 3.652 20 5 HHBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000500398622 1003692901 /nfs/dbraw/zinc/69/29/01/1003692901.db2.gz ZSJMCZXXEFNQLH-LJQANCHMSA-N 1 0 409.442 3.917 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000500400231 1003693583 /nfs/dbraw/zinc/69/35/83/1003693583.db2.gz SHBDZVXHEDPMPI-RBZFPXEDSA-N 1 0 404.850 3.825 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000500441845 1003720500 /nfs/dbraw/zinc/72/05/00/1003720500.db2.gz ZEVMAUZBLSTSQQ-IAGOWNOFSA-N 1 0 404.470 3.878 20 5 HHBDRO C[C@H]([NH2+]C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCOCC1)c1ccccc1 ZINC000500497082 1003747640 /nfs/dbraw/zinc/74/76/40/1003747640.db2.gz XFJQFFDCASIIOG-INIZCTEOSA-N 1 0 423.469 3.971 20 5 HHBDRO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000511841414 1003818971 /nfs/dbraw/zinc/81/89/71/1003818971.db2.gz HZMQVWNJFKYYOR-QGZVFWFLSA-N 1 0 407.392 3.926 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3nnnn3-c3ccccc3)o2)c(Cl)c1 ZINC000509431500 1003857088 /nfs/dbraw/zinc/85/70/88/1003857088.db2.gz VPJWWWPORITHRV-UHFFFAOYSA-N 1 0 424.848 3.816 20 5 HHBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000509558486 1003944752 /nfs/dbraw/zinc/94/47/52/1003944752.db2.gz QXEVBFIJUCZERT-YJBOKZPZSA-N 1 0 400.479 3.991 20 5 HHBDRO COc1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509567877 1003950102 /nfs/dbraw/zinc/95/01/02/1003950102.db2.gz GXDFXUOOMSVNBR-PMACEKPBSA-N 1 0 411.502 3.899 20 5 HHBDRO O=[N+]([O-])c1ccc2oc(-c3nc([C@H]4CN(Cc5ccccc5)CCO4)no3)cc2c1 ZINC000500808192 1003969481 /nfs/dbraw/zinc/96/94/81/1003969481.db2.gz SHMDINHWNNKRLW-LJQANCHMSA-N 1 0 406.398 3.965 20 5 HHBDRO Cc1c(Br)cc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000509702555 1004038542 /nfs/dbraw/zinc/03/85/42/1004038542.db2.gz ZDSPVVKEGXADSE-CYBMUJFWSA-N 1 0 412.328 3.908 20 5 HHBDRO CC1CC[NH+](C[C@H]2CCCN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000512184335 1004086113 /nfs/dbraw/zinc/08/61/13/1004086113.db2.gz XUKJVOMWMJIYHH-LJQANCHMSA-N 1 0 411.550 3.939 20 5 HHBDRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000512193358 1004094809 /nfs/dbraw/zinc/09/48/09/1004094809.db2.gz DQLHPXPHQKBONH-AWEZNQCLSA-N 1 0 415.471 3.695 20 5 HHBDRO O=C(C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000512201877 1004103037 /nfs/dbraw/zinc/10/30/37/1004103037.db2.gz IUGLLJNKYKSELF-KRWDZBQOSA-N 1 0 424.284 3.504 20 5 HHBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512278562 1004178965 /nfs/dbraw/zinc/17/89/65/1004178965.db2.gz PWAGRHAGYHIFEZ-FDDCHVKYSA-N 1 0 408.502 3.520 20 5 HHBDRO C[NH+](C)C[C@@H]1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000512303771 1004204725 /nfs/dbraw/zinc/20/47/25/1004204725.db2.gz WKBXCVIYQXCOBE-MGPUTAFESA-N 1 0 416.909 3.812 20 5 HHBDRO COc1cc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000512485875 1004337143 /nfs/dbraw/zinc/33/71/43/1004337143.db2.gz JGNSPPAZUMQLFB-HIFRSBDPSA-N 1 0 402.438 3.763 20 5 HHBDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000512527400 1004362532 /nfs/dbraw/zinc/36/25/32/1004362532.db2.gz RNJACSOCJOVNLZ-OAHLLOKOSA-N 1 0 401.463 3.602 20 5 HHBDRO CCOc1cc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])cc1OCC ZINC000501523349 1004489021 /nfs/dbraw/zinc/48/90/21/1004489021.db2.gz SKPXJFYODRUFLP-INIZCTEOSA-N 1 0 422.507 3.878 20 5 HHBDRO CCOc1cc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000501534224 1004497490 /nfs/dbraw/zinc/49/74/90/1004497490.db2.gz KWGPPVYHDBETDQ-GJZGRUSLSA-N 1 0 408.499 3.777 20 5 HHBDRO C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512697352 1004501356 /nfs/dbraw/zinc/50/13/56/1004501356.db2.gz AQQQLCOFPQWIPB-SJORKVTESA-N 1 0 400.523 3.922 20 5 HHBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000510524522 1004653321 /nfs/dbraw/zinc/65/33/21/1004653321.db2.gz LLTXFNOATRRBQK-JPYJTQIMSA-N 1 0 424.545 3.927 20 5 HHBDRO COc1ccc(C[NH2+]C[C@H]2CCOC[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512891703 1004658805 /nfs/dbraw/zinc/65/88/05/1004658805.db2.gz QVNLZIPJPABAOO-QFBILLFUSA-N 1 0 400.475 3.945 20 5 HHBDRO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000501749828 1004678063 /nfs/dbraw/zinc/67/80/63/1004678063.db2.gz XGVDXLFRPKJJPV-SFHVURJKSA-N 1 0 405.458 3.950 20 5 HHBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[NH+](C)C ZINC000510545229 1004678582 /nfs/dbraw/zinc/67/85/82/1004678582.db2.gz GNKJBYCKYSVRDL-SCLBCKFNSA-N 1 0 407.417 3.926 20 5 HHBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000510556592 1004695523 /nfs/dbraw/zinc/69/55/23/1004695523.db2.gz YNVFUJVZUGYLCM-QMHKHESXSA-N 1 0 422.485 3.638 20 5 HHBDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(OCC)c3)CC2)c1C ZINC000510618228 1004757969 /nfs/dbraw/zinc/75/79/69/1004757969.db2.gz KTSIWSNPZOFHJS-UHFFFAOYSA-N 1 0 416.478 3.512 20 5 HHBDRO O=C(C[N@@H+](CCCO)[C@@H]1CCc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000510646270 1004776378 /nfs/dbraw/zinc/77/63/78/1004776378.db2.gz JQFADILGRVHVLW-GOSISDBHSA-N 1 0 403.866 3.559 20 5 HHBDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)s1 ZINC000513067380 1004789327 /nfs/dbraw/zinc/78/93/27/1004789327.db2.gz DXOVAOKPPINEQG-CUSVYIHLSA-N 1 0 403.508 3.665 20 5 HHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)ccc1Oc1ccc(F)cc1 ZINC000510692840 1004801323 /nfs/dbraw/zinc/80/13/23/1004801323.db2.gz JFUIPTFTSLZGQR-LJQANCHMSA-N 1 0 415.465 3.823 20 5 HHBDRO C[C@@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000513192096 1004853511 /nfs/dbraw/zinc/85/35/11/1004853511.db2.gz DFMSKDNHKJZCJL-QGZVFWFLSA-N 1 0 423.517 3.566 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[NH+](C)C)c1 ZINC000510831315 1004879766 /nfs/dbraw/zinc/87/97/66/1004879766.db2.gz DNLFRYZEAIYLOJ-MRXNPFEDSA-N 1 0 424.404 3.629 20 5 HHBDRO COc1cccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[NH+](C)C)c1 ZINC000510831314 1004879962 /nfs/dbraw/zinc/87/99/62/1004879962.db2.gz DNLFRYZEAIYLOJ-INIZCTEOSA-N 1 0 424.404 3.629 20 5 HHBDRO C[NH+](C)[C@H](CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-])c1ccco1 ZINC000502084854 1004895362 /nfs/dbraw/zinc/89/53/62/1004895362.db2.gz OWUGHNYDJNDANH-CQSZACIVSA-N 1 0 405.252 3.635 20 5 HHBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000511055103 1004999280 /nfs/dbraw/zinc/99/92/80/1004999280.db2.gz VHPUAYOIMHQQFC-HRAATJIYSA-N 1 0 409.486 3.587 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)[NH+]2CCCCC2)cc1 ZINC000511061171 1005002526 /nfs/dbraw/zinc/00/25/26/1005002526.db2.gz BTWYIWOMYFAHDB-HXUWFJFHSA-N 1 0 413.474 3.569 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cc([N+](=O)[O-])ccc3OC)c(C)c2)CC1 ZINC000502334582 1005017957 /nfs/dbraw/zinc/01/79/57/1005017957.db2.gz FHFYECRHZGPPLV-UHFFFAOYSA-N 1 0 413.478 3.698 20 5 HHBDRO O=[N+]([O-])c1cnc2ccc(NCCCC[NH+]3CCC(Cc4ccccc4)CC3)nn21 ZINC000502335275 1005018254 /nfs/dbraw/zinc/01/82/54/1005018254.db2.gz IWVUYYDTOJRKNQ-UHFFFAOYSA-N 1 0 408.506 3.784 20 5 HHBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513731498 1005100914 /nfs/dbraw/zinc/10/09/14/1005100914.db2.gz WWLOFOJMKJKTMN-UHFFFAOYSA-N 1 0 405.401 3.591 20 5 HHBDRO C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511295932 1005112603 /nfs/dbraw/zinc/11/26/03/1005112603.db2.gz WXNKFEAMEKEMDG-HUUCEWRRSA-N 1 0 409.914 3.786 20 5 HHBDRO CC(C)C[NH+]1CCC(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000502616144 1005142085 /nfs/dbraw/zinc/14/20/85/1005142085.db2.gz ZACQVWVFHXEAAH-UHFFFAOYSA-N 1 0 416.444 3.652 20 5 HHBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000513817487 1005142426 /nfs/dbraw/zinc/14/24/26/1005142426.db2.gz ITSMRBGGOFKODX-UHFFFAOYSA-N 1 0 413.543 3.871 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000513828234 1005148513 /nfs/dbraw/zinc/14/85/13/1005148513.db2.gz FYLXIQIKJLEJSZ-TWDDROGUSA-N 1 0 423.557 3.779 20 5 HHBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000502876452 1005254230 /nfs/dbraw/zinc/25/42/30/1005254230.db2.gz QCHLCTRRIJOCDW-KRWDZBQOSA-N 1 0 400.504 3.809 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)o2)cc1 ZINC000511679604 1005273581 /nfs/dbraw/zinc/27/35/81/1005273581.db2.gz FIXHOHNIWMRCIP-AQNXPRMDSA-N 1 0 406.442 3.649 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000511775522 1005320442 /nfs/dbraw/zinc/32/04/42/1005320442.db2.gz HMOZODGTWNLKAB-SJBKTWHCSA-N 1 0 409.486 3.736 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)n2)cc1 ZINC000511780642 1005323804 /nfs/dbraw/zinc/32/38/04/1005323804.db2.gz ITOSCMLXBIDQRD-VAMGGRTRSA-N 1 0 406.442 3.649 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(CNCc3ccccc3C[N@H+]3CC[C@@H](O)C3)cs2)c1 ZINC000514250007 1005333434 /nfs/dbraw/zinc/33/34/34/1005333434.db2.gz NMYYBARDBOOTSE-OAQYLSRUSA-N 1 0 424.526 3.575 20 5 HHBDRO C[N@@H+]1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000514320023 1005336643 /nfs/dbraw/zinc/33/66/43/1005336643.db2.gz PWWHFUFHDJSHJP-IBGZPJMESA-N 1 0 402.882 3.566 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCC(N3CCc4ccccc43)CC2)cccc1[N+](=O)[O-] ZINC000503414129 1005412839 /nfs/dbraw/zinc/41/28/39/1005412839.db2.gz CRNURBPZRHPDCY-UHFFFAOYSA-N 1 0 408.502 3.759 20 5 HHBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000503621905 1005467193 /nfs/dbraw/zinc/46/71/93/1005467193.db2.gz YOAMQNOOTUBUAU-UHFFFAOYSA-N 1 0 400.504 3.503 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000503906746 1005509031 /nfs/dbraw/zinc/50/90/31/1005509031.db2.gz AITJUEDETHLBJQ-UWJYYQICSA-N 1 0 420.469 3.505 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000503906743 1005509073 /nfs/dbraw/zinc/50/90/73/1005509073.db2.gz AITJUEDETHLBJQ-DYESRHJHSA-N 1 0 420.469 3.505 20 5 HHBDRO C[NH+](C)[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000531095607 1005990320 /nfs/dbraw/zinc/99/03/20/1005990320.db2.gz GLQPEEDURCRWAN-IBGZPJMESA-N 1 0 402.882 3.855 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@]3(O)CCSC3)o2)c(Br)c1 ZINC000531107933 1005997787 /nfs/dbraw/zinc/99/77/87/1005997787.db2.gz QNAAMZNEBJVKHO-MRXNPFEDSA-N 1 0 413.293 3.575 20 5 HHBDRO CN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514640971 1006068416 /nfs/dbraw/zinc/06/84/16/1006068416.db2.gz ZNWBKTXNPKNLCP-FQEVSTJZSA-N 1 0 421.501 3.535 20 5 HHBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534359084 1006322187 /nfs/dbraw/zinc/32/21/87/1006322187.db2.gz FSVIIBYYSVSFDD-PMACEKPBSA-N 1 0 422.957 3.657 20 5 HHBDRO CC[NH+](CC)CCN(C(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000531880927 1006496848 /nfs/dbraw/zinc/49/68/48/1006496848.db2.gz KVRDHOVSCSYFPW-UHFFFAOYSA-N 1 0 421.295 3.741 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000515526387 1006516014 /nfs/dbraw/zinc/51/60/14/1006516014.db2.gz HGYAGPOZXQVNGD-QGZVFWFLSA-N 1 0 417.531 3.756 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](Cc2ccc(Cl)cc2)C2CCCCC2)c1 ZINC000538391392 1006661643 /nfs/dbraw/zinc/66/16/43/1006661643.db2.gz ADJFOAJQVIMZQK-UXHICEINSA-N 1 0 406.914 3.587 20 5 HHBDRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000532225392 1006733371 /nfs/dbraw/zinc/73/33/71/1006733371.db2.gz ZXJZKUNKWGUCCA-OAHLLOKOSA-N 1 0 416.547 3.527 20 5 HHBDRO COc1ccc(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000532238037 1006741807 /nfs/dbraw/zinc/74/18/07/1006741807.db2.gz DWKMFOHCMYFRQB-NHCUHLMSSA-N 1 0 423.513 3.659 20 5 HHBDRO COc1ccc(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000532238036 1006742212 /nfs/dbraw/zinc/74/22/12/1006742212.db2.gz DWKMFOHCMYFRQB-LEWJYISDSA-N 1 0 423.513 3.659 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCc4c[nH]nc4C3)o2)c(Br)c1 ZINC000532328689 1006796394 /nfs/dbraw/zinc/79/63/94/1006796394.db2.gz HZIYXUANUYZLNW-GFCCVEGCSA-N 1 0 417.263 3.988 20 5 HHBDRO O=C1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1c1c(F)cccc1F ZINC000538548610 1006812665 /nfs/dbraw/zinc/81/26/65/1006812665.db2.gz QCYDPTLWZKDXSH-MAUKXSAKSA-N 1 0 401.413 3.589 20 5 HHBDRO O=C1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1c1c(F)cccc1F ZINC000538548608 1006813143 /nfs/dbraw/zinc/81/31/43/1006813143.db2.gz QCYDPTLWZKDXSH-CRAIPNDOSA-N 1 0 401.413 3.589 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[NH+](C)C)cc1OC ZINC000516272099 1006986502 /nfs/dbraw/zinc/98/65/02/1006986502.db2.gz XYHGBLWHYWREPK-MRXNPFEDSA-N 1 0 422.869 3.690 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000538726436 1007005358 /nfs/dbraw/zinc/00/53/58/1007005358.db2.gz RSWDFLGWMXNWOZ-APWZRJJASA-N 1 0 400.475 3.918 20 5 HHBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534961900 1007010082 /nfs/dbraw/zinc/01/00/82/1007010082.db2.gz ZNSVJLUICXTIBR-UHFFFAOYSA-N 1 0 408.502 3.793 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3OCc3ccncc3)C2)nc1 ZINC000538736381 1007019204 /nfs/dbraw/zinc/01/92/04/1007019204.db2.gz YJDKUMAMMCPNKG-LJQANCHMSA-N 1 0 405.458 3.650 20 5 HHBDRO CCOc1ccc(C(=O)N2CCC(CC[N@H+](CC)CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000538935326 1007218757 /nfs/dbraw/zinc/21/87/57/1007218757.db2.gz ZDGJVAGBKUDSAT-UHFFFAOYSA-N 1 0 403.523 3.968 20 5 HHBDRO O=[N+]([O-])c1ccc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)cc1OC(F)F ZINC000538937124 1007220824 /nfs/dbraw/zinc/22/08/24/1007220824.db2.gz LIHWXWAODRTNBK-SNVBAGLBSA-N 1 0 411.434 3.741 20 5 HHBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000516782978 1007287338 /nfs/dbraw/zinc/28/73/38/1007287338.db2.gz IZFWXAQTTBCBKX-UHFFFAOYSA-N 1 0 415.943 3.525 20 5 HHBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc(OC)cc1OC ZINC000532934877 1007307385 /nfs/dbraw/zinc/30/73/85/1007307385.db2.gz AQBUDWJJGSBJGP-UHFFFAOYSA-N 1 0 401.463 3.771 20 5 HHBDRO CNc1ccc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000532943055 1007313710 /nfs/dbraw/zinc/31/37/10/1007313710.db2.gz DKZZRZFDSBKTCA-GOSISDBHSA-N 1 0 420.473 3.532 20 5 HHBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000539020444 1007317524 /nfs/dbraw/zinc/31/75/24/1007317524.db2.gz KFXBJQWENFZRKF-HNNXBMFYSA-N 1 0 415.471 3.517 20 5 HHBDRO CCOc1ccc(NC(=O)CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000532950151 1007320624 /nfs/dbraw/zinc/32/06/24/1007320624.db2.gz PJSMTFFKMZHGHL-SFHVURJKSA-N 1 0 418.538 3.520 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)[NH+]2CCCC2)cc1 ZINC000535291150 1007342115 /nfs/dbraw/zinc/34/21/15/1007342115.db2.gz ZOJTWZPJXYHZET-JOCHJYFZSA-N 1 0 408.502 3.808 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000539044697 1007342017 /nfs/dbraw/zinc/34/20/17/1007342017.db2.gz UJYHUCBELHKLAG-QGZVFWFLSA-N 1 0 417.531 3.680 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000532976469 1007346242 /nfs/dbraw/zinc/34/62/42/1007346242.db2.gz CECZZNPORATXCY-HOCLYGCPSA-N 1 0 401.438 3.634 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[C@H]1c1ccccc1 ZINC000535394600 1007460557 /nfs/dbraw/zinc/46/05/57/1007460557.db2.gz JOYPZNIFWANMLY-FCHUYYIVSA-N 1 0 424.501 3.593 20 5 HHBDRO C[C@H]1C[C@@H](CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000535409840 1007479029 /nfs/dbraw/zinc/47/90/29/1007479029.db2.gz SFGXJNNVOZXYEB-GHTZIAJQSA-N 1 0 410.518 3.737 20 5 HHBDRO COc1cc(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000535416165 1007485120 /nfs/dbraw/zinc/48/51/20/1007485120.db2.gz DCYMZEIZQPBDMM-UHFFFAOYSA-N 1 0 409.389 3.827 20 5 HHBDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCC(=O)Nc4ccc([N+](=O)[O-])cc4)C3)nc2c1 ZINC000539219879 1007511766 /nfs/dbraw/zinc/51/17/66/1007511766.db2.gz UTTXNGGPHDKKMM-MRXNPFEDSA-N 1 0 407.474 3.988 20 5 HHBDRO CC(C)(C)c1ccc(Oc2ccc(C[NH2+]C[C@]3(O)CCOC3)cc2[N+](=O)[O-])cc1 ZINC000533178536 1007520646 /nfs/dbraw/zinc/52/06/46/1007520646.db2.gz QYFAXAGTMXNKHK-JOCHJYFZSA-N 1 0 400.475 3.926 20 5 HHBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1OC(F)F ZINC000539251868 1007545023 /nfs/dbraw/zinc/54/50/23/1007545023.db2.gz CQGXPOACJZWJIS-CQSZACIVSA-N 1 0 409.389 3.884 20 5 HHBDRO CCCOc1ccc([C@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000539254739 1007548978 /nfs/dbraw/zinc/54/89/78/1007548978.db2.gz RMUZVDZRMYLUFB-HNNXBMFYSA-N 1 0 413.474 3.632 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(OCC(F)(F)F)cc1 ZINC000539262300 1007557918 /nfs/dbraw/zinc/55/79/18/1007557918.db2.gz FAGAKFKQCZAKTG-CYBMUJFWSA-N 1 0 423.391 3.776 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000539279465 1007575100 /nfs/dbraw/zinc/57/51/00/1007575100.db2.gz DMXPCOQYHCZGME-CYBMUJFWSA-N 1 0 406.280 3.667 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000533260118 1007576203 /nfs/dbraw/zinc/57/62/03/1007576203.db2.gz YLHXXQMLLYXCTK-OALUTQOASA-N 1 0 402.539 3.674 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000533260117 1007576418 /nfs/dbraw/zinc/57/64/18/1007576418.db2.gz YLHXXQMLLYXCTK-MOPGFXCFSA-N 1 0 402.539 3.674 20 5 HHBDRO C[N@@H+]1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H]1c1ccc(Cl)cc1 ZINC000535542630 1007583307 /nfs/dbraw/zinc/58/33/07/1007583307.db2.gz OQUJYWDZVDSKFL-FOIQADDNSA-N 1 0 400.866 3.990 20 5 HHBDRO COc1cc(C)c([C@@H](C)[NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1OC ZINC000539289639 1007587074 /nfs/dbraw/zinc/58/70/74/1007587074.db2.gz OZVVQNKFLMEREP-CQSZACIVSA-N 1 0 415.446 3.569 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)[C@@H](C)C1 ZINC000539293282 1007590623 /nfs/dbraw/zinc/59/06/23/1007590623.db2.gz JDSOAGNERKECCK-QFBILLFUSA-N 1 0 423.579 3.962 20 5 HHBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000539295793 1007593354 /nfs/dbraw/zinc/59/33/54/1007593354.db2.gz SHSYBAZZLGLBGI-INIZCTEOSA-N 1 0 406.442 3.972 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000539331242 1007631392 /nfs/dbraw/zinc/63/13/92/1007631392.db2.gz LUBGCDRJMSIGCP-LPHOPBHVSA-N 1 0 411.458 3.650 20 5 HHBDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000533364648 1007670923 /nfs/dbraw/zinc/67/09/23/1007670923.db2.gz WCXSEUVAWOMLCG-GOSISDBHSA-N 1 0 412.490 3.816 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000533371679 1007681512 /nfs/dbraw/zinc/68/15/12/1007681512.db2.gz BERXWKAEBWQLMC-INIZCTEOSA-N 1 0 416.453 3.646 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000539379512 1007684360 /nfs/dbraw/zinc/68/43/60/1007684360.db2.gz DZJVHEFLUHKQRG-JKSUJKDBSA-N 1 0 412.490 3.881 20 5 HHBDRO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000539381389 1007685755 /nfs/dbraw/zinc/68/57/55/1007685755.db2.gz VUDDQTYIGKLQLS-HOTGVXAUSA-N 1 0 415.490 3.839 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000533401227 1007712075 /nfs/dbraw/zinc/71/20/75/1007712075.db2.gz XVERNEHDSQFIRZ-IBGZPJMESA-N 1 0 411.458 3.840 20 5 HHBDRO CCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000533407069 1007716071 /nfs/dbraw/zinc/71/60/71/1007716071.db2.gz FSVIQAOFHFMUOH-ICSRJNTNSA-N 1 0 410.518 3.999 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cccc1[N+](=O)[O-] ZINC000533407756 1007716837 /nfs/dbraw/zinc/71/68/37/1007716837.db2.gz CKPBQKXLQFREOQ-RBUKOAKNSA-N 1 0 402.539 3.818 20 5 HHBDRO C[C@H]([NH2+]C1(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)CCOCC1)c1ccccc1 ZINC000535696592 1007732107 /nfs/dbraw/zinc/73/21/07/1007732107.db2.gz QYKZWSGHNUJQAI-INIZCTEOSA-N 1 0 422.485 3.706 20 5 HHBDRO Cc1c(NC(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)cccc1[N+](=O)[O-] ZINC000517523014 1007741784 /nfs/dbraw/zinc/74/17/84/1007741784.db2.gz VVNCUMXUFXOYPW-UHFFFAOYSA-N 1 0 404.511 3.838 20 5 HHBDRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000539447395 1007759032 /nfs/dbraw/zinc/75/90/32/1007759032.db2.gz VCISSOPZERPZED-VURMDHGXSA-N 1 0 402.516 3.969 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000539448858 1007760898 /nfs/dbraw/zinc/76/08/98/1007760898.db2.gz IWTLXYZFSQSEAW-OAHLLOKOSA-N 1 0 403.504 3.697 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000535801462 1007808539 /nfs/dbraw/zinc/80/85/39/1007808539.db2.gz OCARHGUGCPAZKL-TZMCWYRMSA-N 1 0 404.385 3.545 20 5 HHBDRO CN1CCN([C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2cccs2)CC1 ZINC000517675013 1007890464 /nfs/dbraw/zinc/89/04/64/1007890464.db2.gz MQASRCJNOJYKBX-WOJBJXKFSA-N 1 0 400.548 3.612 20 5 HHBDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)C2)c1 ZINC000539665139 1007983602 /nfs/dbraw/zinc/98/36/02/1007983602.db2.gz ZWKJYEYPKCUYGR-GCJKJVERSA-N 1 0 411.502 3.802 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000517871839 1008023072 /nfs/dbraw/zinc/02/30/72/1008023072.db2.gz TZXJAEQHISJTFB-OAQYLSRUSA-N 1 0 411.502 3.806 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536007661 1008050278 /nfs/dbraw/zinc/05/02/78/1008050278.db2.gz LSHLFDKRONKPON-INIZCTEOSA-N 1 0 414.531 3.636 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000536037416 1008070349 /nfs/dbraw/zinc/07/03/49/1008070349.db2.gz ZOUYTXXTYSAPBF-QGZVFWFLSA-N 1 0 401.438 3.566 20 5 HHBDRO COc1ccc(OCC[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000518010094 1008100599 /nfs/dbraw/zinc/10/05/99/1008100599.db2.gz AYAGDYQVBNTUCC-XLIONFOSSA-N 1 0 405.882 3.671 20 5 HHBDRO COc1cc(CN2CCC[N@@H+](C(C)(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000539814885 1008110904 /nfs/dbraw/zinc/11/09/04/1008110904.db2.gz KSHQDYSQABKGCN-UHFFFAOYSA-N 1 0 401.454 3.554 20 5 HHBDRO CCc1nsc(N2CCC[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)n1 ZINC000539825097 1008119099 /nfs/dbraw/zinc/11/90/99/1008119099.db2.gz LFTRCBBKXLPAAB-UHFFFAOYSA-N 1 0 413.503 3.981 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533807245 1008125664 /nfs/dbraw/zinc/12/56/64/1008125664.db2.gz YZEWFEXJLYBKPE-DYESRHJHSA-N 1 0 408.502 3.573 20 5 HHBDRO COc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539838043 1008130029 /nfs/dbraw/zinc/13/00/29/1008130029.db2.gz NXBXHCFTMSESSW-CTNGQTDRSA-N 1 0 411.502 3.851 20 5 HHBDRO COc1cc(C[N@@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000518061649 1008137846 /nfs/dbraw/zinc/13/78/46/1008137846.db2.gz IQIXUULXBWNFAN-CQSZACIVSA-N 1 0 410.421 3.564 20 5 HHBDRO CCOc1cc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OCC ZINC000518094093 1008155390 /nfs/dbraw/zinc/15/53/90/1008155390.db2.gz BBNLRASPOYXPHF-INIZCTEOSA-N 1 0 420.510 3.874 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H](O)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000518278928 1008236584 /nfs/dbraw/zinc/23/65/84/1008236584.db2.gz LOBORISESIURMS-OAHLLOKOSA-N 1 0 406.401 3.575 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1Cc1ccccc1 ZINC000533994525 1008254815 /nfs/dbraw/zinc/25/48/15/1008254815.db2.gz ONOYXFSASSWCKC-LPHOPBHVSA-N 1 0 406.486 3.788 20 5 HHBDRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000540169062 1008320409 /nfs/dbraw/zinc/32/04/09/1008320409.db2.gz OLYMTPGMGHTKCR-HNNXBMFYSA-N 1 0 405.882 3.654 20 5 HHBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000540193109 1008329957 /nfs/dbraw/zinc/32/99/57/1008329957.db2.gz WWLBYIBZAAXBQP-MRXNPFEDSA-N 1 0 403.504 3.620 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2[N+](=O)[O-])CC1 ZINC000518616379 1008366651 /nfs/dbraw/zinc/36/66/51/1008366651.db2.gz RWXLUBQWIVVBFZ-LJQANCHMSA-N 1 0 400.523 3.532 20 5 HHBDRO COc1cc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(OC)c1OC ZINC000540326111 1008380888 /nfs/dbraw/zinc/38/08/88/1008380888.db2.gz XELJVORIEHXIJW-AWEZNQCLSA-N 1 0 417.462 3.608 20 5 HHBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000540328298 1008382168 /nfs/dbraw/zinc/38/21/68/1008382168.db2.gz UNVYMQYEUZJUSQ-KGLIPLIRSA-N 1 0 417.462 3.607 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000540408375 1008420279 /nfs/dbraw/zinc/42/02/79/1008420279.db2.gz HXKCGIAWVVJLGR-HNNXBMFYSA-N 1 0 404.461 3.866 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000540408238 1008420451 /nfs/dbraw/zinc/42/04/51/1008420451.db2.gz PYSRQZCRPKTGLK-INIZCTEOSA-N 1 0 410.474 3.709 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])c1 ZINC000540433487 1008431794 /nfs/dbraw/zinc/43/17/94/1008431794.db2.gz RZKHJTVFZBKDMV-OAHLLOKOSA-N 1 0 406.442 3.955 20 5 HHBDRO CCCc1n[nH]c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000518827955 1008436425 /nfs/dbraw/zinc/43/64/25/1008436425.db2.gz ZVYVEDPFXXSWCN-HNNXBMFYSA-N 1 0 405.524 3.535 20 5 HHBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCOc3ccccc3C(F)(F)F)CC2)cn1 ZINC000518899326 1008465162 /nfs/dbraw/zinc/46/51/62/1008465162.db2.gz GYMJATJQIGAJDF-UHFFFAOYSA-N 1 0 424.423 3.990 20 5 HHBDRO C[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000542968785 1008542668 /nfs/dbraw/zinc/54/26/68/1008542668.db2.gz CHPNVKKJQSUHOJ-RPTJNQDTSA-N 1 0 409.895 3.663 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000519112042 1008542883 /nfs/dbraw/zinc/54/28/83/1008542883.db2.gz SWYOLWDDFRECJW-UHFFFAOYSA-N 1 0 413.474 4.000 20 5 HHBDRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548961190 1008544400 /nfs/dbraw/zinc/54/44/00/1008544400.db2.gz UPBHPVAKCWZPTH-UHFFFAOYSA-N 1 0 414.293 3.609 20 5 HHBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000545445363 1008558001 /nfs/dbraw/zinc/55/80/01/1008558001.db2.gz GQXXZACEWSQBTE-SFHVURJKSA-N 1 0 404.470 3.880 20 5 HHBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(NC(=O)C[NH2+][C@@H](C)c2cccnc2)c1)c1cccnc1 ZINC000543053656 1008633121 /nfs/dbraw/zinc/63/31/21/1008633121.db2.gz YOVUUUHZHUTBGN-HOTGVXAUSA-N 1 0 420.473 3.847 20 5 HHBDRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000549169803 1008743114 /nfs/dbraw/zinc/74/31/14/1008743114.db2.gz AVFFXJIEZIHYTI-UHFFFAOYSA-N 1 0 406.442 3.644 20 5 HHBDRO CC(C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000543183895 1008758281 /nfs/dbraw/zinc/75/82/81/1008758281.db2.gz IDNCAASOCQXQDF-ZDUSSCGKSA-N 1 0 409.280 3.622 20 5 HHBDRO C[NH+](C)CCOc1cccc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c1 ZINC000545672826 1008764526 /nfs/dbraw/zinc/76/45/26/1008764526.db2.gz DMUUKZKVFJBKTE-UHFFFAOYSA-N 1 0 423.473 3.852 20 5 HHBDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000546072891 1009094656 /nfs/dbraw/zinc/09/46/56/1009094656.db2.gz FPBLYKWDDYFTHS-QGZVFWFLSA-N 1 0 417.531 3.678 20 5 HHBDRO CC[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000546103706 1009127298 /nfs/dbraw/zinc/12/72/98/1009127298.db2.gz HZAYKAZCXJLERS-LJQANCHMSA-N 1 0 407.474 3.741 20 5 HHBDRO CC(C)[NH+]1CCC(N2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)CC1 ZINC000549528029 1009138305 /nfs/dbraw/zinc/13/83/05/1009138305.db2.gz PLKHUSKUMKSVLP-UHFFFAOYSA-N 1 0 414.472 3.604 20 5 HHBDRO COc1cc(C[NH2+][C@@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000543553725 1009157625 /nfs/dbraw/zinc/15/76/25/1009157625.db2.gz VEXVPBFZENYMID-SWLSCSKDSA-N 1 0 408.401 3.902 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)[NH+](C)C)cc1 ZINC000520061415 1009223005 /nfs/dbraw/zinc/22/30/05/1009223005.db2.gz APKDLDRPIIKFRC-DEOSSOPVSA-N 1 0 413.521 3.882 20 5 HHBDRO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1C[N@H+](Cc3ccccc3)CC13CCOCC3)CCN2 ZINC000549618655 1009246648 /nfs/dbraw/zinc/24/66/48/1009246648.db2.gz SUXUZSRHDGTSKU-LJQANCHMSA-N 1 0 422.529 3.904 20 5 HHBDRO CC1CC[NH+](C2CCC(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC2)CC1 ZINC000543814325 1009377500 /nfs/dbraw/zinc/37/75/00/1009377500.db2.gz FGZYDXXITZZQCZ-UHFFFAOYSA-N 1 0 411.449 3.969 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)c1 ZINC000520524003 1009613657 /nfs/dbraw/zinc/61/36/57/1009613657.db2.gz XMFPVKWBIAHOSZ-GDBMZVCRSA-N 1 0 408.857 3.834 20 5 HHBDRO C[NH+](C)C1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000544048594 1009651134 /nfs/dbraw/zinc/65/11/34/1009651134.db2.gz GSMPRNUKHMLGJG-UHFFFAOYSA-N 1 0 419.934 3.556 20 5 HHBDRO COc1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1OCc1cccnc1 ZINC000520958797 1010006479 /nfs/dbraw/zinc/00/64/79/1010006479.db2.gz KOSKBOYCZBJSRP-UHFFFAOYSA-N 1 0 409.442 3.876 20 5 HHBDRO O=C(c1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1)N1CCOCC1 ZINC000520963639 1010008928 /nfs/dbraw/zinc/00/89/28/1010008928.db2.gz VPXVQEFVSRSNIW-UHFFFAOYSA-N 1 0 421.453 3.617 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000520966457 1010009792 /nfs/dbraw/zinc/00/97/92/1010009792.db2.gz MXBGOYGDXMKELZ-IBGZPJMESA-N 1 0 401.438 3.700 20 5 HHBDRO COC(=O)c1cc(N[C@H](C[NH+]2CCCC2)c2ccc(OC)cc2)cc(C)c1[N+](=O)[O-] ZINC000544396104 1010016589 /nfs/dbraw/zinc/01/65/89/1010016589.db2.gz VZVQXUMKEKZTBT-HXUWFJFHSA-N 1 0 413.474 3.947 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000544402519 1010022404 /nfs/dbraw/zinc/02/24/04/1010022404.db2.gz GVUJBHJYFVVTSJ-HNNXBMFYSA-N 1 0 400.454 3.618 20 5 HHBDRO C[NH+](C)CCOc1cccc(-c2noc(CSc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000544559173 1010188870 /nfs/dbraw/zinc/18/88/70/1010188870.db2.gz UMFSMGHGCSZQLE-UHFFFAOYSA-N 1 0 400.460 3.878 20 5 HHBDRO C[C@H](CCc1ccc(Cl)s1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544574340 1010203201 /nfs/dbraw/zinc/20/32/01/1010203201.db2.gz ROOWRCWSWOZVKQ-GFCCVEGCSA-N 1 0 402.925 3.694 20 5 HHBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000544622056 1010246384 /nfs/dbraw/zinc/24/63/84/1010246384.db2.gz PRWJGMZXVVCRHP-WOJBJXKFSA-N 1 0 421.517 3.535 20 5 HHBDRO CCC(CC)(CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000544707081 1010317607 /nfs/dbraw/zinc/31/76/07/1010317607.db2.gz XRROHZMBCFADFA-KRWDZBQOSA-N 1 0 419.547 3.924 20 5 HHBDRO CCC(CC)(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000521376928 1010342905 /nfs/dbraw/zinc/34/29/05/1010342905.db2.gz SURGZVLCLUZRQY-INIZCTEOSA-N 1 0 405.520 3.783 20 5 HHBDRO CCC(CC)(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000521376929 1010343262 /nfs/dbraw/zinc/34/32/62/1010343262.db2.gz SURGZVLCLUZRQY-MRXNPFEDSA-N 1 0 405.520 3.783 20 5 HHBDRO CCOC(=O)c1cc(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000521450909 1010380999 /nfs/dbraw/zinc/38/09/99/1010380999.db2.gz OCPOBKBRKLKBDG-HNNXBMFYSA-N 1 0 413.474 3.631 20 5 HHBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000547945703 1010476289 /nfs/dbraw/zinc/47/62/89/1010476289.db2.gz KRMKBKCLZOSACE-GOSISDBHSA-N 1 0 406.433 3.557 20 5 HHBDRO C[C@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000521582775 1010480536 /nfs/dbraw/zinc/48/05/36/1010480536.db2.gz RNNSJYIRWJVICC-HNNXBMFYSA-N 1 0 417.893 3.913 20 5 HHBDRO C[NH+]1CCC(Oc2ccc(CNCc3cc([N+](=O)[O-])ccc3OC(F)F)cc2)CC1 ZINC000551271220 1010486148 /nfs/dbraw/zinc/48/61/48/1010486148.db2.gz LUXFNAKDULITPE-UHFFFAOYSA-N 1 0 421.444 3.959 20 5 HHBDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000548395093 1010612597 /nfs/dbraw/zinc/61/25/97/1010612597.db2.gz GTFQAKYEIYIYIX-TZIWHRDSSA-N 1 0 402.516 3.820 20 5 HHBDRO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000548394843 1010612612 /nfs/dbraw/zinc/61/26/12/1010612612.db2.gz PWCJETWHLBUZPH-ZWKOTPCHSA-N 1 0 407.470 3.724 20 5 HHBDRO C[NH+](C)CCCOc1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000545120375 1010627520 /nfs/dbraw/zinc/62/75/20/1010627520.db2.gz BFHDYUJATOHQPF-UHFFFAOYSA-N 1 0 403.454 3.981 20 5 HHBDRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000551616368 1010699833 /nfs/dbraw/zinc/69/98/33/1010699833.db2.gz YWPSGRUIWUNOJJ-OXQOHEQNSA-N 1 0 406.454 3.774 20 5 HHBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000522784253 1011218518 /nfs/dbraw/zinc/21/85/18/1011218518.db2.gz XAVVVWHAWFQOAL-GOSISDBHSA-N 1 0 414.462 3.619 20 5 HHBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000536256069 1011416492 /nfs/dbraw/zinc/41/64/92/1011416492.db2.gz CTKWGSKTBGVQBZ-UHFFFAOYSA-N 1 0 412.490 3.824 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000536261294 1011425985 /nfs/dbraw/zinc/42/59/85/1011425985.db2.gz BHBRQCSZVWTBPQ-JXFKEZNVSA-N 1 0 403.866 3.579 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000536263236 1011431161 /nfs/dbraw/zinc/43/11/61/1011431161.db2.gz KBVGZNQQLKSTFY-NVXWUHKLSA-N 1 0 404.264 3.533 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)nc1-c1ccccc1 ZINC000536389444 1011597270 /nfs/dbraw/zinc/59/72/70/1011597270.db2.gz ABGDGOCTQOXWHL-NHCUHLMSSA-N 1 0 418.497 3.952 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)c([N+](=O)[O-])c1 ZINC000541023607 1011657786 /nfs/dbraw/zinc/65/77/86/1011657786.db2.gz DARCMBLABUOFQS-GJZGRUSLSA-N 1 0 423.473 3.775 20 5 HHBDRO COc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000541103439 1011750656 /nfs/dbraw/zinc/75/06/56/1011750656.db2.gz YMRLQPBNOOTVSP-UGSOOPFHSA-N 1 0 404.492 3.870 20 5 HHBDRO CCOC(=O)COc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000536678997 1011841070 /nfs/dbraw/zinc/84/10/70/1011841070.db2.gz RGJPLXMLXCUQHC-UHFFFAOYSA-N 1 0 414.458 3.580 20 5 HHBDRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000541194626 1011865172 /nfs/dbraw/zinc/86/51/72/1011865172.db2.gz HKRPTWUWBBEOST-CYBMUJFWSA-N 1 0 411.487 3.965 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000541206210 1011876233 /nfs/dbraw/zinc/87/62/33/1011876233.db2.gz NZSJRMKCWNXADR-AWEZNQCLSA-N 1 0 411.487 3.663 20 5 HHBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000551793594 1011953175 /nfs/dbraw/zinc/95/31/75/1011953175.db2.gz NJWPCZNIDSPFKY-KRWDZBQOSA-N 1 0 411.380 3.655 20 5 HHBDRO C[C@@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000551816165 1011974382 /nfs/dbraw/zinc/97/43/82/1011974382.db2.gz GTSKKMHNBBHEIT-PEBXRYMYSA-N 1 0 408.458 3.671 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000523486111 1012003060 /nfs/dbraw/zinc/00/30/60/1012003060.db2.gz WDZSMGPVAOZNAK-HXUWFJFHSA-N 1 0 411.502 3.834 20 5 HHBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000552009013 1012047662 /nfs/dbraw/zinc/04/76/62/1012047662.db2.gz OIYMADHLGCBHDC-UHFFFAOYSA-N 1 0 401.426 3.587 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000541352220 1012066322 /nfs/dbraw/zinc/06/63/22/1012066322.db2.gz NXVODRYFUHBCSW-HZPDHXFCSA-N 1 0 413.499 3.824 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000536837378 1012067484 /nfs/dbraw/zinc/06/74/84/1012067484.db2.gz FBDWFXVZUBAWMP-PBHICJAKSA-N 1 0 401.438 3.979 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)C(=O)Nc2nnc(CC)s2)cc1[N+](=O)[O-] ZINC000552089413 1012104707 /nfs/dbraw/zinc/10/47/07/1012104707.db2.gz JQYQOKZITNSFFC-AVGNSLFASA-N 1 0 421.523 3.721 20 5 HHBDRO Cn1ccnc1[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552266283 1012276419 /nfs/dbraw/zinc/27/64/19/1012276419.db2.gz FMBPAANMAXADIH-UGKGYDQZSA-N 1 0 405.502 3.529 20 5 HHBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCS1(=O)=O ZINC000552313146 1012323341 /nfs/dbraw/zinc/32/33/41/1012323341.db2.gz PYCGJEJYBJMACN-LRDDRELGSA-N 1 0 410.879 3.706 20 5 HHBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000552321393 1012330886 /nfs/dbraw/zinc/33/08/86/1012330886.db2.gz PMPRFNDWGPODCX-NSHDSACASA-N 1 0 418.302 3.531 20 5 HHBDRO CCc1ccc([C@@H](NC[C@@H]2C[N@H+](CC(C)C)CCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549866 1012335409 /nfs/dbraw/zinc/33/54/09/1012335409.db2.gz KSZQOJAFQPHBEK-IRLDBZIGSA-N 1 0 401.507 3.786 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCCN(c4cccnc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000541553387 1012341013 /nfs/dbraw/zinc/34/10/13/1012341013.db2.gz GHIWMRBIIHNRBP-LJQANCHMSA-N 1 0 422.441 3.544 20 5 HHBDRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000537074358 1012416214 /nfs/dbraw/zinc/41/62/14/1012416214.db2.gz FHEGQJNPHRFPSG-QRWLVFNGSA-N 1 0 413.474 3.626 20 5 HHBDRO C[N@H+](CCc1cccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1)C1CC1 ZINC000537127028 1012511650 /nfs/dbraw/zinc/51/16/50/1012511650.db2.gz UVKCBFNQQDJODD-UHFFFAOYSA-N 1 0 405.458 3.670 20 5 HHBDRO COc1cc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000552488837 1012513383 /nfs/dbraw/zinc/51/33/83/1012513383.db2.gz MIWMTRHCKDRXDV-XLIONFOSSA-N 1 0 400.475 3.775 20 5 HHBDRO O=C(C[NH2+][C@H](c1cccc(F)c1)C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000537130771 1012514573 /nfs/dbraw/zinc/51/45/73/1012514573.db2.gz YVMWQYSMTBBCMV-NRFANRHFSA-N 1 0 415.421 3.922 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000537170429 1012575607 /nfs/dbraw/zinc/57/56/07/1012575607.db2.gz UCXHAMQSCAHQLP-RBUKOAKNSA-N 1 0 421.563 3.593 20 5 HHBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000523890414 1012595198 /nfs/dbraw/zinc/59/51/98/1012595198.db2.gz UJCXNWMAONQCCY-LJQANCHMSA-N 1 0 417.893 3.970 20 5 HHBDRO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCCO2 ZINC000541740391 1012596150 /nfs/dbraw/zinc/59/61/50/1012596150.db2.gz LYUQKFLTRAOHMF-SFHVURJKSA-N 1 0 424.906 3.834 20 5 HHBDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000541743472 1012599604 /nfs/dbraw/zinc/59/96/04/1012599604.db2.gz JAVZMHNFNYPAEN-SFTDATJTSA-N 1 0 418.515 3.657 20 5 HHBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000523979378 1012726975 /nfs/dbraw/zinc/72/69/75/1012726975.db2.gz HHYFMKGNMOARTP-SFHVURJKSA-N 1 0 417.893 3.970 20 5 HHBDRO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000537309731 1012767999 /nfs/dbraw/zinc/76/79/99/1012767999.db2.gz WGQGPZUJRFGAPO-UHFFFAOYSA-N 1 0 407.898 3.833 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000552813056 1012820328 /nfs/dbraw/zinc/82/03/28/1012820328.db2.gz WCBLNVNXOFGLSR-LJQANCHMSA-N 1 0 408.433 3.829 20 5 HHBDRO Nc1c(Cl)cc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000908301058 1072021776 /nfs/dbraw/zinc/02/17/76/1072021776.db2.gz QBIJROSEQLNEAT-INIZCTEOSA-N 1 0 416.909 3.863 20 5 HHBDRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000586795351 1072444669 /nfs/dbraw/zinc/44/46/69/1072444669.db2.gz XMIWVJPYDPWOEZ-GOSISDBHSA-N 1 0 402.882 3.848 20 5 HHBDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000586836266 1072449093 /nfs/dbraw/zinc/44/90/93/1072449093.db2.gz ZWPNUCJQLHJGNF-UHFFFAOYSA-N 1 0 419.279 3.916 20 5 HHBDRO Nc1cc(NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cc(CO)c1[N+](=O)[O-] ZINC000587974564 1072724627 /nfs/dbraw/zinc/72/46/27/1072724627.db2.gz IMLRLKOSXRPINY-GOSISDBHSA-N 1 0 404.898 3.789 20 5 HHBDRO Nc1cc(NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cc(CO)c1[N+](=O)[O-] ZINC000587974565 1072724714 /nfs/dbraw/zinc/72/47/14/1072724714.db2.gz IMLRLKOSXRPINY-SFHVURJKSA-N 1 0 404.898 3.789 20 5 HHBDRO Nc1ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)n2)cc1[N+](=O)[O-] ZINC000567276003 1072875525 /nfs/dbraw/zinc/87/55/25/1072875525.db2.gz PHPRHDHWKAVDJO-OAHLLOKOSA-N 1 0 415.400 3.852 20 5 HHBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[C@H]1n1cccn1 ZINC000567474281 1072916583 /nfs/dbraw/zinc/91/65/83/1072916583.db2.gz SHMJZDMSYCYQFC-DUXKGJEZSA-N 1 0 412.446 3.568 20 5 HHBDRO CCOC(=O)c1n[nH]c(-c2cccc(C[NH2+]CC(C)=Cc3cccc([N+](=O)[O-])c3)c2)n1 ZINC000554879607 1072931643 /nfs/dbraw/zinc/93/16/43/1072931643.db2.gz WYYWGZFVMZXUKR-XNTDXEJSSA-N 1 0 421.457 3.750 20 5 HHBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCC[C@@H]2CCCC[C@@H]2O)c1 ZINC000554971960 1073027731 /nfs/dbraw/zinc/02/77/31/1073027731.db2.gz FIZGSAHBSZUVSU-BBRMVZONSA-N 1 0 418.275 3.620 20 5 HHBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000555084121 1073147211 /nfs/dbraw/zinc/14/72/11/1073147211.db2.gz XLORNEBUJIMMEG-UHFFFAOYSA-N 1 0 406.490 3.504 20 5 HHBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CC[NH+](C2CCCCC2)CC1 ZINC000555187761 1073249415 /nfs/dbraw/zinc/24/94/15/1073249415.db2.gz OMYHISSDYFZNOO-UHFFFAOYSA-N 1 0 413.522 3.715 20 5 HHBDRO CSc1ccc([C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000555261895 1073294695 /nfs/dbraw/zinc/29/46/95/1073294695.db2.gz DFOWNBICHQIFLZ-HXUWFJFHSA-N 1 0 414.531 3.924 20 5 HHBDRO CCOc1cc(C[NH2+][C@@H](C)CF)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000588930949 1073348120 /nfs/dbraw/zinc/34/81/20/1073348120.db2.gz ZYQIBBOQGPVTCN-AWEZNQCLSA-N 1 0 420.437 3.887 20 5 HHBDRO COc1cc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)ccc1OCCO ZINC000555421242 1073444953 /nfs/dbraw/zinc/44/49/53/1073444953.db2.gz WOXWKYFAHAPEMY-LBPRGKRZSA-N 1 0 414.380 3.844 20 5 HHBDRO CNc1ccc(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000590078137 1073515517 /nfs/dbraw/zinc/51/55/17/1073515517.db2.gz DUTFQSFUQCXBMM-UHFFFAOYSA-N 1 0 408.502 3.765 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C3(Cc4ccc(F)cc4)CCOCC3)n2)cc1 ZINC000590186434 1073632013 /nfs/dbraw/zinc/63/20/13/1073632013.db2.gz PWPQGCSHZNJJBY-UHFFFAOYSA-N 1 0 412.421 3.665 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(F)c(Br)c1 ZINC000590195093 1073643649 /nfs/dbraw/zinc/64/36/49/1073643649.db2.gz WNEDGCLQAVFKGI-LLVKDONJSA-N 1 0 422.254 3.736 20 5 HHBDRO C[C@H]1[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000574665916 1075300784 /nfs/dbraw/zinc/30/07/84/1075300784.db2.gz OQEYWPNVINBYJN-LAUBAEHRSA-N 1 0 408.502 3.932 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC(C)(C)[NH+]3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000602222796 1075720466 /nfs/dbraw/zinc/72/04/66/1075720466.db2.gz PIGGZSRNSAQCFV-QGZVFWFLSA-N 1 0 402.539 3.825 20 5 HHBDRO COc1cc2ncnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2cc1[N+](=O)[O-] ZINC001164620453 719080128 /nfs/dbraw/zinc/08/01/28/719080128.db2.gz FBLTZBRZIAKZMZ-DYESRHJHSA-N 1 0 419.485 3.647 20 5 HHBDRO Cc1cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164733360 720451443 /nfs/dbraw/zinc/45/14/43/720451443.db2.gz PIASNGPSRIUBTK-SFTDATJTSA-N 1 0 416.485 3.608 20 5 HHBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836256 720534860 /nfs/dbraw/zinc/53/48/60/720534860.db2.gz JITMVYJFMZBBKG-BBTUJRGHSA-N 1 0 420.517 3.717 20 5 HHBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835901 720537827 /nfs/dbraw/zinc/53/78/27/720537827.db2.gz IYPKDSYLWPHETR-SLFFLAALSA-N 1 0 420.517 3.717 20 5 HHBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]2C ZINC001164856181 720956317 /nfs/dbraw/zinc/95/63/17/720956317.db2.gz CDSQZKFQGBGJPF-NSHDSACASA-N 1 0 413.309 3.915 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC001165020290 721801165 /nfs/dbraw/zinc/80/11/65/721801165.db2.gz FAQZZBUQNRFKDH-ZTFGCOKTSA-N 1 0 401.898 3.775 20 5 HHBDRO CCOc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC001164994901 722204943 /nfs/dbraw/zinc/20/49/43/722204943.db2.gz JMUVVDXNBKULFX-OAQYLSRUSA-N 1 0 400.454 3.773 20 5 HHBDRO C[C@H]1C[NH+](CC2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000301149789 970772578 /nfs/dbraw/zinc/77/25/78/970772578.db2.gz CNWKNTLSKXKPKG-KBPBESRZSA-N 1 0 412.328 3.683 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C1 ZINC000301180803 970790910 /nfs/dbraw/zinc/79/09/10/970790910.db2.gz NCFDQFQUROVAPI-HUUCEWRRSA-N 1 0 419.913 3.574 20 5 HHBDRO CN(c1ccc(Br)cc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000301196508 970802031 /nfs/dbraw/zinc/80/20/31/970802031.db2.gz UORSPZMFCZGPBP-UHFFFAOYSA-N 1 0 419.323 3.896 20 5 HHBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000301402445 970910327 /nfs/dbraw/zinc/91/03/27/970910327.db2.gz CYBCJLWKMGDZDS-YJYMSZOUSA-N 1 0 420.491 3.860 20 5 HHBDRO O=C1COc2cc([N+](=O)[O-])c(NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2N1 ZINC000301599476 970997388 /nfs/dbraw/zinc/99/73/88/970997388.db2.gz HWQKXOQWVLOZML-UHFFFAOYSA-N 1 0 416.865 3.656 20 5 HHBDRO CC1CC[NH+](Cc2ccccc2CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301666888 971020300 /nfs/dbraw/zinc/02/03/00/971020300.db2.gz CMPXXLCPDWCLHV-UHFFFAOYSA-N 1 0 410.474 3.770 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNc3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)cc2)C1 ZINC000301687261 971027868 /nfs/dbraw/zinc/02/78/68/971027868.db2.gz MEIXJRDPIDEMRI-HNNXBMFYSA-N 1 0 410.474 3.770 20 5 HHBDRO COC(=O)c1cc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc(C)c1[N+](=O)[O-] ZINC000301697250 971032113 /nfs/dbraw/zinc/03/21/13/971032113.db2.gz QKTNQQCORNRLKQ-UHFFFAOYSA-N 1 0 401.438 3.905 20 5 HHBDRO C[N@@H+]1CC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301967508 971136362 /nfs/dbraw/zinc/13/63/62/971136362.db2.gz OUKILRIDVKUJRS-XIKOKIGWSA-N 1 0 404.833 3.535 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301967507 971136410 /nfs/dbraw/zinc/13/64/10/971136410.db2.gz OUKILRIDVKUJRS-SGTLLEGYSA-N 1 0 404.833 3.535 20 5 HHBDRO COc1cc(Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c([N+](=O)[O-])cc1OC ZINC000301984035 971142385 /nfs/dbraw/zinc/14/23/85/971142385.db2.gz IQUFMVNFSNKAFA-UHFFFAOYSA-N 1 0 400.479 3.886 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000302047814 971160754 /nfs/dbraw/zinc/16/07/54/971160754.db2.gz NWFMHUNIBKBYIS-DLBZAZTESA-N 1 0 402.495 3.642 20 5 HHBDRO Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302046629 971160839 /nfs/dbraw/zinc/16/08/39/971160839.db2.gz LEELMETWFGRKIG-OAQYLSRUSA-N 1 0 419.485 3.539 20 5 HHBDRO Cc1[nH+]c2ccccc2c(NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1C ZINC000302482556 971243313 /nfs/dbraw/zinc/24/33/13/971243313.db2.gz WWXQWJGYQSMPHW-UHFFFAOYSA-N 1 0 414.487 3.687 20 5 HHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000302915830 971392563 /nfs/dbraw/zinc/39/25/63/971392563.db2.gz XUMGQIPEAOOTNS-KRWDZBQOSA-N 1 0 407.474 3.566 20 5 HHBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553125239 1013085941 /nfs/dbraw/zinc/08/59/41/1013085941.db2.gz BZHLNZSDMPHTKE-QHCPKHFHSA-N 1 0 404.470 3.814 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)c1 ZINC000303182371 971546659 /nfs/dbraw/zinc/54/66/59/971546659.db2.gz KYWWPYLENRCXOF-NRFANRHFSA-N 1 0 412.486 3.714 20 5 HHBDRO C[C@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000303335018 971638593 /nfs/dbraw/zinc/63/85/93/971638593.db2.gz OELCJZACEYZQIE-HNNXBMFYSA-N 1 0 417.893 3.913 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000303546479 971845944 /nfs/dbraw/zinc/84/59/44/971845944.db2.gz GUZACXGXQMWKKM-OALUTQOASA-N 1 0 402.539 3.818 20 5 HHBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000303572736 971864754 /nfs/dbraw/zinc/86/47/54/971864754.db2.gz YWNKCCFOZPYOTG-AWEZNQCLSA-N 1 0 409.552 3.956 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303777645 972021930 /nfs/dbraw/zinc/02/19/30/972021930.db2.gz ICIAGPDFKZSCRJ-IEBWSBKVSA-N 1 0 417.531 3.577 20 5 HHBDRO CC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542203292 1013149141 /nfs/dbraw/zinc/14/91/41/1013149141.db2.gz SHWDUCGVVDKDCF-INIZCTEOSA-N 1 0 409.280 3.619 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000542212633 1013160351 /nfs/dbraw/zinc/16/03/51/1013160351.db2.gz RNLXLXNKZPXUKL-INIZCTEOSA-N 1 0 413.499 3.824 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3OCc3ccccn3)C2)nc1 ZINC000537635911 1013191253 /nfs/dbraw/zinc/19/12/53/1013191253.db2.gz FWAJQPGUTWWWDF-GOSISDBHSA-N 1 0 405.458 3.650 20 5 HHBDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000003552987 960546152 /nfs/dbraw/zinc/54/61/52/960546152.db2.gz BLMWYMFDNMZYPM-UHFFFAOYSA-N 1 0 409.273 3.906 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)n1 ZINC000553250456 1013215773 /nfs/dbraw/zinc/21/57/73/1013215773.db2.gz AGSIYHKFZYITHF-KRWDZBQOSA-N 1 0 404.854 3.679 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000542278502 1013238673 /nfs/dbraw/zinc/23/86/73/1013238673.db2.gz VEVWTOIWOFGXKF-HOTGVXAUSA-N 1 0 417.531 3.549 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000553294705 1013252052 /nfs/dbraw/zinc/25/20/52/1013252052.db2.gz JJAAJTRLHJZULT-HZPDHXFCSA-N 1 0 412.490 3.866 20 5 HHBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553332510 1013280314 /nfs/dbraw/zinc/28/03/14/1013280314.db2.gz FZSIVRSNXSZELB-IBGZPJMESA-N 1 0 417.307 3.855 20 5 HHBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000537775641 1013338717 /nfs/dbraw/zinc/33/87/17/1013338717.db2.gz KRRIUZWGJATPHX-UHFFFAOYSA-N 1 0 421.501 3.710 20 5 HHBDRO CS(=O)(=O)c1ccc(NCc2ccccc2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000015141426 962672412 /nfs/dbraw/zinc/67/24/12/962672412.db2.gz NKYCSZMIBXACEV-UHFFFAOYSA-N 1 0 403.504 3.596 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1)CC1CC1 ZINC000537807572 1013369457 /nfs/dbraw/zinc/36/94/57/1013369457.db2.gz GSUHKCBANQCUNX-UHFFFAOYSA-N 1 0 404.511 3.969 20 5 HHBDRO COc1ccc(OCC[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)c([N+](=O)[O-])c1 ZINC000537842182 1013404458 /nfs/dbraw/zinc/40/44/58/1013404458.db2.gz WSYWSFMQZUTUNG-UHFFFAOYSA-N 1 0 412.442 3.543 20 5 HHBDRO COc1cc(C(=O)NCC2([NH+](C)C)CCCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000021201169 963431981 /nfs/dbraw/zinc/43/19/81/963431981.db2.gz SXXRISVFKMNMNN-UHFFFAOYSA-N 1 0 415.437 3.589 20 5 HHBDRO CCc1ccc([C@H]([NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542475177 1013422208 /nfs/dbraw/zinc/42/22/08/1013422208.db2.gz SOLAOLQGEQJDCE-HTAPYJJXSA-N 1 0 409.490 3.832 20 5 HHBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000553576274 1013472625 /nfs/dbraw/zinc/47/26/25/1013472625.db2.gz YVJNWFOMDQOMHA-UHFFFAOYSA-N 1 0 418.538 3.550 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000049790200 964213439 /nfs/dbraw/zinc/21/34/39/964213439.db2.gz RQHMACSNVFGLPN-FQEVSTJZSA-N 1 0 412.490 3.582 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccsc1 ZINC000050561560 964354223 /nfs/dbraw/zinc/35/42/23/964354223.db2.gz DQBCZJZCOIDGBS-MRXNPFEDSA-N 1 0 402.501 3.813 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000026340990 964530485 /nfs/dbraw/zinc/53/04/85/964530485.db2.gz VNQIMNMKVKLLBF-KRWDZBQOSA-N 1 0 410.474 3.583 20 5 HHBDRO CC(C)CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC[NH+](C)CC1 ZINC000051469441 964582510 /nfs/dbraw/zinc/58/25/10/964582510.db2.gz PQLSKGUZCYZUBS-UHFFFAOYSA-N 1 0 402.520 3.911 20 5 HHBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000051469372 964582540 /nfs/dbraw/zinc/58/25/40/964582540.db2.gz JYBBDZXGYYMHQK-UHFFFAOYSA-N 1 0 414.487 3.824 20 5 HHBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000051468941 964583165 /nfs/dbraw/zinc/58/31/65/964583165.db2.gz XGEGIWALBMQSNP-UHFFFAOYSA-N 1 0 400.504 3.666 20 5 HHBDRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)c(C)c2c1 ZINC000542582335 1013523113 /nfs/dbraw/zinc/52/31/13/1013523113.db2.gz RVXDMQGTMMXWHV-CYBMUJFWSA-N 1 0 413.430 3.956 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000537949409 1013531934 /nfs/dbraw/zinc/53/19/34/1013531934.db2.gz DWDKWGZTJPUSKK-HSALFYBXSA-N 1 0 415.559 3.691 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000537952803 1013533479 /nfs/dbraw/zinc/53/34/79/1013533479.db2.gz UBUPFXWBGDYLLJ-PXAZEXFGSA-N 1 0 411.380 3.654 20 5 HHBDRO COc1ccccc1N1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000537959454 1013538653 /nfs/dbraw/zinc/53/86/53/1013538653.db2.gz HGWYWZHDUHAFMZ-NEWSRXKRSA-N 1 0 409.486 3.710 20 5 HHBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000553673380 1013538451 /nfs/dbraw/zinc/53/84/51/1013538451.db2.gz AUSKKMDZHDGDFK-FQEVSTJZSA-N 1 0 417.513 3.540 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000053324909 965131841 /nfs/dbraw/zinc/13/18/41/965131841.db2.gz HOYNXGLUJLOGMJ-UHFFFAOYSA-N 1 0 417.893 3.716 20 5 HHBDRO O=c1ccccn1Cc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000537992490 1013567879 /nfs/dbraw/zinc/56/78/79/1013567879.db2.gz ZJFHHLFDFKYMLX-JOCHJYFZSA-N 1 0 403.482 3.916 20 5 HHBDRO COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[NH+]2CCCCC2)cc1 ZINC000054123732 965391551 /nfs/dbraw/zinc/39/15/51/965391551.db2.gz GMJHHTVETZOBEN-FQEVSTJZSA-N 1 0 401.438 3.700 20 5 HHBDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000538018634 1013590492 /nfs/dbraw/zinc/59/04/92/1013590492.db2.gz RYZAMBVLCVIZIW-GJZGRUSLSA-N 1 0 401.463 3.988 20 5 HHBDRO O=C(CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1cccc2ccccc21 ZINC000030912024 965830015 /nfs/dbraw/zinc/83/00/15/965830015.db2.gz UZCKTYGTILNCBJ-UHFFFAOYSA-N 1 0 404.470 3.899 20 5 HHBDRO COc1ccccc1[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000542683537 1013604166 /nfs/dbraw/zinc/60/41/66/1013604166.db2.gz RNJTXKLMMUYBFS-NRFANRHFSA-N 1 0 418.515 3.898 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000055752136 966047898 /nfs/dbraw/zinc/04/78/98/966047898.db2.gz ZCZXXLXVSSRZCM-LJQANCHMSA-N 1 0 413.474 3.569 20 5 HHBDRO Cc1ccc(NS(=O)(=O)c2ccc(NCC[N@@H+](C)C3CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000060061454 966054890 /nfs/dbraw/zinc/05/48/90/966054890.db2.gz UMBJDUSVMQUXPQ-UHFFFAOYSA-N 1 0 418.519 3.519 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000055870071 966111040 /nfs/dbraw/zinc/11/10/40/966111040.db2.gz ICUMMDNOAVHPCX-CALCHBBNSA-N 1 0 412.490 3.563 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1Cl ZINC000032317645 966221896 /nfs/dbraw/zinc/22/18/96/966221896.db2.gz WHGLAYPGZKTWTQ-KRWDZBQOSA-N 1 0 419.865 3.790 20 5 HHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056159849 966239766 /nfs/dbraw/zinc/23/97/66/966239766.db2.gz ABGAGAGXDRDIFF-UONOGXRCSA-N 1 0 411.462 3.557 20 5 HHBDRO CC[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000032446668 966257047 /nfs/dbraw/zinc/25/70/47/966257047.db2.gz SOAMKRNBCWSAGI-OAQYLSRUSA-N 1 0 410.518 3.740 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)s1 ZINC000060920541 966327250 /nfs/dbraw/zinc/32/72/50/966327250.db2.gz DZWWMUCTZWQFNG-UHFFFAOYSA-N 1 0 409.533 3.511 20 5 HHBDRO C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056441129 966336909 /nfs/dbraw/zinc/33/69/09/966336909.db2.gz GLUOMAIBDKWFRZ-HNNXBMFYSA-N 1 0 400.454 3.759 20 5 HHBDRO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061287490 966421003 /nfs/dbraw/zinc/42/10/03/966421003.db2.gz CRDJJBKNMKPKNF-UHFFFAOYSA-N 1 0 415.515 3.594 20 5 HHBDRO CCOc1ccc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1[N+](=O)[O-] ZINC000061288896 966422123 /nfs/dbraw/zinc/42/21/23/966422123.db2.gz USRYPOXJAINOPK-UHFFFAOYSA-N 1 0 415.515 3.837 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000061885394 966575080 /nfs/dbraw/zinc/57/50/80/966575080.db2.gz VLBHSFPUXGWNOO-ROUUACIJSA-N 1 0 411.502 3.768 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000041896494 966662117 /nfs/dbraw/zinc/66/21/17/966662117.db2.gz HMUKIDFFBKQOMJ-UHFFFAOYSA-N 1 0 413.474 3.613 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000063704065 966932817 /nfs/dbraw/zinc/93/28/17/966932817.db2.gz KKHITFROYSPYGM-UHFFFAOYSA-N 1 0 420.307 3.870 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000043522072 966991087 /nfs/dbraw/zinc/99/10/87/966991087.db2.gz FLBLXUIMVIEABQ-UHFFFAOYSA-N 1 0 411.506 3.709 20 5 HHBDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c(C(F)(F)F)c2)CC1 ZINC000044796552 967291827 /nfs/dbraw/zinc/29/18/27/967291827.db2.gz RZVFZJDLDLMGTC-UHFFFAOYSA-N 1 0 408.380 3.618 20 5 HHBDRO C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[N@@H+]1CCc2ccccc2C1 ZINC000064907836 967325228 /nfs/dbraw/zinc/32/52/28/967325228.db2.gz OMJSUUVDFAXLMA-HNNXBMFYSA-N 1 0 422.510 3.895 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(OC(C)C)c(OC)c2)c([N+](=O)[O-])c1 ZINC000538154261 1013714552 /nfs/dbraw/zinc/71/45/52/1013714552.db2.gz AZDYISSCDHJODW-CQSZACIVSA-N 1 0 417.462 3.689 20 5 HHBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000065101941 967376902 /nfs/dbraw/zinc/37/69/02/967376902.db2.gz VFNDOFQQNNQJOB-OAHLLOKOSA-N 1 0 402.520 3.960 20 5 HHBDRO C[C@@H](CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000542864939 1013718761 /nfs/dbraw/zinc/71/87/61/1013718761.db2.gz OTRNMMOEUVICSX-AWEZNQCLSA-N 1 0 407.417 3.837 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000045304672 967413737 /nfs/dbraw/zinc/41/37/37/967413737.db2.gz JDGDBYVLQCNOIK-OAQYLSRUSA-N 1 0 414.506 3.828 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OCC ZINC000538168193 1013728388 /nfs/dbraw/zinc/72/83/88/1013728388.db2.gz QZUPSCBVRRDDOG-OAHLLOKOSA-N 1 0 401.463 3.990 20 5 HHBDRO CC(C)(C)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000538200147 1013755417 /nfs/dbraw/zinc/75/54/17/1013755417.db2.gz VEWFSVJOELWZQE-HOTGVXAUSA-N 1 0 400.401 3.548 20 5 HHBDRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000538200148 1013755618 /nfs/dbraw/zinc/75/56/18/1013755618.db2.gz VEWFSVJOELWZQE-HZPDHXFCSA-N 1 0 400.401 3.548 20 5 HHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000046762417 967956888 /nfs/dbraw/zinc/95/68/88/967956888.db2.gz JJYSIBINQJILGW-UHFFFAOYSA-N 1 0 407.474 3.552 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cccs1 ZINC000047718485 968286223 /nfs/dbraw/zinc/28/62/23/968286223.db2.gz FSZQCXJTZZKOBE-AWEZNQCLSA-N 1 0 417.409 3.630 20 5 HHBDRO C[C@@H](OC[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(Cl)cc1 ZINC000047745360 968295997 /nfs/dbraw/zinc/29/59/97/968295997.db2.gz WUACVKXGHPHWRR-IERDGZPVSA-N 1 0 419.909 3.509 20 5 HHBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047864618 968346008 /nfs/dbraw/zinc/34/60/08/968346008.db2.gz KOUYFYUKMLDOTF-AWEZNQCLSA-N 1 0 410.377 3.748 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047866028 968347145 /nfs/dbraw/zinc/34/71/45/968347145.db2.gz CTRGNPUELMTIKE-CYBMUJFWSA-N 1 0 400.426 3.972 20 5 HHBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000048093671 968420169 /nfs/dbraw/zinc/42/01/69/968420169.db2.gz MAJKMMXNQKTVQE-UHFFFAOYSA-N 1 0 403.401 3.532 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000554135734 1013815648 /nfs/dbraw/zinc/81/56/48/1013815648.db2.gz OHBFYTUDCVOZDF-CSODHUTKSA-N 1 0 423.517 3.862 20 5 HHBDRO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000538276068 1013815820 /nfs/dbraw/zinc/81/58/20/1013815820.db2.gz CUCBBMUKLHPDHV-MRXNPFEDSA-N 1 0 421.501 3.673 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@H](CC(C)C)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000538277972 1013817216 /nfs/dbraw/zinc/81/72/16/1013817216.db2.gz WOLISYHZVQSRGP-GOSISDBHSA-N 1 0 401.463 3.928 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000065938283 968728448 /nfs/dbraw/zinc/72/84/48/968728448.db2.gz XCESIBWRBUQOOZ-UHFFFAOYSA-N 1 0 418.444 3.651 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000065938885 968729146 /nfs/dbraw/zinc/72/91/46/968729146.db2.gz AQSWCECMHHLPAO-UHFFFAOYSA-N 1 0 413.371 3.957 20 5 HHBDRO COc1cccc([C@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[NH+](C)C)c1 ZINC000069366715 968830968 /nfs/dbraw/zinc/83/09/68/968830968.db2.gz NPQRFCNTUNCMKX-KUHUBIRLSA-N 1 0 403.504 3.503 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072025407 968939563 /nfs/dbraw/zinc/93/95/63/968939563.db2.gz DDSREINQPCEKHW-UHFFFAOYSA-N 1 0 421.295 3.953 20 5 HHBDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)c2)CC1 ZINC000072067132 968968884 /nfs/dbraw/zinc/96/88/84/968968884.db2.gz LEQZRSJCOSBQMW-UHFFFAOYSA-N 1 0 407.474 3.633 20 5 HHBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000108579416 969396522 /nfs/dbraw/zinc/39/65/22/969396522.db2.gz MVQCXBQJAYEKOG-UHFFFAOYSA-N 1 0 414.550 3.923 20 5 HHBDRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000109307246 969495661 /nfs/dbraw/zinc/49/56/61/969495661.db2.gz BCYLSGDWRRGKOS-HXUWFJFHSA-N 1 0 422.529 3.837 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000110514610 969680710 /nfs/dbraw/zinc/68/07/10/969680710.db2.gz SAQUDSXNGXDCAM-KRWDZBQOSA-N 1 0 411.458 3.706 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)c1 ZINC000554308786 1013904214 /nfs/dbraw/zinc/90/42/14/1013904214.db2.gz DMNBTBQQVSRQHJ-SFHVURJKSA-N 1 0 413.449 3.835 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1C ZINC000111049141 969766844 /nfs/dbraw/zinc/76/68/44/969766844.db2.gz AJKHRMDDUCDBTA-MRXNPFEDSA-N 1 0 405.520 3.619 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000115926291 969862505 /nfs/dbraw/zinc/86/25/05/969862505.db2.gz PXNRXNJLRRETMV-UHFFFAOYSA-N 1 0 409.408 3.747 20 5 HHBDRO Cc1cc(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000195662406 969940621 /nfs/dbraw/zinc/94/06/21/969940621.db2.gz RXLLWZXUERRXFO-IAGOWNOFSA-N 1 0 412.490 3.834 20 5 HHBDRO COc1cc(C[N@@H+]2CCCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000195669064 969945000 /nfs/dbraw/zinc/94/50/00/969945000.db2.gz PVPGZTHHJZMXDF-UHFFFAOYSA-N 1 0 407.417 3.917 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000554376453 1013925254 /nfs/dbraw/zinc/92/52/54/1013925254.db2.gz QUZSYRGJGLEKMK-UKRRQHHQSA-N 1 0 417.428 3.978 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000138428059 969994210 /nfs/dbraw/zinc/99/42/10/969994210.db2.gz MXIHMZXZGJLJTN-OAHLLOKOSA-N 1 0 417.893 3.928 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000554415335 1013940188 /nfs/dbraw/zinc/94/01/88/1013940188.db2.gz PTLBTMKCAQARBR-UHFFFAOYSA-N 1 0 409.486 3.732 20 5 HHBDRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236591275 970143272 /nfs/dbraw/zinc/14/32/72/970143272.db2.gz IFOCYIAPABXZBA-UHFFFAOYSA-N 1 0 410.467 3.829 20 5 HHBDRO CC[N@@H+]1CCCC[C@H]1CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000236828287 970177657 /nfs/dbraw/zinc/17/76/57/970177657.db2.gz YIBIWDKWZFYQCC-AWEZNQCLSA-N 1 0 405.417 3.509 20 5 HHBDRO CCOc1cc(C[NH2+][C@H]2CCC[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000237023779 970208820 /nfs/dbraw/zinc/20/88/20/970208820.db2.gz KCXPGPIKKKWRRF-YJBOKZPZSA-N 1 0 402.495 3.856 20 5 HHBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000237075733 970218180 /nfs/dbraw/zinc/21/81/80/970218180.db2.gz RSSMNHYNMUBBLN-CYBMUJFWSA-N 1 0 406.533 3.583 20 5 HHBDRO COc1cc(CNCC(C)(C)[NH+]2CCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237121703 970226227 /nfs/dbraw/zinc/22/62/27/970226227.db2.gz VIXIRXZIQMTCKL-UHFFFAOYSA-N 1 0 419.444 3.899 20 5 HHBDRO CN(C)c1cc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC000237172030 970234978 /nfs/dbraw/zinc/23/49/78/970234978.db2.gz BJWGOTCTWUGKQE-UHFFFAOYSA-N 1 0 416.485 3.899 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@]2(C)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237180566 970236890 /nfs/dbraw/zinc/23/68/90/970236890.db2.gz GXIBVUBNKWRLOS-VXKWHMMOSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237242144 970247823 /nfs/dbraw/zinc/24/78/23/970247823.db2.gz YNHGUIFPGQFWFN-VXKWHMMOSA-N 1 0 400.475 3.823 20 5 HHBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H](C)N1CCOCC1 ZINC000237405955 970278997 /nfs/dbraw/zinc/27/89/97/970278997.db2.gz DCTPMKRGAGNWPF-HZPDHXFCSA-N 1 0 403.454 3.725 20 5 HHBDRO COc1cc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)c([N+](=O)[O-])cc1OC ZINC000237415260 970281025 /nfs/dbraw/zinc/28/10/25/970281025.db2.gz JSSOFVCPUNFSBY-UHFFFAOYSA-N 1 0 401.394 3.738 20 5 HHBDRO COc1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC000237413464 970281233 /nfs/dbraw/zinc/28/12/33/970281233.db2.gz LYDFXLUMAYJRCF-HNNXBMFYSA-N 1 0 420.307 3.982 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](O)COc3ccc(F)cc3)o2)c([N+](=O)[O-])c1 ZINC000237428691 970283868 /nfs/dbraw/zinc/28/38/68/970283868.db2.gz JXWUMPHIGPCSBI-OAHLLOKOSA-N 1 0 416.405 3.532 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCc3n[nH]cc3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237436265 970285705 /nfs/dbraw/zinc/28/57/05/970285705.db2.gz WBMPZCUTTXMENH-SFHVURJKSA-N 1 0 408.458 3.553 20 5 HHBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H](C)N1CCOCC1 ZINC000237556176 970312482 /nfs/dbraw/zinc/31/24/82/970312482.db2.gz DCTPMKRGAGNWPF-HOTGVXAUSA-N 1 0 403.454 3.725 20 5 HHBDRO O=C1C[C@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CN1C1CC1 ZINC000237733283 970349198 /nfs/dbraw/zinc/34/91/98/970349198.db2.gz YQOIJJUIXOANCJ-HNNXBMFYSA-N 1 0 401.850 3.893 20 5 HHBDRO Cn1cc(C[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237769835 970361671 /nfs/dbraw/zinc/36/16/71/970361671.db2.gz VUAHQBWTVQDAAQ-MRXNPFEDSA-N 1 0 409.465 3.751 20 5 HHBDRO O=C(c1ccoc1)N1CCC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000237916127 970394237 /nfs/dbraw/zinc/39/42/37/970394237.db2.gz OPVIYIDICKBYJM-UHFFFAOYSA-N 1 0 412.471 3.706 20 5 HHBDRO Cn1cc(C[NH2+]Cc2cccnc2OCC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237935615 970398717 /nfs/dbraw/zinc/39/87/17/970398717.db2.gz MDFHLKZDDZTDEJ-UHFFFAOYSA-N 1 0 421.379 3.621 20 5 HHBDRO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237941303 970400979 /nfs/dbraw/zinc/40/09/79/970400979.db2.gz VGEGTGNZDXITQL-PKOBYXMFSA-N 1 0 419.485 3.581 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000237949211 970403238 /nfs/dbraw/zinc/40/32/38/970403238.db2.gz HLYCOHSATPIZJM-DHZHZOJOSA-N 1 0 415.515 3.572 20 5 HHBDRO O=[N+]([O-])c1cc(CNC[C@@H](O)C[NH+]2CCCC2)ccc1Oc1ccccc1Cl ZINC000237962936 970406744 /nfs/dbraw/zinc/40/67/44/970406744.db2.gz IIUSQHICAUKHKW-MRXNPFEDSA-N 1 0 405.882 3.587 20 5 HHBDRO C[C@@H]1[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000554642293 1013997970 /nfs/dbraw/zinc/99/79/70/1013997970.db2.gz ZRFNLKLZBQGJCZ-CJNGLKHVSA-N 1 0 405.401 3.589 20 5 HHBDRO COc1ccccc1[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000301087602 970741801 /nfs/dbraw/zinc/74/18/01/970741801.db2.gz XRWIFFZMPXFWIQ-LJQANCHMSA-N 1 0 409.446 3.501 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301116340 970756574 /nfs/dbraw/zinc/75/65/74/970756574.db2.gz KXNOIIYENLXAKT-GASCZTMLSA-N 1 0 400.445 3.608 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000554843831 1014071847 /nfs/dbraw/zinc/07/18/47/1014071847.db2.gz OEVPAEFPOLKUJY-UTKZUKDTSA-N 1 0 411.506 3.747 20 5 HHBDRO C[C@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000410050090 973534059 /nfs/dbraw/zinc/53/40/59/973534059.db2.gz RXJDORHUFODYHB-OAHLLOKOSA-N 1 0 418.444 3.580 20 5 HHBDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000410056438 973540993 /nfs/dbraw/zinc/54/09/93/973540993.db2.gz YSRFDGHYHYYZSI-NRFANRHFSA-N 1 0 411.502 3.563 20 5 HHBDRO C[N@H+]1C[C@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C[C@H]2C1 ZINC000426000572 974114883 /nfs/dbraw/zinc/11/48/83/974114883.db2.gz HNPTWIRISBKTTA-BETUJISGSA-N 1 0 406.280 3.611 20 5 HHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000426153328 974269564 /nfs/dbraw/zinc/26/95/64/974269564.db2.gz MBHRBPIOCGNPHQ-UHFFFAOYSA-N 1 0 412.490 3.824 20 5 HHBDRO C[C@@H]1C[N@@H+](CCC2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)C[C@H](C)O1 ZINC000426390923 974428324 /nfs/dbraw/zinc/42/83/24/974428324.db2.gz NCLSDNAIXJMZLP-GASCZTMLSA-N 1 0 413.465 3.912 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@](O)(C3CC3)C2)cc1 ZINC000426517167 974501618 /nfs/dbraw/zinc/50/16/18/974501618.db2.gz YOYKPRCOWKWDKP-QHCPKHFHSA-N 1 0 404.470 3.794 20 5 HHBDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000426642297 974578561 /nfs/dbraw/zinc/57/85/61/974578561.db2.gz HIVKTTZRJZZVCT-GASCZTMLSA-N 1 0 424.929 3.991 20 5 HHBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000427055560 974862096 /nfs/dbraw/zinc/86/20/96/974862096.db2.gz WMTIJLHMYWXJLP-RXVVDRJESA-N 1 0 409.486 3.730 20 5 HHBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000427116084 974917103 /nfs/dbraw/zinc/91/71/03/974917103.db2.gz FNLRQAVHPGQVPG-UHFFFAOYSA-N 1 0 418.881 3.651 20 5 HHBDRO CCc1ccc(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000427342971 975066295 /nfs/dbraw/zinc/06/62/95/975066295.db2.gz UDSQUOXEDFKFRW-IAGOWNOFSA-N 1 0 403.523 3.509 20 5 HHBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427443828 975121168 /nfs/dbraw/zinc/12/11/68/975121168.db2.gz WYKSRSMBWNBDKS-LJQANCHMSA-N 1 0 409.486 3.921 20 5 HHBDRO Cc1c(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000428390300 975711601 /nfs/dbraw/zinc/71/16/01/975711601.db2.gz SVWMWDLUZWHNTP-UHFFFAOYSA-N 1 0 420.473 3.640 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](CO)CC(F)F)cc1 ZINC000428656323 975956293 /nfs/dbraw/zinc/95/62/93/975956293.db2.gz PKVACWLTBDXXCE-MRXNPFEDSA-N 1 0 402.401 3.553 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000430207917 977392386 /nfs/dbraw/zinc/39/23/86/977392386.db2.gz NTKOWCNFETWUTM-KRWDZBQOSA-N 1 0 412.490 3.946 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000430207919 977392445 /nfs/dbraw/zinc/39/24/45/977392445.db2.gz NTKOWCNFETWUTM-QGZVFWFLSA-N 1 0 412.490 3.946 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000430619311 977657025 /nfs/dbraw/zinc/65/70/25/977657025.db2.gz AYMVVOFEQKJIMW-YLJYHZDGSA-N 1 0 419.485 3.563 20 5 HHBDRO Cc1cc(OCC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000430675714 977686883 /nfs/dbraw/zinc/68/68/83/977686883.db2.gz ACKRCIGYEHXGFM-ICSRJNTNSA-N 1 0 411.502 3.794 20 5 HHBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000430764302 977741029 /nfs/dbraw/zinc/74/10/29/977741029.db2.gz CDVKXIIQMZXLHI-GOSISDBHSA-N 1 0 422.279 3.575 20 5 HHBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000430861059 977819661 /nfs/dbraw/zinc/81/96/61/977819661.db2.gz AFWAJDHCLXRULC-PGRDOPGGSA-N 1 0 408.502 3.763 20 5 HHBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000431165261 978065763 /nfs/dbraw/zinc/06/57/63/978065763.db2.gz CSDGPXQRPIFWBU-UHFFFAOYSA-N 1 0 418.291 3.705 20 5 HHBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000431838484 978546308 /nfs/dbraw/zinc/54/63/08/978546308.db2.gz SKSHVJQYXNWGID-UHFFFAOYSA-N 1 0 411.550 3.776 20 5 HHBDRO Cc1cc(OCC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000432188709 978706457 /nfs/dbraw/zinc/70/64/57/978706457.db2.gz XOHZIQOHJKXTAY-OFNKIYASSA-N 1 0 423.513 3.795 20 5 HHBDRO C[C@@H]1COCC[C@H]1[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000432229632 978723413 /nfs/dbraw/zinc/72/34/13/978723413.db2.gz SMMSGJLFACLKJG-OMWUSAIZSA-N 1 0 403.866 3.943 20 5 HHBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432312958 978757143 /nfs/dbraw/zinc/75/71/43/978757143.db2.gz KUEZRZHQSRKSMN-UHFFFAOYSA-N 1 0 411.550 3.776 20 5 HHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433108917 979076718 /nfs/dbraw/zinc/07/67/18/979076718.db2.gz BPNQRCOBTQVIKP-LJQANCHMSA-N 1 0 422.529 3.910 20 5 HHBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433142832 979096712 /nfs/dbraw/zinc/09/67/12/979096712.db2.gz FSIOEHZAHYKXBY-OAQYLSRUSA-N 1 0 409.486 3.579 20 5 HHBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433147132 979099274 /nfs/dbraw/zinc/09/92/74/979099274.db2.gz NKEMDICEWUVUDW-OAQYLSRUSA-N 1 0 419.485 3.942 20 5 HHBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000433165970 979110948 /nfs/dbraw/zinc/11/09/48/979110948.db2.gz WLWRVKCNAZTOIE-XOBRGWDASA-N 1 0 417.531 3.918 20 5 HHBDRO CC1(C)C[C@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433170256 979114350 /nfs/dbraw/zinc/11/43/50/979114350.db2.gz VKJAXFXVWWXWOY-QFIPXVFZSA-N 1 0 423.513 3.807 20 5 HHBDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433250991 979183230 /nfs/dbraw/zinc/18/32/30/979183230.db2.gz ZWLXCBRXJREDRG-UTKZUKDTSA-N 1 0 409.534 3.513 20 5 HHBDRO COc1ccc(CN2CC[C@@H]([NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000433279283 979212756 /nfs/dbraw/zinc/21/27/56/979212756.db2.gz QDPAPSKGYRQYIN-RTWAWAEBSA-N 1 0 409.486 3.717 20 5 HHBDRO CCc1cc(N(CC[NH+](C)C)Cc2ccccn2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000433432261 979301013 /nfs/dbraw/zinc/30/10/13/979301013.db2.gz GFVZWSGSEPNDCV-UHFFFAOYSA-N 1 0 406.490 3.577 20 5 HHBDRO CC(C)c1n[nH]c(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000433833805 979612910 /nfs/dbraw/zinc/61/29/10/979612910.db2.gz PLGHIHIBCCFEPB-IYBDPMFKSA-N 1 0 413.522 3.849 20 5 HHBDRO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000434623485 980304206 /nfs/dbraw/zinc/30/42/06/980304206.db2.gz LMACNYLZBIMSIZ-HXUWFJFHSA-N 1 0 403.410 3.730 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434683249 980336958 /nfs/dbraw/zinc/33/69/58/980336958.db2.gz CILRAUZQQIUIKU-UHFFFAOYSA-N 1 0 411.506 3.644 20 5 HHBDRO Cc1c(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435323499 980782376 /nfs/dbraw/zinc/78/23/76/980782376.db2.gz MYJLLLGMQFZCAU-UHFFFAOYSA-N 1 0 411.300 3.662 20 5 HHBDRO CCC[NH+]1CCC(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000435328740 980787531 /nfs/dbraw/zinc/78/75/31/980787531.db2.gz MPWOLMGJXAVPAM-UHFFFAOYSA-N 1 0 413.316 3.909 20 5 HHBDRO COc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000435817163 981043799 /nfs/dbraw/zinc/04/37/99/981043799.db2.gz JXTRELWZGVZEJZ-HSZRJFAPSA-N 1 0 409.486 3.732 20 5 HHBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)o1 ZINC000436239066 981264219 /nfs/dbraw/zinc/26/42/19/981264219.db2.gz KLGANPLAUZHUAT-UHFFFAOYSA-N 1 0 403.482 3.787 20 5 HHBDRO O=[N+]([O-])c1ccc2c(c1NC1CC[NH+](CCOc3ccc(F)cc3)CC1)CCN2 ZINC000436380413 981337945 /nfs/dbraw/zinc/33/79/45/981337945.db2.gz AYDWCPRFQCSJFX-UHFFFAOYSA-N 1 0 400.454 3.657 20 5 HHBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000448286675 981673848 /nfs/dbraw/zinc/67/38/48/981673848.db2.gz ASZVOUJYMLHNTF-OAHLLOKOSA-N 1 0 402.520 3.816 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)O[C@@]4(CCO[C@@H]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000448362977 981724647 /nfs/dbraw/zinc/72/46/47/981724647.db2.gz PLUTWTNZYPAUKZ-ZSDSOXJFSA-N 1 0 402.447 3.632 20 5 HHBDRO CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000437094310 981757979 /nfs/dbraw/zinc/75/79/79/981757979.db2.gz VIBPQLRXGNTFPM-QGZVFWFLSA-N 1 0 407.392 3.960 20 5 HHBDRO C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000437461467 982093437 /nfs/dbraw/zinc/09/34/37/982093437.db2.gz VAAMJLGNXGIINW-LJQANCHMSA-N 1 0 422.529 3.932 20 5 HHBDRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437461327 982093534 /nfs/dbraw/zinc/09/35/34/982093534.db2.gz KDJANXDXJILTNP-UHFFFAOYSA-N 1 0 422.529 3.688 20 5 HHBDRO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)CC2)cs1 ZINC000437528961 982155372 /nfs/dbraw/zinc/15/53/72/982155372.db2.gz WUVWZEQNUOPNIN-INIZCTEOSA-N 1 0 404.536 3.775 20 5 HHBDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)[C@H](C)C1 ZINC000460613535 982392184 /nfs/dbraw/zinc/39/21/84/982392184.db2.gz LCAXPFAIQPXWSM-VQIMIIECSA-N 1 0 400.527 3.676 20 5 HHBDRO C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000460653055 982424508 /nfs/dbraw/zinc/42/45/08/982424508.db2.gz FMVZCCULHNNHNQ-IHPCNDPISA-N 1 0 408.502 3.819 20 5 HHBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437911736 982458376 /nfs/dbraw/zinc/45/83/76/982458376.db2.gz ALDVROQPJLWGBU-UHFFFAOYSA-N 1 0 422.529 3.976 20 5 HHBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000461115940 982808976 /nfs/dbraw/zinc/80/89/76/982808976.db2.gz IESSFNLZVAJSSW-UHFFFAOYSA-N 1 0 401.894 3.819 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000461420536 983084182 /nfs/dbraw/zinc/08/41/82/983084182.db2.gz BCWLAHWVFCTKDA-ROUUACIJSA-N 1 0 411.527 3.911 20 5 HHBDRO COc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000461438104 983101790 /nfs/dbraw/zinc/10/17/90/983101790.db2.gz KGTRXZDUXLZWCI-ICSRJNTNSA-N 1 0 409.486 3.506 20 5 HHBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461448798 983113981 /nfs/dbraw/zinc/11/39/81/983113981.db2.gz LQGWJYXCUUWHBP-ICSRJNTNSA-N 1 0 418.497 3.599 20 5 HHBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461456647 983122930 /nfs/dbraw/zinc/12/29/30/983122930.db2.gz PWYHDZFIUHSZRA-IEBWSBKVSA-N 1 0 405.454 3.935 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000439016097 983212093 /nfs/dbraw/zinc/21/20/93/983212093.db2.gz BLNMOMOHXQTFFJ-NSGGIEJNSA-N 1 0 403.523 3.883 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000439905888 983578457 /nfs/dbraw/zinc/57/84/57/983578457.db2.gz VBBKBOITQNEPAI-QGZVFWFLSA-N 1 0 402.451 3.935 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000441090739 984064160 /nfs/dbraw/zinc/06/41/60/984064160.db2.gz DAXUHQYZOQGWKY-UHFFFAOYSA-N 1 0 405.882 3.770 20 5 HHBDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000441378731 984219046 /nfs/dbraw/zinc/21/90/46/984219046.db2.gz OINYGMZPOIAEMM-XLIONFOSSA-N 1 0 407.474 3.766 20 5 HHBDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441384344 984222836 /nfs/dbraw/zinc/22/28/36/984222836.db2.gz NQQCDILROAXZBB-LAUBAEHRSA-N 1 0 407.474 3.766 20 5 HHBDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441467409 984266989 /nfs/dbraw/zinc/26/69/89/984266989.db2.gz ASFZXFCKEPCWLF-YJBOKZPZSA-N 1 0 415.519 3.586 20 5 HHBDRO COc1ccccc1-c1ccc([C@H](C)[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000441468705 984267330 /nfs/dbraw/zinc/26/73/30/984267330.db2.gz HERGDFJXVNKSKW-OXJNMPFZSA-N 1 0 410.474 3.521 20 5 HHBDRO COc1ccc2ccccc2c1C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000441476774 984273213 /nfs/dbraw/zinc/27/32/13/984273213.db2.gz AIPPDBQSIJIPED-HXUWFJFHSA-N 1 0 424.501 3.759 20 5 HHBDRO C[NH+](C)CC1CCC(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000441953573 984563138 /nfs/dbraw/zinc/56/31/38/984563138.db2.gz IDMRDGASXKPSID-UHFFFAOYSA-N 1 0 416.444 3.652 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000462175463 985154239 /nfs/dbraw/zinc/15/42/39/985154239.db2.gz JWKGGXHFPQGHOR-GUYCJALGSA-N 1 0 407.392 3.864 20 5 HHBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442739416 985196145 /nfs/dbraw/zinc/19/61/45/985196145.db2.gz JWZMVFKHRMNWCV-MRXNPFEDSA-N 1 0 415.515 3.587 20 5 HHBDRO Cc1cc(N2CC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1Br ZINC000462361919 985349607 /nfs/dbraw/zinc/34/96/07/985349607.db2.gz ZGPHEHGBAVTYCF-KRWDZBQOSA-N 1 0 404.264 3.561 20 5 HHBDRO C[NH+](C)Cc1cc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)ccc1F ZINC000462499398 985451817 /nfs/dbraw/zinc/45/18/17/985451817.db2.gz IIJYHJNGYZUNNX-UHFFFAOYSA-N 1 0 410.449 4.382 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])s2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000443514970 985686192 /nfs/dbraw/zinc/68/61/92/985686192.db2.gz AHADZBJLDFNBGY-DOMZBBRYSA-N 1 0 400.426 4.565 20 5 HHBDRO CNc1c(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cccc1[N+](=O)[O-] ZINC000462777475 985713660 /nfs/dbraw/zinc/71/36/60/985713660.db2.gz HRVKTBXOJZFZTR-HSZRJFAPSA-N 1 0 408.502 3.765 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000462806205 985737327 /nfs/dbraw/zinc/73/73/27/985737327.db2.gz GDHNWEWWKBNVCZ-XJKSGUPXSA-N 1 0 407.392 3.864 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000443701547 985915532 /nfs/dbraw/zinc/91/55/32/985915532.db2.gz WMAJRPSWBCHFJS-KRWDZBQOSA-N 1 0 417.531 3.589 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000468290465 985988324 /nfs/dbraw/zinc/98/83/24/985988324.db2.gz ODIAEHKOLULWEE-CQSZACIVSA-N 1 0 417.487 3.731 20 5 HHBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1OCCCO ZINC000463035640 985994342 /nfs/dbraw/zinc/99/43/42/985994342.db2.gz IMUIRAKTXWJYKK-CYBMUJFWSA-N 1 0 409.280 3.969 20 5 HHBDRO NC(=O)c1ccc(N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000443890825 986090542 /nfs/dbraw/zinc/09/05/42/986090542.db2.gz CLXBTRBUNWWUHG-UHFFFAOYSA-N 1 0 414.465 3.586 20 5 HHBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000468458626 986153024 /nfs/dbraw/zinc/15/30/24/986153024.db2.gz RBBPAXUAZNEGQB-LJQANCHMSA-N 1 0 413.468 3.810 20 5 HHBDRO O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000444007546 986203778 /nfs/dbraw/zinc/20/37/78/986203778.db2.gz FHOLMPKOFUCWMJ-OAHLLOKOSA-N 1 0 411.452 3.660 20 5 HHBDRO O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000444007544 986204157 /nfs/dbraw/zinc/20/41/57/986204157.db2.gz FHOLMPKOFUCWMJ-HNNXBMFYSA-N 1 0 411.452 3.660 20 5 HHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCc1cccc(Br)c1 ZINC000463416561 986387390 /nfs/dbraw/zinc/38/73/90/986387390.db2.gz BHKLOUFUBCMIEV-CYBMUJFWSA-N 1 0 406.280 3.859 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000444220177 986404181 /nfs/dbraw/zinc/40/41/81/986404181.db2.gz ZKEGAUMOPQCXQA-LEOMRAHMSA-N 1 0 405.495 3.602 20 5 HHBDRO COc1ccccc1C[C@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000444238456 986429271 /nfs/dbraw/zinc/42/92/71/986429271.db2.gz JVLHDWVKXSGOAF-HNNXBMFYSA-N 1 0 401.463 3.504 20 5 HHBDRO C[C@@H]1C[C@@H](CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000468715080 986429890 /nfs/dbraw/zinc/42/98/90/986429890.db2.gz NAIIKFCOHSTRLS-SJLPKXTDSA-N 1 0 417.531 3.711 20 5 HHBDRO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000444242775 986434965 /nfs/dbraw/zinc/43/49/65/986434965.db2.gz HAGWKSNOLGQARO-SBUREZEXSA-N 1 0 401.510 3.770 20 5 HHBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C2)CC1 ZINC000444251045 986446674 /nfs/dbraw/zinc/44/66/74/986446674.db2.gz XRHBLSHDZQVMHE-MRXNPFEDSA-N 1 0 407.489 3.624 20 5 HHBDRO CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccc2[nH]c(CCN3CCOCC3)[nH+]c2c1 ZINC000468747995 986461272 /nfs/dbraw/zinc/46/12/72/986461272.db2.gz HBXQTQXUCXDLKX-LGMDPLHJSA-N 1 0 421.501 3.861 20 5 HHBDRO C[NH+](C)CC1(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCCC1 ZINC000444308785 986491968 /nfs/dbraw/zinc/49/19/68/986491968.db2.gz DVPHINCYBWBCKL-UHFFFAOYSA-N 1 0 413.468 3.811 20 5 HHBDRO CN(CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000463568311 986545862 /nfs/dbraw/zinc/54/58/62/986545862.db2.gz HSSWVCHCUCNXFX-UHFFFAOYSA-N 1 0 410.518 3.723 20 5 HHBDRO COc1cccc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000444370564 986547325 /nfs/dbraw/zinc/54/73/25/986547325.db2.gz ZSJYWGAIHGETFV-OAHLLOKOSA-N 1 0 411.380 3.655 20 5 HHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000469788112 987433775 /nfs/dbraw/zinc/43/37/75/987433775.db2.gz AAIBPZWFFVKREX-LSDHHAIUSA-N 1 0 416.341 3.950 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)c1ncc([N+](=O)[O-])cc1Br ZINC000470076841 987975172 /nfs/dbraw/zinc/97/51/72/987975172.db2.gz SODQJDJAVNGGLO-UHFFFAOYSA-N 1 0 415.238 3.599 20 5 HHBDRO COC(=O)[C@@](C)(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000470150818 988059228 /nfs/dbraw/zinc/05/92/28/988059228.db2.gz YHRPORUHHRWJEI-NRFANRHFSA-N 1 0 411.483 3.939 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000463952930 988064382 /nfs/dbraw/zinc/06/43/82/988064382.db2.gz UMJHJKDOIGSOFH-UHFFFAOYSA-N 1 0 400.479 3.516 20 5 HHBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000470355007 988321625 /nfs/dbraw/zinc/32/16/25/988321625.db2.gz NDTNBUJTNNYAJZ-FGZHOGPDSA-N 1 0 422.529 3.833 20 5 HHBDRO COc1cc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])cc1F ZINC000464489278 988660097 /nfs/dbraw/zinc/66/00/97/988660097.db2.gz UXYIBELEUOHNAY-LBPRGKRZSA-N 1 0 402.348 3.795 20 5 HHBDRO CC(C)CN(C(=O)c1sc(Br)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000464571270 988747836 /nfs/dbraw/zinc/74/78/36/988747836.db2.gz DGJBDWQEOTUESN-UHFFFAOYSA-N 1 0 404.330 3.611 20 5 HHBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000464673577 988872171 /nfs/dbraw/zinc/87/21/71/988872171.db2.gz VOYAXPNOVPFEKJ-CEXWTWQISA-N 1 0 416.566 3.881 20 5 HHBDRO COc1cc(CN(C)[C@H](CO)c2cccc(Br)c2)c([N+](=O)[O-])cc1F ZINC000464687516 988894346 /nfs/dbraw/zinc/89/43/46/988894346.db2.gz FJJIQORHBDMLPS-MRXNPFEDSA-N 1 0 413.243 3.670 20 5 HHBDRO COC(=O)[C@H](C)[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000464875179 989136158 /nfs/dbraw/zinc/13/61/58/989136158.db2.gz DCORJMCSFYOVQW-VFNWGFHPSA-N 1 0 409.442 3.932 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000471279400 989432213 /nfs/dbraw/zinc/43/22/13/989432213.db2.gz ZBCOZQBSICTHDP-OAHLLOKOSA-N 1 0 418.291 3.609 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000471287836 989444515 /nfs/dbraw/zinc/44/45/15/989444515.db2.gz PTBFDEKDHHVACM-OAHLLOKOSA-N 1 0 418.291 3.609 20 5 HHBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CCNc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000465191829 989530288 /nfs/dbraw/zinc/53/02/88/989530288.db2.gz GYPKUFINAITBJO-KRWDZBQOSA-N 1 0 412.490 3.756 20 5 HHBDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)c1ccc(N3CCC(C)CC3)c([N+](=O)[O-])c1)CC2 ZINC000465365820 989718075 /nfs/dbraw/zinc/71/80/75/989718075.db2.gz QULWGGDKPIDGKN-UXHICEINSA-N 1 0 414.550 3.918 20 5 HHBDRO C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000471572285 989773979 /nfs/dbraw/zinc/77/39/79/989773979.db2.gz GMPAXTARRVCMFX-HTAPYJJXSA-N 1 0 410.518 3.619 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000466427737 991717128 /nfs/dbraw/zinc/71/71/28/991717128.db2.gz DFMZKLONTRBTDW-HXUWFJFHSA-N 1 0 401.438 3.700 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](C[C@H]4CCC5(CCCCC5)O4)CC3)nc2c1 ZINC000467203461 992528926 /nfs/dbraw/zinc/52/89/26/992528926.db2.gz YJZRKFNZHZOCIE-GOSISDBHSA-N 1 0 413.522 3.865 20 5 HHBDRO C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000467214077 992538204 /nfs/dbraw/zinc/53/82/04/992538204.db2.gz DTENENWAZGTWNC-MAUKXSAKSA-N 1 0 416.909 3.958 20 5 HHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)n1 ZINC000467402678 992710637 /nfs/dbraw/zinc/71/06/37/992710637.db2.gz FKAHBQSWAJWQPH-IEBWSBKVSA-N 1 0 419.913 3.555 20 5 HHBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000467552213 992831965 /nfs/dbraw/zinc/83/19/65/992831965.db2.gz WBLWDYWCFQKBHX-NRFANRHFSA-N 1 0 402.447 3.647 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000467717541 992970904 /nfs/dbraw/zinc/97/09/04/992970904.db2.gz DBQHBPQSZFKYEX-VLIAUNLRSA-N 1 0 411.458 3.608 20 5 HHBDRO CC(C)c1ccc(C(=O)Nc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000467841288 993073502 /nfs/dbraw/zinc/07/35/02/993073502.db2.gz YUYXBPVHNBBDCG-SFHVURJKSA-N 1 0 424.501 3.668 20 5 HHBDRO COc1cc(C[NH2+]CC2(CO)CCCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000472162528 993211417 /nfs/dbraw/zinc/21/14/17/993211417.db2.gz VNCQMURFIWZQKF-UHFFFAOYSA-N 1 0 400.475 3.825 20 5 HHBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472488066 993490105 /nfs/dbraw/zinc/49/01/05/993490105.db2.gz ORDLFTDDPLWDGP-SFHVURJKSA-N 1 0 416.909 3.783 20 5 HHBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000480725776 993593728 /nfs/dbraw/zinc/59/37/28/993593728.db2.gz FGBJGUIXBADOLW-YOEHRIQHSA-N 1 0 421.906 3.553 20 5 HHBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000480734993 993600560 /nfs/dbraw/zinc/60/05/60/993600560.db2.gz WDNFPKPTRNEXSP-HKUYNNGSSA-N 1 0 415.515 3.517 20 5 HHBDRO CC(C)C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCc2cccnc21 ZINC000481333079 994153649 /nfs/dbraw/zinc/15/36/49/994153649.db2.gz QKEARVWTSPLOLQ-HXUWFJFHSA-N 1 0 408.502 3.915 20 5 HHBDRO CC(C)C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCc2cccnc21 ZINC000481430502 994265565 /nfs/dbraw/zinc/26/55/65/994265565.db2.gz AAYWILBVHMSIQG-OAQYLSRUSA-N 1 0 408.502 3.915 20 5 HHBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000481492124 994325026 /nfs/dbraw/zinc/32/50/26/994325026.db2.gz GVPPWVNVNWOENA-YJYMSZOUSA-N 1 0 419.865 3.912 20 5 HHBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000473528700 994385783 /nfs/dbraw/zinc/38/57/83/994385783.db2.gz VYEXWAVHPXRKDN-UHFFFAOYSA-N 1 0 411.550 3.776 20 5 HHBDRO O=C(Nc1cccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1)[C@@H]1CCCO1 ZINC000481568084 994403238 /nfs/dbraw/zinc/40/32/38/994403238.db2.gz JBIQCSIKZAPSJG-IRLDBZIGSA-N 1 0 409.486 3.823 20 5 HHBDRO Cn1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000473554230 994416825 /nfs/dbraw/zinc/41/68/25/994416825.db2.gz QOWSEGILSDJVKK-UHFFFAOYSA-N 1 0 411.506 3.522 20 5 HHBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cccc1[N+](=O)[O-] ZINC000481581333 994420724 /nfs/dbraw/zinc/42/07/24/994420724.db2.gz LWPFVXRWHKLROP-INIZCTEOSA-N 1 0 405.520 3.783 20 5 HHBDRO Cc1ccccc1[C@H]([C@@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000473933434 994905974 /nfs/dbraw/zinc/90/59/74/994905974.db2.gz QUHIEARJSVPAQV-DYVFJYSZSA-N 1 0 411.911 3.526 20 5 HHBDRO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000482007388 994911946 /nfs/dbraw/zinc/91/19/46/994911946.db2.gz JRVKFNLEFGHGAL-LJQANCHMSA-N 1 0 405.458 3.747 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]CC2(c3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000473989554 994977639 /nfs/dbraw/zinc/97/76/39/994977639.db2.gz QFBLVBHBSKHMBR-UHFFFAOYSA-N 1 0 404.850 3.621 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000474348485 995328206 /nfs/dbraw/zinc/32/82/06/995328206.db2.gz MPCNGYNQNKECSW-OAHLLOKOSA-N 1 0 406.435 3.612 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC(C)(C)Cc3oc(C)cc32)cc1[N+](=O)[O-] ZINC000474355362 995335196 /nfs/dbraw/zinc/33/51/96/995335196.db2.gz ONUWMQBEOWFFCA-INIZCTEOSA-N 1 0 402.447 3.851 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000474356899 995337139 /nfs/dbraw/zinc/33/71/39/995337139.db2.gz OQBDLDYEFRUGRP-UONOGXRCSA-N 1 0 404.385 3.605 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)cc1[N+](=O)[O-] ZINC000474359119 995339223 /nfs/dbraw/zinc/33/92/23/995339223.db2.gz VLDXJUJPBLTYKI-UHFFFAOYSA-N 1 0 402.422 3.845 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000474508543 995468872 /nfs/dbraw/zinc/46/88/72/995468872.db2.gz HZLMDACQWBMREA-QZTJIDSGSA-N 1 0 422.529 3.819 20 5 HHBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000482498748 995509585 /nfs/dbraw/zinc/50/95/85/995509585.db2.gz BUSDYFHJBLKZCH-QZNHQXDQSA-N 1 0 422.485 3.730 20 5 HHBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC(C(F)(F)F)CC1 ZINC000474927199 995805968 /nfs/dbraw/zinc/80/59/68/995805968.db2.gz JQDNVDVPOSGGSU-IYXRBSQSSA-N 1 0 408.442 3.715 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000475096899 995919955 /nfs/dbraw/zinc/91/99/55/995919955.db2.gz UKBCFAZVMDQZFM-KCNFVOKTSA-N 1 0 404.511 3.999 20 5 HHBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)CC1 ZINC000475198983 995991839 /nfs/dbraw/zinc/99/18/39/995991839.db2.gz YQGICGZLLDTXHO-ZDUSSCGKSA-N 1 0 400.401 3.809 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000475354431 996086435 /nfs/dbraw/zinc/08/64/35/996086435.db2.gz RYDAULMMFQFMNM-FUHWJXTLSA-N 1 0 402.422 3.712 20 5 HHBDRO COc1cc(C[NH2+]CC2(OC)CCC(C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000475427761 996131711 /nfs/dbraw/zinc/13/17/11/996131711.db2.gz IQSQLFQTWUUIMD-UHFFFAOYSA-N 1 0 402.438 3.932 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000483423307 996168793 /nfs/dbraw/zinc/16/87/93/996168793.db2.gz SXSHIFMWARAPHG-NRFANRHFSA-N 1 0 401.438 3.735 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@](C)(OC)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475564442 996220937 /nfs/dbraw/zinc/22/09/37/996220937.db2.gz YFYJATPQLGNLQZ-QGZVFWFLSA-N 1 0 406.401 3.936 20 5 HHBDRO COC1CC[NH+](C2(CNC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CCCC2)CC1 ZINC000475579185 996229598 /nfs/dbraw/zinc/22/95/98/996229598.db2.gz GKZUFJLQXPTTFL-UHFFFAOYSA-N 1 0 404.511 3.757 20 5 HHBDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)cc1 ZINC000475641222 996270840 /nfs/dbraw/zinc/27/08/40/996270840.db2.gz TUQDIDSHJUMYNB-UHFFFAOYSA-N 1 0 412.490 3.960 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000483591226 996271571 /nfs/dbraw/zinc/27/15/71/996271571.db2.gz JRBBFDKGXLQZJS-CDXJDZJCSA-N 1 0 423.517 3.719 20 5 HHBDRO COC(=O)COc1ccc(C[N@H+](C)[C@@H](C)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000475688434 996301199 /nfs/dbraw/zinc/30/11/99/996301199.db2.gz FQQPLISXQVRJMY-AWEZNQCLSA-N 1 0 406.866 3.863 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000475716258 996319025 /nfs/dbraw/zinc/31/90/25/996319025.db2.gz PLWKVXBCNSEVCZ-LJQANCHMSA-N 1 0 413.474 3.550 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000475717985 996320979 /nfs/dbraw/zinc/32/09/79/996320979.db2.gz XFBKBSCVHKPWSY-PBHICJAKSA-N 1 0 402.422 3.664 20 5 HHBDRO Cc1c(CNC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)cccc1[N+](=O)[O-] ZINC000483813318 996404634 /nfs/dbraw/zinc/40/46/34/996404634.db2.gz CRBPAZQEBJSOEG-MRXNPFEDSA-N 1 0 424.501 3.518 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000484320640 996701076 /nfs/dbraw/zinc/70/10/76/996701076.db2.gz YANMBZXHHSQQGB-MGPUTAFESA-N 1 0 409.552 3.574 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1SC ZINC000484591756 996925068 /nfs/dbraw/zinc/92/50/68/996925068.db2.gz LQQCILCDUNKQKM-GASCZTMLSA-N 1 0 409.552 3.813 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1SC ZINC000484591758 996925181 /nfs/dbraw/zinc/92/51/81/996925181.db2.gz LQQCILCDUNKQKM-HUUCEWRRSA-N 1 0 409.552 3.813 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000484640533 996975368 /nfs/dbraw/zinc/97/53/68/996975368.db2.gz HHDJEKSMJRRAJF-AZUAARDMSA-N 1 0 413.474 3.830 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1Oc1ccccc1C ZINC000484660310 996998534 /nfs/dbraw/zinc/99/85/34/996998534.db2.gz ZNGZFSJSNHDCNB-YLJYHZDGSA-N 1 0 413.474 3.830 20 5 HHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000476734669 997285881 /nfs/dbraw/zinc/28/58/81/997285881.db2.gz DFJOLNKGAWUPNJ-XDNSSPFJSA-N 1 0 408.502 3.632 20 5 HHBDRO Cn1c(Sc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)nnc1[C@H]1CCC[NH2+]C1 ZINC000485398191 997827962 /nfs/dbraw/zinc/82/79/62/997827962.db2.gz HTAOYNMABAQZMK-ZDUSSCGKSA-N 1 0 414.466 3.543 20 5 HHBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000486081542 998528234 /nfs/dbraw/zinc/52/82/34/998528234.db2.gz QYUALNZFZNZDGN-UHFFFAOYSA-N 1 0 417.456 3.786 20 5 HHBDRO CSc1cccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1[N+](=O)[O-] ZINC000486225625 998660292 /nfs/dbraw/zinc/66/02/92/998660292.db2.gz LEHNAMAKCYWOHV-UHFFFAOYSA-N 1 0 409.577 3.798 20 5 HHBDRO CSc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000486240459 998669705 /nfs/dbraw/zinc/66/97/05/998669705.db2.gz IGGWPSGUSKFHQX-UHFFFAOYSA-N 1 0 409.458 3.799 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000478006322 998710034 /nfs/dbraw/zinc/71/00/34/998710034.db2.gz ZFVYGYXWTRHIDP-UHFFFAOYSA-N 1 0 401.463 3.885 20 5 HHBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000486333164 998716193 /nfs/dbraw/zinc/71/61/93/998716193.db2.gz HTPLLNMMVTYPJB-NQIIRXRSSA-N 1 0 409.486 3.730 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000478034237 998725585 /nfs/dbraw/zinc/72/55/85/998725585.db2.gz GGWOSKGOOBGYTD-GCJKJVERSA-N 1 0 414.550 3.677 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000478335324 998896833 /nfs/dbraw/zinc/89/68/33/998896833.db2.gz JEMWUCRPIHIKHD-GOSISDBHSA-N 1 0 402.539 3.534 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000486827346 998959132 /nfs/dbraw/zinc/95/91/32/998959132.db2.gz QVHYBSZLQCHUFF-XCGNWRKASA-N 1 0 420.473 3.858 20 5 HHBDRO Cc1c(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cccc1[N+](=O)[O-] ZINC000486851960 998973308 /nfs/dbraw/zinc/97/33/08/998973308.db2.gz WSDVVASYQFRMHE-XMSQKQJNSA-N 1 0 405.458 3.902 20 5 HHBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000487560231 999213492 /nfs/dbraw/zinc/21/34/92/999213492.db2.gz UYILRIZYZGMIHF-UHFFFAOYSA-N 1 0 410.518 3.707 20 5 HHBDRO Cc1c(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-] ZINC000478961244 999224102 /nfs/dbraw/zinc/22/41/02/999224102.db2.gz NXRCNYRCYXMCRF-MRXNPFEDSA-N 1 0 402.520 3.676 20 5 HHBDRO Cc1c(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-] ZINC000478961243 999224144 /nfs/dbraw/zinc/22/41/44/999224144.db2.gz NXRCNYRCYXMCRF-INIZCTEOSA-N 1 0 402.520 3.676 20 5 HHBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000487649708 999241807 /nfs/dbraw/zinc/24/18/07/999241807.db2.gz QPMWSQBXHABIQF-QGZVFWFLSA-N 1 0 401.532 3.974 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000487956495 999327854 /nfs/dbraw/zinc/32/78/54/999327854.db2.gz NEBPUZBQZSQUOJ-PNHOKKKMSA-N 1 0 413.474 3.766 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000488103422 999377344 /nfs/dbraw/zinc/37/73/44/999377344.db2.gz OUHAYYYLHNHRMB-FQEVSTJZSA-N 1 0 408.502 3.907 20 5 HHBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000479539614 999467467 /nfs/dbraw/zinc/46/74/67/999467467.db2.gz DQCHBWNJBNVTSQ-KZNAEPCWSA-N 1 0 416.566 3.879 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000488507102 999511547 /nfs/dbraw/zinc/51/15/47/999511547.db2.gz VWGTUZBLHVBGTP-XMSQKQJNSA-N 1 0 410.518 3.814 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccsc1 ZINC000479744035 999568027 /nfs/dbraw/zinc/56/80/27/999568027.db2.gz KHYNUUKUJLBBFZ-IBGZPJMESA-N 1 0 413.503 3.655 20 5 HHBDRO COc1cccc([C@@H]2[C@@H](NC(=O)NCc3cccc([N+](=O)[O-])c3C)CC[N@@H+]2C2CC2)c1 ZINC000479751564 999571866 /nfs/dbraw/zinc/57/18/66/999571866.db2.gz TXSSWLAKZFZZMJ-RBBKRZOGSA-N 1 0 424.501 3.689 20 5 HHBDRO COC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)cc1 ZINC000488696089 999577035 /nfs/dbraw/zinc/57/70/35/999577035.db2.gz JBXVGQKMXRBJJM-KRWDZBQOSA-N 1 0 407.854 3.563 20 5 HHBDRO COC[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000488743385 999595302 /nfs/dbraw/zinc/59/53/02/999595302.db2.gz AAMTVVBMLKETSJ-MRXNPFEDSA-N 1 0 405.838 3.524 20 5 HHBDRO C[NH+](C)CCCOc1ccc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000488826270 999619839 /nfs/dbraw/zinc/61/98/39/999619839.db2.gz ZKRCEVACABIDRB-UHFFFAOYSA-N 1 0 414.506 3.660 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)C1CC1 ZINC000479851267 999624861 /nfs/dbraw/zinc/62/48/61/999624861.db2.gz MPHWWAKPWWFJEX-UYAOXDASSA-N 1 0 401.532 3.641 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)c([N+](=O)[O-])cc1O ZINC000479877668 999633483 /nfs/dbraw/zinc/63/34/83/999633483.db2.gz WYPYFGVUADPHST-CYBMUJFWSA-N 1 0 411.380 3.696 20 5 HHBDRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc([N+](=O)[O-])c1C ZINC000479937358 999655205 /nfs/dbraw/zinc/65/52/05/999655205.db2.gz CIOOQKZACMJZQL-OAHLLOKOSA-N 1 0 403.504 3.615 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000489036836 999678592 /nfs/dbraw/zinc/67/85/92/999678592.db2.gz NZYABOHVZFXVGR-ZYSHUDEJSA-N 1 0 421.563 3.667 20 5 HHBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc([N+](=O)[O-])c1C ZINC000480010470 999684951 /nfs/dbraw/zinc/68/49/51/999684951.db2.gz DQNXKYDYELCDSA-LIRRHRJNSA-N 1 0 403.504 3.786 20 5 HHBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000480065285 999706990 /nfs/dbraw/zinc/70/69/90/999706990.db2.gz WTTKSQPCFKFMIO-UHFFFAOYSA-N 1 0 401.511 3.603 20 5 HHBDRO Cc1ccc([C@@H](C)NC(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1[N+](=O)[O-] ZINC000489292961 999738729 /nfs/dbraw/zinc/73/87/29/999738729.db2.gz FLYYLQOVWPYGQP-MRXNPFEDSA-N 1 0 406.552 3.625 20 5 HHBDRO CCCC[N@H+](C)CC1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000480415566 999793350 /nfs/dbraw/zinc/79/33/50/999793350.db2.gz GRNMLYMPITVIQR-UHFFFAOYSA-N 1 0 413.522 3.508 20 5 HHBDRO C[C@H](O)[C@@](C)(C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000480460349 999804159 /nfs/dbraw/zinc/80/41/59/999804159.db2.gz KGALBVUAPUSULH-GAJHUEQPSA-N 1 0 408.502 3.715 20 5 HHBDRO CC[C@@H](NC(=O)N1CCC(OCC[NH+](CC)CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000489943978 999867395 /nfs/dbraw/zinc/86/73/95/999867395.db2.gz CWXGYQWJBKCDFQ-HXUWFJFHSA-N 1 0 406.527 3.578 20 5 HHBDRO CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000489978604 999872221 /nfs/dbraw/zinc/87/22/21/999872221.db2.gz DWPBZCZQVFGEDU-UHFFFAOYSA-N 1 0 419.485 3.517 20 5 HHBDRO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490343252 999940925 /nfs/dbraw/zinc/94/09/25/999940925.db2.gz WWXDFEHDKUGVMK-CVEARBPZSA-N 1 0 413.465 3.694 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000490405103 999952483 /nfs/dbraw/zinc/95/24/83/999952483.db2.gz VPAGBSGLVHUUDE-RHSMWYFYSA-N 1 0 407.312 3.945 20 5 HHBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c2ccccc2)c1 ZINC000491008012 1000033576 /nfs/dbraw/zinc/03/35/76/1000033576.db2.gz OZTGRODRRRIJJD-AVRDEDQJSA-N 1 0 414.408 3.992 20 5 HHBDRO COc1cc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491128902 1000048164 /nfs/dbraw/zinc/04/81/64/1000048164.db2.gz BJZQZHDNBQMFFD-MRXNPFEDSA-N 1 0 413.465 3.698 20 5 HHBDRO COc1cc(CN2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491169181 1000051839 /nfs/dbraw/zinc/05/18/39/1000051839.db2.gz VELNFRDUADCDGP-UHFFFAOYSA-N 1 0 413.465 3.698 20 5 HHBDRO C[N@H+](CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Cc1ccc(F)cc1 ZINC000491331456 1000065740 /nfs/dbraw/zinc/06/57/40/1000065740.db2.gz GFTCVMAMDMDTFS-UHFFFAOYSA-N 1 0 400.454 3.540 20 5 HHBDRO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491344272 1000066776 /nfs/dbraw/zinc/06/67/76/1000066776.db2.gz YIZBCUGQJQCELZ-HXUWFJFHSA-N 1 0 422.485 3.529 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000492078476 1000108594 /nfs/dbraw/zinc/10/85/94/1000108594.db2.gz GGKKVWNRAOWTSS-KRWDZBQOSA-N 1 0 410.396 3.716 20 5 HHBDRO COc1cc(N[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3)C2)cc(OC)c1 ZINC000492727163 1000141528 /nfs/dbraw/zinc/14/15/28/1000141528.db2.gz GLCPNCADJGUZDL-MRXNPFEDSA-N 1 0 401.463 3.697 20 5 HHBDRO CC[C@H](NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000493133456 1000159135 /nfs/dbraw/zinc/15/91/35/1000159135.db2.gz PMDUXGRAHRAEGD-LZJOCLMNSA-N 1 0 418.538 3.577 20 5 HHBDRO COc1ccc([C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[NH+]2CCCC2)cc1 ZINC000493667003 1000183902 /nfs/dbraw/zinc/18/39/02/1000183902.db2.gz PVYAOLKSGYENHM-FQEVSTJZSA-N 1 0 408.458 3.652 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000493924066 1000216670 /nfs/dbraw/zinc/21/66/70/1000216670.db2.gz GLXWVKRJSCQJPS-WILYLXEWSA-N 1 0 405.401 3.628 20 5 HHBDRO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000494020224 1000271822 /nfs/dbraw/zinc/27/18/22/1000271822.db2.gz XUCMEQSPMUBVHG-ACJLOTCBSA-N 1 0 418.291 3.750 20 5 HHBDRO Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000494070983 1000294785 /nfs/dbraw/zinc/29/47/85/1000294785.db2.gz ZNYVSTBQKYXJEI-KRWDZBQOSA-N 1 0 424.501 3.705 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000504899804 1000435741 /nfs/dbraw/zinc/43/57/41/1000435741.db2.gz MLFPVYURJKUGNL-UGKGYDQZSA-N 1 0 415.559 3.692 20 5 HHBDRO O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494342731 1000442390 /nfs/dbraw/zinc/44/23/90/1000442390.db2.gz BXRQWJDVULMBBX-UHFFFAOYSA-N 1 0 423.513 3.604 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCC(C(=O)N3CCSCC3)CC2)cc1[N+](=O)[O-] ZINC000504927673 1000452743 /nfs/dbraw/zinc/45/27/43/1000452743.db2.gz SIDINFRMZHHIOF-KLHKWILBSA-N 1 0 421.563 3.778 20 5 HHBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494424731 1000485477 /nfs/dbraw/zinc/48/54/77/1000485477.db2.gz JOTILRKPPBBJDI-HXUWFJFHSA-N 1 0 408.502 3.933 20 5 HHBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494495178 1000523340 /nfs/dbraw/zinc/52/33/40/1000523340.db2.gz MKZPJCSEPWVLNK-PDSMFRHLSA-N 1 0 407.829 3.834 20 5 HHBDRO O=C(C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494500685 1000527361 /nfs/dbraw/zinc/52/73/61/1000527361.db2.gz FMCJKCRAGLQLQL-SJLPKXTDSA-N 1 0 410.257 3.960 20 5 HHBDRO COc1cc(C[NH2+]CCc2cccc(F)c2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000494694508 1000607566 /nfs/dbraw/zinc/60/75/66/1000607566.db2.gz AFSORWHSOOLCML-UHFFFAOYSA-N 1 0 402.344 3.858 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000495132711 1000872951 /nfs/dbraw/zinc/87/29/51/1000872951.db2.gz ZOOAYVPECICXBL-WIYYLYMNSA-N 1 0 409.486 3.730 20 5 HHBDRO COCC[N@H+](C)CC[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccccc1 ZINC000505564995 1000907942 /nfs/dbraw/zinc/90/79/42/1000907942.db2.gz RWLUHQMCZADOSD-GOSISDBHSA-N 1 0 412.490 3.601 20 5 HHBDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000495428331 1001009561 /nfs/dbraw/zinc/00/95/61/1001009561.db2.gz WRHGLQNFTCBZNQ-CYBMUJFWSA-N 1 0 411.911 3.903 20 5 HHBDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000495434414 1001011654 /nfs/dbraw/zinc/01/16/54/1001011654.db2.gz RQQKZAXMCMEKGJ-CYBMUJFWSA-N 1 0 421.881 3.815 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000505930414 1001109055 /nfs/dbraw/zinc/10/90/55/1001109055.db2.gz NWDPHJJGMKFUQL-DLBZAZTESA-N 1 0 400.523 3.896 20 5 HHBDRO Cc1ccccc1C[NH+]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000506085408 1001211100 /nfs/dbraw/zinc/21/11/00/1001211100.db2.gz JYTQVOSTCVLBQM-UHFFFAOYSA-N 1 0 405.502 3.622 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000506376541 1001386477 /nfs/dbraw/zinc/38/64/77/1001386477.db2.gz FJNVVVUBYWGNAR-HZPDHXFCSA-N 1 0 412.490 3.575 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000506452279 1001419520 /nfs/dbraw/zinc/41/95/20/1001419520.db2.gz QYHDITHDPAIXEB-WMLDXEAASA-N 1 0 421.881 3.870 20 5 HHBDRO COc1cc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000506464827 1001425092 /nfs/dbraw/zinc/42/50/92/1001425092.db2.gz DIVVJMHQNPMLTP-QGZVFWFLSA-N 1 0 421.444 3.911 20 5 HHBDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1 ZINC000497779779 1001512144 /nfs/dbraw/zinc/51/21/44/1001512144.db2.gz JHOGMJGQBJTWCI-UHFFFAOYSA-N 1 0 405.520 3.532 20 5 HHBDRO CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1COc2ccccc2O1 ZINC000506806524 1001540400 /nfs/dbraw/zinc/54/04/00/1001540400.db2.gz QQZDGLUNCAELFR-IBGZPJMESA-N 1 0 408.458 3.657 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cccc(OC)c1 ZINC000497895711 1001554800 /nfs/dbraw/zinc/55/48/00/1001554800.db2.gz NCJQSYHKKAQDBX-OAQYLSRUSA-N 1 0 422.485 3.965 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000497930150 1001569017 /nfs/dbraw/zinc/56/90/17/1001569017.db2.gz MUVLTQBNPAAHDB-UHFFFAOYSA-N 1 0 410.518 3.544 20 5 HHBDRO CCCCCNC(=O)C1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000506864312 1001571166 /nfs/dbraw/zinc/57/11/66/1001571166.db2.gz IWHRIMBFAKBUKK-UHFFFAOYSA-N 1 0 413.522 3.514 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000497981854 1001589473 /nfs/dbraw/zinc/58/94/73/1001589473.db2.gz FGRZVEINWOKWFZ-QAPCUYQASA-N 1 0 421.494 3.580 20 5 HHBDRO CN1CCO[C@H]([C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000498352939 1001790800 /nfs/dbraw/zinc/79/08/00/1001790800.db2.gz JLYKACSNTWUCMK-UNDPWIFGSA-N 1 0 401.894 3.923 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498457104 1001884959 /nfs/dbraw/zinc/88/49/59/1001884959.db2.gz KOPIJRAFVLCAJX-UHFFFAOYSA-N 1 0 400.479 3.503 20 5 HHBDRO CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498466998 1001894923 /nfs/dbraw/zinc/89/49/23/1001894923.db2.gz QETHPUZEBBMBOJ-IBGZPJMESA-N 1 0 416.909 3.707 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498477975 1001905411 /nfs/dbraw/zinc/90/54/11/1001905411.db2.gz RGKPUUJHGHABOM-UHFFFAOYSA-N 1 0 422.888 3.703 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507292319 1001976435 /nfs/dbraw/zinc/97/64/35/1001976435.db2.gz QYMWJMULFVZSBQ-HXUWFJFHSA-N 1 0 423.513 3.562 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000507381717 1002037366 /nfs/dbraw/zinc/03/73/66/1002037366.db2.gz TYIHBOCODYYFQE-UHFFFAOYSA-N 1 0 400.479 3.687 20 5 HHBDRO CNC(=O)C1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000507914436 1002449360 /nfs/dbraw/zinc/44/93/60/1002449360.db2.gz QDFXCGRVDOODMR-UHFFFAOYSA-N 1 0 401.438 3.921 20 5 HHBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000508645474 1003093144 /nfs/dbraw/zinc/09/31/44/1003093144.db2.gz NLQMARMYQPGTPC-VXGBXAGGSA-N 1 0 422.279 3.703 20 5 HHBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000508739741 1003177948 /nfs/dbraw/zinc/17/79/48/1003177948.db2.gz FEAGTNHAQOWVFV-OTWHNJEPSA-N 1 0 405.542 3.637 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000499996050 1003313017 /nfs/dbraw/zinc/31/30/17/1003313017.db2.gz QHTLYWAHNPURDX-HDICACEKSA-N 1 0 416.566 3.523 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000500014396 1003340622 /nfs/dbraw/zinc/34/06/22/1003340622.db2.gz ACMUVNPRJUABOK-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000500098989 1003460954 /nfs/dbraw/zinc/46/09/54/1003460954.db2.gz AQANHUJOKGMAMK-UHFFFAOYSA-N 1 0 418.497 3.999 20 5 HHBDRO COc1cccc(C2(F)CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000500152103 1003508463 /nfs/dbraw/zinc/50/84/63/1003508463.db2.gz HRXDBSKQVLDUFY-UHFFFAOYSA-N 1 0 401.438 3.893 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccc(CNc3ncnc4cccc([N+](=O)[O-])c43)cc2)C[C@H](C)O1 ZINC000509054802 1003519488 /nfs/dbraw/zinc/51/94/88/1003519488.db2.gz RMACKHQWDTXLMP-HOTGVXAUSA-N 1 0 407.474 3.759 20 5 HHBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC000500404058 1003695502 /nfs/dbraw/zinc/69/55/02/1003695502.db2.gz CCPWLTZEEBYFGT-IBGZPJMESA-N 1 0 403.866 3.824 20 5 HHBDRO Cc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000511839971 1003817468 /nfs/dbraw/zinc/81/74/68/1003817468.db2.gz DIGOPMSKTNTPPZ-INIZCTEOSA-N 1 0 407.392 3.926 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511844600 1003822590 /nfs/dbraw/zinc/82/25/90/1003822590.db2.gz SZTXWFQQBFZLBM-MRXNPFEDSA-N 1 0 407.392 3.926 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000509441090 1003863120 /nfs/dbraw/zinc/86/31/20/1003863120.db2.gz VBJGALYNUSMVQG-QGZVFWFLSA-N 1 0 413.543 3.899 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2nnnn2-c2ccccc2)s1 ZINC000509443735 1003864676 /nfs/dbraw/zinc/86/46/76/1003864676.db2.gz GCHKAWMIWMRMFQ-UHFFFAOYSA-N 1 0 406.471 3.631 20 5 HHBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000500759137 1003941038 /nfs/dbraw/zinc/94/10/38/1003941038.db2.gz XEZIMZVGGUWKDC-UHFFFAOYSA-N 1 0 424.526 3.984 20 5 HHBDRO CCCOc1cc(NC(=O)N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])cc1OCCC ZINC000509683567 1004027399 /nfs/dbraw/zinc/02/73/99/1004027399.db2.gz SYCISNCHVKWNPR-UHFFFAOYSA-N 1 0 422.526 3.978 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000512126552 1004041618 /nfs/dbraw/zinc/04/16/18/1004041618.db2.gz BLQYAUUXIUFGSP-JKSUJKDBSA-N 1 0 409.490 3.543 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000512126551 1004041773 /nfs/dbraw/zinc/04/17/73/1004041773.db2.gz BLQYAUUXIUFGSP-HZPDHXFCSA-N 1 0 409.490 3.543 20 5 HHBDRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000512195396 1004096538 /nfs/dbraw/zinc/09/65/38/1004096538.db2.gz MYVIPUCVQYKLLI-AWEZNQCLSA-N 1 0 415.471 3.695 20 5 HHBDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501009548 1004114226 /nfs/dbraw/zinc/11/42/26/1004114226.db2.gz CQGMQTSVZVZKIM-QGZVFWFLSA-N 1 0 407.474 3.746 20 5 HHBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512294483 1004197832 /nfs/dbraw/zinc/19/78/32/1004197832.db2.gz XWLPHJOBAOBTNA-WZONZLPQSA-N 1 0 408.502 3.520 20 5 HHBDRO COc1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000512296351 1004199537 /nfs/dbraw/zinc/19/95/37/1004199537.db2.gz XWZVFIQFMWVFGS-OAHLLOKOSA-N 1 0 417.428 3.605 20 5 HHBDRO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000509963287 1004234617 /nfs/dbraw/zinc/23/46/17/1004234617.db2.gz KTUQXMQHFRGIKX-KRWDZBQOSA-N 1 0 421.453 3.624 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000509992953 1004251837 /nfs/dbraw/zinc/25/18/37/1004251837.db2.gz CNHFJLQSLBXVDN-HNNXBMFYSA-N 1 0 410.312 3.756 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]CCn2ccc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000512582842 1004399728 /nfs/dbraw/zinc/39/97/28/1004399728.db2.gz OZNUDHZZAUXSSN-UHFFFAOYSA-N 1 0 417.849 3.545 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000510247706 1004423302 /nfs/dbraw/zinc/42/33/02/1004423302.db2.gz ZKKAUHDVRXIPKJ-UHFFFAOYSA-N 1 0 410.518 3.828 20 5 HHBDRO CCCCCC(=O)NC1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000512618135 1004431236 /nfs/dbraw/zinc/43/12/36/1004431236.db2.gz QDRPHNKQWCIYPY-UHFFFAOYSA-N 1 0 413.522 3.656 20 5 HHBDRO COc1ccc(CNC(=O)C2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000512662752 1004472810 /nfs/dbraw/zinc/47/28/10/1004472810.db2.gz ACSOOWNMMVZVFL-GQCTYLIASA-N 1 0 409.486 3.645 20 5 HHBDRO CCOc1cc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000501534223 1004497441 /nfs/dbraw/zinc/49/74/41/1004497441.db2.gz KWGPPVYHDBETDQ-CABCVRRESA-N 1 0 408.499 3.777 20 5 HHBDRO C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512693959 1004499319 /nfs/dbraw/zinc/49/93/19/1004499319.db2.gz LUYBDPPJFGCJAI-AEFFLSMTSA-N 1 0 400.523 3.922 20 5 HHBDRO CCOc1cc(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000510412012 1004547380 /nfs/dbraw/zinc/54/73/80/1004547380.db2.gz JMHROAXPZXBJHK-GJZGRUSLSA-N 1 0 408.499 3.634 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000512779627 1004555563 /nfs/dbraw/zinc/55/55/63/1004555563.db2.gz RZMQMLSFCONMLO-HUUCEWRRSA-N 1 0 423.560 3.613 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000512779626 1004555642 /nfs/dbraw/zinc/55/56/42/1004555642.db2.gz RZMQMLSFCONMLO-GASCZTMLSA-N 1 0 423.560 3.613 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1[N+](=O)[O-] ZINC000512837929 1004597573 /nfs/dbraw/zinc/59/75/73/1004597573.db2.gz DNDCYSCSBCBTNQ-IBGZPJMESA-N 1 0 418.501 3.911 20 5 HHBDRO CCOc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000510526522 1004655950 /nfs/dbraw/zinc/65/59/50/1004655950.db2.gz PNUUCVUNRZABHL-YCRPNKLZSA-N 1 0 415.490 3.732 20 5 HHBDRO COc1cc(C[NH2+]C[C@H]2CCOC[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000512893161 1004659818 /nfs/dbraw/zinc/65/98/18/1004659818.db2.gz APJURNLOENJOKH-SJLPKXTDSA-N 1 0 400.475 3.945 20 5 HHBDRO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000501743814 1004671244 /nfs/dbraw/zinc/67/12/44/1004671244.db2.gz RANQRBLUKSHJGN-SFHVURJKSA-N 1 0 405.458 3.950 20 5 HHBDRO COc1cc(C[NH2+]CC2(C(F)(F)F)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000512914367 1004684715 /nfs/dbraw/zinc/68/47/15/1004684715.db2.gz ZZVIINUAKYIOHJ-UHFFFAOYSA-N 1 0 402.291 3.977 20 5 HHBDRO C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501850510 1004775365 /nfs/dbraw/zinc/77/53/65/1004775365.db2.gz LDWKBDTZZGVGJQ-QGZVFWFLSA-N 1 0 419.485 3.682 20 5 HHBDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)s1 ZINC000513065631 1004787551 /nfs/dbraw/zinc/78/75/51/1004787551.db2.gz XCVQTBPNLJNOTL-STQMWFEESA-N 1 0 405.524 3.885 20 5 HHBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000513164702 1004840067 /nfs/dbraw/zinc/84/00/67/1004840067.db2.gz JACVPHMIGAJBGA-UHFFFAOYSA-N 1 0 403.486 3.924 20 5 HHBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510955216 1004952534 /nfs/dbraw/zinc/95/25/34/1004952534.db2.gz WKTRVUPYAOPEIL-JHJVBQTASA-N 1 0 400.426 3.684 20 5 HHBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000511096105 1005017404 /nfs/dbraw/zinc/01/74/04/1005017404.db2.gz QRKUWGZZPPEJMB-MAUKXSAKSA-N 1 0 421.906 3.553 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511127608 1005033363 /nfs/dbraw/zinc/03/33/63/1005033363.db2.gz WITVHGQMRFVPTD-IERDGZPVSA-N 1 0 406.429 3.896 20 5 HHBDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000511162912 1005052787 /nfs/dbraw/zinc/05/27/87/1005052787.db2.gz YJDMCGQWMDKNNI-UHFFFAOYSA-N 1 0 418.881 3.572 20 5 HHBDRO C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511285125 1005107665 /nfs/dbraw/zinc/10/76/65/1005107665.db2.gz FUNAAZVVFNGHKP-SJLPKXTDSA-N 1 0 400.523 3.578 20 5 HHBDRO C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511285124 1005107755 /nfs/dbraw/zinc/10/77/55/1005107755.db2.gz FUNAAZVVFNGHKP-FUHWJXTLSA-N 1 0 400.523 3.578 20 5 HHBDRO Cn1ccnc1[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000513758671 1005112608 /nfs/dbraw/zinc/11/26/08/1005112608.db2.gz BAPDUHMLQKOBCF-JOCHJYFZSA-N 1 0 405.502 3.803 20 5 HHBDRO O=C(C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000502559720 1005118426 /nfs/dbraw/zinc/11/84/26/1005118426.db2.gz NTYVZXPIWMDVAB-IBGZPJMESA-N 1 0 424.284 3.832 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000513786944 1005126700 /nfs/dbraw/zinc/12/67/00/1005126700.db2.gz PZYVDEQTQVQNBW-MRXNPFEDSA-N 1 0 406.866 3.531 20 5 HHBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000502625851 1005147467 /nfs/dbraw/zinc/14/74/67/1005147467.db2.gz MWJKWIMHSKVYSD-HDICACEKSA-N 1 0 416.566 3.927 20 5 HHBDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000511495751 1005200656 /nfs/dbraw/zinc/20/06/56/1005200656.db2.gz SMGHUJHJZSVGJS-RDJZCZTQSA-N 1 0 417.531 3.686 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCCC23CCOCC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000502862446 1005248239 /nfs/dbraw/zinc/24/82/39/1005248239.db2.gz NGMOFDNMCQRJPC-KRWDZBQOSA-N 1 0 400.422 3.686 20 5 HHBDRO C[N@H+](CCN1CCOCC1)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000514087315 1005259537 /nfs/dbraw/zinc/25/95/37/1005259537.db2.gz GNRQSNRXZPSAHG-UHFFFAOYSA-N 1 0 405.882 3.805 20 5 HHBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc([N+](=O)[O-])c1C ZINC000511739859 1005301270 /nfs/dbraw/zinc/30/12/70/1005301270.db2.gz DXCGDCDDVXZRFV-OAQYLSRUSA-N 1 0 411.502 3.942 20 5 HHBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511771771 1005318048 /nfs/dbraw/zinc/31/80/48/1005318048.db2.gz PAWRURMLHFIQDM-XZOQPEGZSA-N 1 0 415.493 3.922 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000511775521 1005320514 /nfs/dbraw/zinc/32/05/14/1005320514.db2.gz HMOZODGTWNLKAB-RZUBCFFCSA-N 1 0 409.486 3.736 20 5 HHBDRO CCCOc1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])cc1OCCC ZINC000503698125 1005482634 /nfs/dbraw/zinc/48/26/34/1005482634.db2.gz HQSRMLQFLDYVJY-NVXWUHKLSA-N 1 0 420.510 3.921 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000503940603 1005516076 /nfs/dbraw/zinc/51/60/76/1005516076.db2.gz AZLAZVFIWJGGHZ-DYESRHJHSA-N 1 0 420.469 3.505 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1c1ccccc1 ZINC000534020902 1005991891 /nfs/dbraw/zinc/99/18/91/1005991891.db2.gz YGHRQIWZLFVPFN-MJGOQNOKSA-N 1 0 408.483 3.894 20 5 HHBDRO COc1ccc(C[C@@H](C)C[N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000534173903 1006158046 /nfs/dbraw/zinc/15/80/46/1006158046.db2.gz VGMGRMQVZVKTEY-MRXNPFEDSA-N 1 0 413.474 3.712 20 5 HHBDRO COCc1cccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000514894390 1006192817 /nfs/dbraw/zinc/19/28/17/1006192817.db2.gz OUGNNYVOAGOXDG-UHFFFAOYSA-N 1 0 412.227 3.636 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531489245 1006227751 /nfs/dbraw/zinc/22/77/51/1006227751.db2.gz KKJIZBITKBYRLW-ZJSXRUAMSA-N 1 0 420.465 3.930 20 5 HHBDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccccc1 ZINC000534248104 1006254691 /nfs/dbraw/zinc/25/46/91/1006254691.db2.gz OAVZXBRKSZPHOB-GOSISDBHSA-N 1 0 410.474 3.516 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534257419 1006265852 /nfs/dbraw/zinc/26/58/52/1006265852.db2.gz QGUAUKVVAUTPFX-HZPDHXFCSA-N 1 0 406.486 3.963 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000534477835 1006468485 /nfs/dbraw/zinc/46/84/85/1006468485.db2.gz POGSDZFMOZPBDG-UHFFFAOYSA-N 1 0 401.463 3.851 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000531882266 1006496705 /nfs/dbraw/zinc/49/67/05/1006496705.db2.gz ZCQXMQWZZPCXPQ-KDOFPFPSSA-N 1 0 422.407 3.822 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000531882268 1006496882 /nfs/dbraw/zinc/49/68/82/1006496882.db2.gz ZCQXMQWZZPCXPQ-RDTXWAMCSA-N 1 0 422.407 3.822 20 5 HHBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000515523344 1006513187 /nfs/dbraw/zinc/51/31/87/1006513187.db2.gz STUVMDXJEWRFNT-KGLIPLIRSA-N 1 0 411.462 3.557 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3N3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000531916488 1006518332 /nfs/dbraw/zinc/51/83/32/1006518332.db2.gz XTOZYVLEKZSJLM-UXHICEINSA-N 1 0 415.490 3.596 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1 ZINC000531951867 1006541516 /nfs/dbraw/zinc/54/15/16/1006541516.db2.gz YLSXTMYBCRAWLX-MRXNPFEDSA-N 1 0 405.520 3.582 20 5 HHBDRO C[C@@H]1C[C@H](CCNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[N@@H+]1Cc1ccccc1 ZINC000534573509 1006563573 /nfs/dbraw/zinc/56/35/73/1006563573.db2.gz NWONUPPNVZRJGV-QUCCMNQESA-N 1 0 422.529 3.963 20 5 HHBDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000515753125 1006642135 /nfs/dbraw/zinc/64/21/35/1006642135.db2.gz WPMXTEJRZXOYTJ-UHFFFAOYSA-N 1 0 405.520 3.532 20 5 HHBDRO Cn1cc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538420281 1006688463 /nfs/dbraw/zinc/68/84/63/1006688463.db2.gz LOLGRQRDXDQIEP-MRXNPFEDSA-N 1 0 413.428 3.642 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC000538429725 1006694855 /nfs/dbraw/zinc/69/48/55/1006694855.db2.gz FORJQVVBXKOMMV-UHFFFAOYSA-N 1 0 423.513 3.721 20 5 HHBDRO COc1ccc(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000532238038 1006741970 /nfs/dbraw/zinc/74/19/70/1006741970.db2.gz DWKMFOHCMYFRQB-RTWAWAEBSA-N 1 0 423.513 3.659 20 5 HHBDRO Cc1nc(-c2ccc(C[NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cs1 ZINC000516111234 1006888885 /nfs/dbraw/zinc/88/88/85/1006888885.db2.gz NSCPOKVGUOSYAD-UHFFFAOYSA-N 1 0 417.512 3.590 20 5 HHBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538723702 1007000194 /nfs/dbraw/zinc/00/01/94/1007000194.db2.gz UEJGSZNFXMXKHS-QFIPXVFZSA-N 1 0 414.458 3.567 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000538726438 1007004962 /nfs/dbraw/zinc/00/49/62/1007004962.db2.gz RSWDFLGWMXNWOZ-QFBILLFUSA-N 1 0 400.475 3.918 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000532578851 1007011542 /nfs/dbraw/zinc/01/15/42/1007011542.db2.gz YCUGYCMPWNVIFC-UHFFFAOYSA-N 1 0 419.522 3.993 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000516325803 1007016445 /nfs/dbraw/zinc/01/64/45/1007016445.db2.gz KFEKMYNPQCZKAI-SFHVURJKSA-N 1 0 411.502 3.912 20 5 HHBDRO O=C(CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000534965046 1007016570 /nfs/dbraw/zinc/01/65/70/1007016570.db2.gz JRSUMZXKODYHQP-UHFFFAOYSA-N 1 0 408.502 3.521 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534984673 1007043189 /nfs/dbraw/zinc/04/31/89/1007043189.db2.gz LVVSDLJCMXTDSC-UHFFFAOYSA-N 1 0 410.474 3.727 20 5 HHBDRO C[C@@H]1C[C@H](CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000538764636 1007050141 /nfs/dbraw/zinc/05/01/41/1007050141.db2.gz RAJXZSLKTDHFSJ-ZBFHGGJFSA-N 1 0 423.560 3.772 20 5 HHBDRO COc1ccccc1-c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000535072372 1007091438 /nfs/dbraw/zinc/09/14/38/1007091438.db2.gz OVKUVPOAWGIFRF-UHFFFAOYSA-N 1 0 404.470 3.988 20 5 HHBDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCn3cc([N+](=O)[O-])ccc3=O)s2)cc1 ZINC000516513495 1007123139 /nfs/dbraw/zinc/12/31/39/1007123139.db2.gz XSBRAMGSQWFLCP-CYBMUJFWSA-N 1 0 414.487 3.548 20 5 HHBDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCn3cc([N+](=O)[O-])ccc3=O)s2)cc1 ZINC000516513497 1007123408 /nfs/dbraw/zinc/12/34/08/1007123408.db2.gz XSBRAMGSQWFLCP-ZDUSSCGKSA-N 1 0 414.487 3.548 20 5 HHBDRO CCOc1ccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000538874301 1007153549 /nfs/dbraw/zinc/15/35/49/1007153549.db2.gz BYOQKVPWYFCKLD-UHFFFAOYSA-N 1 0 412.490 3.767 20 5 HHBDRO CC[N@H+](CCC1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)CC1CC1 ZINC000538947413 1007233356 /nfs/dbraw/zinc/23/33/56/1007233356.db2.gz BZZKOEMAQDBSTJ-UHFFFAOYSA-N 1 0 413.522 3.979 20 5 HHBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000516754703 1007274928 /nfs/dbraw/zinc/27/49/28/1007274928.db2.gz XMIQZFPZJNTRGM-LJQANCHMSA-N 1 0 417.893 3.970 20 5 HHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000516771221 1007282280 /nfs/dbraw/zinc/28/22/80/1007282280.db2.gz ACRDYVJRRGBPTK-UHFFFAOYSA-N 1 0 413.521 3.923 20 5 HHBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000538996508 1007291634 /nfs/dbraw/zinc/29/16/34/1007291634.db2.gz AMNINIUHADHNEN-UHFFFAOYSA-N 1 0 408.380 3.655 20 5 HHBDRO Cn1cc([C@H](CO)NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cn1 ZINC000535248561 1007300502 /nfs/dbraw/zinc/30/05/02/1007300502.db2.gz WIJBXLJZWXTZFG-INIZCTEOSA-N 1 0 402.838 3.597 20 5 HHBDRO Cc1occc1C(=O)NC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532941524 1007311961 /nfs/dbraw/zinc/31/19/61/1007311961.db2.gz QABPEOKRUMLJDY-UHFFFAOYSA-N 1 0 424.457 3.588 20 5 HHBDRO CC(C)n1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000535271304 1007321504 /nfs/dbraw/zinc/32/15/04/1007321504.db2.gz QEZYNJWJCUVFOE-HOCLYGCPSA-N 1 0 411.466 3.758 20 5 HHBDRO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539042286 1007339981 /nfs/dbraw/zinc/33/99/81/1007339981.db2.gz YOONNMRLUVYZLG-ZDUSSCGKSA-N 1 0 411.549 3.692 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000532974841 1007345280 /nfs/dbraw/zinc/34/52/80/1007345280.db2.gz FOZXTMGIAUMSAK-UHFFFAOYSA-N 1 0 413.474 3.784 20 5 HHBDRO Cc1ccccc1C1CC([N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C2CC2)C1 ZINC000532979164 1007349690 /nfs/dbraw/zinc/34/96/90/1007349690.db2.gz SALWYHLAHDTBDE-UHFFFAOYSA-N 1 0 423.469 3.981 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000539056567 1007352125 /nfs/dbraw/zinc/35/21/25/1007352125.db2.gz PTPVJJOCWFVLGK-ZIAGYGMSSA-N 1 0 409.280 3.756 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000539077300 1007369448 /nfs/dbraw/zinc/36/94/48/1007369448.db2.gz AERJWBFTCKXORI-KRWDZBQOSA-N 1 0 417.531 3.655 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)nc1 ZINC000533058805 1007421421 /nfs/dbraw/zinc/42/14/21/1007421421.db2.gz OABUZFWLBZYJGR-SFHVURJKSA-N 1 0 414.469 3.991 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000535375727 1007437293 /nfs/dbraw/zinc/43/72/93/1007437293.db2.gz XIUOJOAVBAIYOL-DYVFJYSZSA-N 1 0 419.865 3.737 20 5 HHBDRO CCCOc1ccc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000539252816 1007546310 /nfs/dbraw/zinc/54/63/10/1007546310.db2.gz OGRBIBJHYTWBFM-OAHLLOKOSA-N 1 0 401.463 3.706 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000533234068 1007555818 /nfs/dbraw/zinc/55/58/18/1007555818.db2.gz XMQOAFLSTKIKNG-MRXNPFEDSA-N 1 0 417.487 3.636 20 5 HHBDRO COc1ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535532749 1007579498 /nfs/dbraw/zinc/57/94/98/1007579498.db2.gz KKDSFBSKAYQKKV-SFHVURJKSA-N 1 0 414.380 3.585 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000533299011 1007614899 /nfs/dbraw/zinc/61/48/99/1007614899.db2.gz CXYBASRUTDXHFK-UHFFFAOYSA-N 1 0 401.438 3.914 20 5 HHBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000517450098 1007672934 /nfs/dbraw/zinc/67/29/34/1007672934.db2.gz KLODTFAKWDSFLN-UHFFFAOYSA-N 1 0 403.479 3.607 20 5 HHBDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000533365473 1007673378 /nfs/dbraw/zinc/67/33/78/1007673378.db2.gz BGQUWNUQIOXZOU-SFHVURJKSA-N 1 0 412.490 3.816 20 5 HHBDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535678589 1007705193 /nfs/dbraw/zinc/70/51/93/1007705193.db2.gz BPPVZEADMCCUPJ-UHFFFAOYSA-N 1 0 419.485 3.860 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000533435446 1007749533 /nfs/dbraw/zinc/74/95/33/1007749533.db2.gz BFJNKJHPQNDLIP-UHFFFAOYSA-N 1 0 401.438 3.983 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCc3cc(Cl)c4c(c3)OCCCO4)C2)nc1 ZINC000539450046 1007761388 /nfs/dbraw/zinc/76/13/88/1007761388.db2.gz GCTYWHVHGMSWMB-OAHLLOKOSA-N 1 0 418.881 3.533 20 5 HHBDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C/C=C\c3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000539475481 1007786910 /nfs/dbraw/zinc/78/69/10/1007786910.db2.gz RKLNYFYDUDLZHA-ITQAEIPNSA-N 1 0 409.486 3.647 20 5 HHBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535815053 1007826845 /nfs/dbraw/zinc/82/68/45/1007826845.db2.gz RYSQSKWSGDKESJ-UHFFFAOYSA-N 1 0 405.458 3.671 20 5 HHBDRO CN1CCN([C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2cccs2)CC1 ZINC000517675011 1007889628 /nfs/dbraw/zinc/88/96/28/1007889628.db2.gz MQASRCJNOJYKBX-UXHICEINSA-N 1 0 400.548 3.612 20 5 HHBDRO Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(C[NH+](C)C)c1 ZINC000539666089 1007985145 /nfs/dbraw/zinc/98/51/45/1007985145.db2.gz IZLCAYVNAHMFNT-UHFFFAOYSA-N 1 0 406.280 3.909 20 5 HHBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1Oc1ccc(F)cc1 ZINC000539823081 1008117115 /nfs/dbraw/zinc/11/71/15/1008117115.db2.gz PCKDIHLSNFLJON-SFHVURJKSA-N 1 0 415.465 3.680 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)nc1 ZINC000539835751 1008128440 /nfs/dbraw/zinc/12/84/40/1008128440.db2.gz RTFUIBBSJOZGIW-SFHVURJKSA-N 1 0 405.458 3.650 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000539843570 1008134515 /nfs/dbraw/zinc/13/45/15/1008134515.db2.gz AGVGARAQMYJJCO-KRWDZBQOSA-N 1 0 411.502 3.671 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000533866714 1008168972 /nfs/dbraw/zinc/16/89/72/1008168972.db2.gz GAALCVHLAMXANK-SFHVURJKSA-N 1 0 407.474 3.746 20 5 HHBDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000539951314 1008202377 /nfs/dbraw/zinc/20/23/77/1008202377.db2.gz SCYNYMVJJAYHIT-UHFFFAOYSA-N 1 0 423.579 3.734 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 ZINC000533927327 1008211052 /nfs/dbraw/zinc/21/10/52/1008211052.db2.gz YNFSSDXBHFJFRD-IBGZPJMESA-N 1 0 400.866 3.691 20 5 HHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000540154405 1008314010 /nfs/dbraw/zinc/31/40/10/1008314010.db2.gz ZBDURCWJFOVFPU-QGZVFWFLSA-N 1 0 417.531 3.663 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000540285601 1008367534 /nfs/dbraw/zinc/36/75/34/1008367534.db2.gz IPGGMHHFKMSVJZ-ZHALLVOQSA-N 1 0 400.523 3.672 20 5 HHBDRO COc1cc(C)c([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000540399402 1008416870 /nfs/dbraw/zinc/41/68/70/1008416870.db2.gz ZKOQIDIXCHKLBM-HNNXBMFYSA-N 1 0 401.463 3.908 20 5 HHBDRO C[N@H+](CCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c1)C1CC1 ZINC000540430754 1008430453 /nfs/dbraw/zinc/43/04/53/1008430453.db2.gz RMOZIYHXBQYNSI-UHFFFAOYSA-N 1 0 415.515 3.568 20 5 HHBDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC1)c1ccccc1 ZINC000518844669 1008442173 /nfs/dbraw/zinc/44/21/73/1008442173.db2.gz HIVYYNQXJZNZHK-CQSZACIVSA-N 1 0 409.533 3.598 20 5 HHBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)c1ccccc1O2 ZINC000518963653 1008488705 /nfs/dbraw/zinc/48/87/05/1008488705.db2.gz GCCLMNXUFUOFTP-HXUWFJFHSA-N 1 0 420.469 3.794 20 5 HHBDRO CC[NH+](CC)CCN(C(=O)c1cc([N+](=O)[O-])cn1C)c1cccc(Br)c1 ZINC000519018185 1008502450 /nfs/dbraw/zinc/50/24/50/1008502450.db2.gz XLGJJLDPEWWWGD-UHFFFAOYSA-N 1 0 423.311 3.684 20 5 HHBDRO CCc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000519054634 1008512769 /nfs/dbraw/zinc/51/27/69/1008512769.db2.gz PQVKEFIIHURGIW-KUHUBIRLSA-N 1 0 419.909 3.997 20 5 HHBDRO CCc1nc(CN2CCC(CNc3cc(C(=O)OC)ccc3[N+](=O)[O-])CC2)cs1 ZINC000542972155 1008546189 /nfs/dbraw/zinc/54/61/89/1008546189.db2.gz CBKXYYQEKGJIMQ-UHFFFAOYSA-N 1 0 418.519 3.724 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccc(-c3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)cc2)C[C@H](C)O1 ZINC000545552122 1008650081 /nfs/dbraw/zinc/65/00/81/1008650081.db2.gz CVSBCAYTKQMRAX-KBPBESRZSA-N 1 0 409.446 3.503 20 5 HHBDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000543122009 1008696028 /nfs/dbraw/zinc/69/60/28/1008696028.db2.gz VKKSFBFIWSGUEH-UHFFFAOYSA-N 1 0 420.922 3.731 20 5 HHBDRO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543140734 1008714009 /nfs/dbraw/zinc/71/40/09/1008714009.db2.gz SFPSYVIJBVGENZ-IBGZPJMESA-N 1 0 424.501 3.577 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccc(Cn4cncn4)cc3)o2)c([N+](=O)[O-])c1 ZINC000549180258 1008752494 /nfs/dbraw/zinc/75/24/94/1008752494.db2.gz ZHZIOMHOULWKPN-UHFFFAOYSA-N 1 0 419.441 3.793 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)s1 ZINC000549264245 1008833956 /nfs/dbraw/zinc/83/39/56/1008833956.db2.gz TVTYVPNFFSVDRE-FOIQADDNSA-N 1 0 402.516 3.981 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000549301208 1008875601 /nfs/dbraw/zinc/87/56/01/1008875601.db2.gz UDBVFJQVHJZBMX-IFXJQAMLSA-N 1 0 403.504 3.868 20 5 HHBDRO CSc1ccc([C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000519562158 1008906181 /nfs/dbraw/zinc/90/61/81/1008906181.db2.gz YNJOCXCVRILPGF-YWZLYKJASA-N 1 0 416.547 3.926 20 5 HHBDRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)CC1 ZINC000549351551 1008930328 /nfs/dbraw/zinc/93/03/28/1008930328.db2.gz OPSMXRMGBCWBGF-UHFFFAOYSA-N 1 0 400.527 3.822 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 ZINC000543411157 1009004137 /nfs/dbraw/zinc/00/41/37/1009004137.db2.gz IVWRYGPMZXDYEZ-BULFRSBZSA-N 1 0 404.470 3.650 20 5 HHBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000519787310 1009006397 /nfs/dbraw/zinc/00/63/97/1009006397.db2.gz DCQMAAGAHIVDFO-CLLJXQQHSA-N 1 0 418.275 3.883 20 5 HHBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000543561704 1009168608 /nfs/dbraw/zinc/16/86/08/1009168608.db2.gz VOMKZDGIPUUNPH-BLLLJJGKSA-N 1 0 406.895 3.885 20 5 HHBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1nc2ccccc2s1 ZINC000543599153 1009204414 /nfs/dbraw/zinc/20/44/14/1009204414.db2.gz QIYOJSUCOVQGLS-ZIAGYGMSSA-N 1 0 419.528 3.760 20 5 HHBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1nc2ccccc2s1 ZINC000543599149 1009204486 /nfs/dbraw/zinc/20/44/86/1009204486.db2.gz QIYOJSUCOVQGLS-KBPBESRZSA-N 1 0 419.528 3.760 20 5 HHBDRO CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000546177276 1009207541 /nfs/dbraw/zinc/20/75/41/1009207541.db2.gz MLOVFKGCGZTGIB-QGZVFWFLSA-N 1 0 423.922 3.533 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)[NH+](C)C)cc1 ZINC000520061416 1009222701 /nfs/dbraw/zinc/22/27/01/1009222701.db2.gz APKDLDRPIIKFRC-XMMPIXPASA-N 1 0 413.521 3.882 20 5 HHBDRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000543641823 1009245703 /nfs/dbraw/zinc/24/57/03/1009245703.db2.gz KZOMJHPFYDJOHK-UHFFFAOYSA-N 1 0 416.453 3.573 20 5 HHBDRO COc1cc(-c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)ccc1OCC[NH+](C)C ZINC000546283525 1009306009 /nfs/dbraw/zinc/30/60/09/1009306009.db2.gz BLGXFTNWBUXHPV-UHFFFAOYSA-N 1 0 423.429 3.742 20 5 HHBDRO COc1cccc(N2C[C@@H]([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2=O)c1 ZINC000520216005 1009346683 /nfs/dbraw/zinc/34/66/83/1009346683.db2.gz NILRRELUXWOKHQ-HNNXBMFYSA-N 1 0 407.426 3.759 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000543785375 1009354919 /nfs/dbraw/zinc/35/49/19/1009354919.db2.gz TVYRRFHXNOEPJN-CZUORRHYSA-N 1 0 405.401 3.589 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000543785374 1009355214 /nfs/dbraw/zinc/35/52/14/1009355214.db2.gz TVYRRFHXNOEPJN-CJNGLKHVSA-N 1 0 405.401 3.589 20 5 HHBDRO COc1ccc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000543885096 1009460622 /nfs/dbraw/zinc/46/06/22/1009460622.db2.gz SBJZJCWHLAIVKL-UHFFFAOYSA-N 1 0 412.490 3.776 20 5 HHBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1cc3cccc([N+](=O)[O-])c3[nH]1)c1ccccc1O2 ZINC000520497648 1009594334 /nfs/dbraw/zinc/59/43/34/1009594334.db2.gz SWICPRWHSUKJRZ-SFHVURJKSA-N 1 0 420.469 3.794 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000550291359 1009837806 /nfs/dbraw/zinc/83/78/06/1009837806.db2.gz BOVOQHCHKGHGBV-KSSFIOAISA-N 1 0 401.438 3.584 20 5 HHBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000520790494 1009860399 /nfs/dbraw/zinc/86/03/99/1009860399.db2.gz OCPHNLDSFBGIGS-UHFFFAOYSA-N 1 0 419.485 3.696 20 5 HHBDRO Cc1nn(CCc2nc(-c3ccc(C[NH+]4CCC(C)CC4)cc3)no2)c(C)c1[N+](=O)[O-] ZINC000546979311 1009935290 /nfs/dbraw/zinc/93/52/90/1009935290.db2.gz PSAWQZSOQYKZTQ-UHFFFAOYSA-N 1 0 424.505 3.933 20 5 HHBDRO CCCC[NH+]1CCC(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000521039215 1010069033 /nfs/dbraw/zinc/06/90/33/1010069033.db2.gz UVBLGMLGPBHURM-QGZVFWFLSA-N 1 0 402.539 3.825 20 5 HHBDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000544482648 1010105876 /nfs/dbraw/zinc/10/58/76/1010105876.db2.gz HXVUOBILVCTSBJ-GFCCVEGCSA-N 1 0 402.451 3.678 20 5 HHBDRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)oc21 ZINC000544484587 1010108037 /nfs/dbraw/zinc/10/80/37/1010108037.db2.gz OBQVYZXRGIBDBD-CQSZACIVSA-N 1 0 409.442 3.980 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000550716351 1010124383 /nfs/dbraw/zinc/12/43/83/1010124383.db2.gz UTYVVFPGVZFIEN-SCLBCKFNSA-N 1 0 422.323 3.755 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000544574206 1010203026 /nfs/dbraw/zinc/20/30/26/1010203026.db2.gz NFUJBDVMGPOOSU-KRWDZBQOSA-N 1 0 410.879 3.525 20 5 HHBDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544574014 1010203419 /nfs/dbraw/zinc/20/34/19/1010203419.db2.gz GJEOBBOGVUXAQT-CYBMUJFWSA-N 1 0 416.421 3.608 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000544607781 1010234852 /nfs/dbraw/zinc/23/48/52/1010234852.db2.gz DWAIHOQTNDANHR-MRXNPFEDSA-N 1 0 417.531 3.614 20 5 HHBDRO CC(C)c1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000550886347 1010242356 /nfs/dbraw/zinc/24/23/56/1010242356.db2.gz MITMPDXQJBJZQH-FQEVSTJZSA-N 1 0 402.564 3.858 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000550998254 1010307599 /nfs/dbraw/zinc/30/75/99/1010307599.db2.gz VVZLQLVWMSWWGC-QGZVFWFLSA-N 1 0 414.481 3.577 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]CCC1(O)CCC1)c1ccccc1 ZINC000551000980 1010309146 /nfs/dbraw/zinc/30/91/46/1010309146.db2.gz BFWYRGIHMNKLMC-SFHVURJKSA-N 1 0 403.866 3.823 20 5 HHBDRO Cn1ccc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)n1 ZINC000544839350 1010428247 /nfs/dbraw/zinc/42/82/47/1010428247.db2.gz XVFXOQDUVNKESU-UHFFFAOYSA-N 1 0 405.252 3.683 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000551230347 1010452575 /nfs/dbraw/zinc/45/25/75/1010452575.db2.gz XTUDACBEOWYXOQ-UTKZUKDTSA-N 1 0 401.507 3.610 20 5 HHBDRO CN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1Cc1ccccc1 ZINC000551401442 1010562321 /nfs/dbraw/zinc/56/23/21/1010562321.db2.gz FYVYYRVIPBWDMH-OAQYLSRUSA-N 1 0 406.486 3.651 20 5 HHBDRO CCc1cc(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000545197702 1010680364 /nfs/dbraw/zinc/68/03/64/1010680364.db2.gz XRQWUTXFMCIYAT-UHFFFAOYSA-N 1 0 419.485 3.686 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000545199689 1010681098 /nfs/dbraw/zinc/68/10/98/1010681098.db2.gz SASNKNVISXYZML-HXUWFJFHSA-N 1 0 410.518 3.550 20 5 HHBDRO C[C@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000551719525 1010760724 /nfs/dbraw/zinc/76/07/24/1010760724.db2.gz ZJJYONBMBXDACE-GTNSWQLSSA-N 1 0 419.279 3.820 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000522177723 1010849134 /nfs/dbraw/zinc/84/91/34/1010849134.db2.gz DUZGLSBENYEMJJ-AWEZNQCLSA-N 1 0 423.872 3.745 20 5 HHBDRO CC(C)CCSc1ccc(C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000522270131 1010896459 /nfs/dbraw/zinc/89/64/59/1010896459.db2.gz DVZXNSRSMFOCBE-UHFFFAOYSA-N 1 0 405.524 3.743 20 5 HHBDRO Cc1ccc(C[C@@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccn2)cc1 ZINC000522380049 1010969276 /nfs/dbraw/zinc/96/92/76/1010969276.db2.gz XJPNSPRWWWRUCU-DHIUTWEWSA-N 1 0 416.481 3.977 20 5 HHBDRO CC(C)CCSc1ccc(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000522564026 1011082519 /nfs/dbraw/zinc/08/25/19/1011082519.db2.gz SGRQDZYHXFMYMV-SFHVURJKSA-N 1 0 423.579 3.556 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522731760 1011182968 /nfs/dbraw/zinc/18/29/68/1011182968.db2.gz FMBGJNZWBAPETG-CXAGYDPISA-N 1 0 410.396 3.755 20 5 HHBDRO Cn1cc(C[NH2+][C@@H]2CCCN(c3ccccc3F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540619426 1011270895 /nfs/dbraw/zinc/27/08/95/1011270895.db2.gz CSHKNUUHNDKXEY-GOSISDBHSA-N 1 0 409.465 3.893 20 5 HHBDRO CC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000540628558 1011276731 /nfs/dbraw/zinc/27/67/31/1011276731.db2.gz RBOLOBZULUMZLG-FQEVSTJZSA-N 1 0 405.458 3.583 20 5 HHBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000540658867 1011311323 /nfs/dbraw/zinc/31/13/23/1011311323.db2.gz OFIJYUXKIOJVPG-UHFFFAOYSA-N 1 0 424.501 3.588 20 5 HHBDRO COc1c(C)cnc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1C ZINC000540724305 1011376614 /nfs/dbraw/zinc/37/66/14/1011376614.db2.gz GEHIMRRHNJDVGV-UHFFFAOYSA-N 1 0 403.460 3.847 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCCCNc3ncc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000522936175 1011378926 /nfs/dbraw/zinc/37/89/26/1011378926.db2.gz MLEQOBPEOOBCPE-UHFFFAOYSA-N 1 0 403.914 3.966 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@H](O)C[C@H]3c3ccc(F)c(F)c3)o2)c1 ZINC000536239963 1011392929 /nfs/dbraw/zinc/39/29/29/1011392929.db2.gz PPYXJQVXPUSCAF-APWZRJJASA-N 1 0 415.396 3.878 20 5 HHBDRO CCOc1ccc([C@H](C)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)cc1[N+](=O)[O-] ZINC000540749366 1011402266 /nfs/dbraw/zinc/40/22/66/1011402266.db2.gz BVLITTSGGWZMCG-KXBFYZLASA-N 1 0 412.490 3.616 20 5 HHBDRO C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541026262 1011661604 /nfs/dbraw/zinc/66/16/04/1011661604.db2.gz WRODSRFEWFZGDJ-WMLDXEAASA-N 1 0 419.428 3.837 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000541055248 1011696086 /nfs/dbraw/zinc/69/60/86/1011696086.db2.gz XEVCSMBOBLPEEV-LNLFQRSKSA-N 1 0 405.539 3.944 20 5 HHBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC3(C[C@@H]3C(=O)OC)CC2)cc1OC ZINC000541056212 1011696403 /nfs/dbraw/zinc/69/64/03/1011696403.db2.gz DZJFHXPXXLIASP-NVXWUHKLSA-N 1 0 420.506 3.803 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000536530605 1011721098 /nfs/dbraw/zinc/72/10/98/1011721098.db2.gz OQTFPHRUXKYAHY-UHFFFAOYSA-N 1 0 414.531 3.707 20 5 HHBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000523285467 1011765730 /nfs/dbraw/zinc/76/57/30/1011765730.db2.gz OYDYENWUDZFGLQ-GGPKGHCWSA-N 1 0 414.550 3.778 20 5 HHBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000536663026 1011811645 /nfs/dbraw/zinc/81/16/45/1011811645.db2.gz RLHWDGBHCPVGSM-HIFRSBDPSA-N 1 0 419.444 3.849 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000541162984 1011825812 /nfs/dbraw/zinc/82/58/12/1011825812.db2.gz IIEQAIFGCIGHIJ-UHFFFAOYSA-N 1 0 413.522 3.755 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000541206211 1011875576 /nfs/dbraw/zinc/87/55/76/1011875576.db2.gz NZSJRMKCWNXADR-CQSZACIVSA-N 1 0 411.487 3.663 20 5 HHBDRO COc1ccc(C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000536743469 1011926198 /nfs/dbraw/zinc/92/61/98/1011926198.db2.gz DNTFSAOVXGWWOQ-DOTOQJQBSA-N 1 0 402.495 3.926 20 5 HHBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000536754144 1011944734 /nfs/dbraw/zinc/94/47/34/1011944734.db2.gz KQBHTSWYYJEULP-LJQANCHMSA-N 1 0 402.454 3.661 20 5 HHBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000536754143 1011944856 /nfs/dbraw/zinc/94/48/56/1011944856.db2.gz KQBHTSWYYJEULP-IBGZPJMESA-N 1 0 402.454 3.661 20 5 HHBDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000541314100 1012021258 /nfs/dbraw/zinc/02/12/58/1012021258.db2.gz YXVXBMJGFQIGCB-DNVCBOLYSA-N 1 0 411.458 3.985 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000536855633 1012088703 /nfs/dbraw/zinc/08/87/03/1012088703.db2.gz BACJMUCEZXWRHO-ZDUSSCGKSA-N 1 0 411.380 3.999 20 5 HHBDRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000536855605 1012088904 /nfs/dbraw/zinc/08/89/04/1012088904.db2.gz BACJMUCEZXWRHO-CYBMUJFWSA-N 1 0 411.380 3.999 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)C(=O)Nc2nnc(CC)s2)cc1[N+](=O)[O-] ZINC000552089414 1012104732 /nfs/dbraw/zinc/10/47/32/1012104732.db2.gz JQYQOKZITNSFFC-UPJWGTAASA-N 1 0 421.523 3.721 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000552098821 1012115344 /nfs/dbraw/zinc/11/53/44/1012115344.db2.gz PLMPYWCQYZPJDK-CYBMUJFWSA-N 1 0 420.897 3.930 20 5 HHBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000523656480 1012249971 /nfs/dbraw/zinc/24/99/71/1012249971.db2.gz VUYFQIVRHLREMR-UHFFFAOYSA-N 1 0 421.501 3.765 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N(CC[NH+](C)C)C3CCCC3)cc2[N+](=O)[O-])C1 ZINC000523663579 1012258515 /nfs/dbraw/zinc/25/85/15/1012258515.db2.gz LBIPKEQVBIGMBV-KRWDZBQOSA-N 1 0 402.539 3.778 20 5 HHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000552268377 1012279344 /nfs/dbraw/zinc/27/93/44/1012279344.db2.gz HHCOGGUGXWLVJF-CQSZACIVSA-N 1 0 408.886 3.622 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000552271014 1012284197 /nfs/dbraw/zinc/28/41/97/1012284197.db2.gz NQQHBIMQRIGGNH-RBUKOAKNSA-N 1 0 405.401 3.710 20 5 HHBDRO Cn1ccnc1[C@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552282349 1012295732 /nfs/dbraw/zinc/29/57/32/1012295732.db2.gz BTBXGJVBQVGCHY-DHIUTWEWSA-N 1 0 419.529 3.918 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)C1 ZINC000523721281 1012332871 /nfs/dbraw/zinc/33/28/71/1012332871.db2.gz UWFDQPPEZCWUKP-WMLDXEAASA-N 1 0 405.520 3.676 20 5 HHBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000541552496 1012339201 /nfs/dbraw/zinc/33/92/01/1012339201.db2.gz JCSFZHAGTFCPGT-IBGZPJMESA-N 1 0 418.444 3.922 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)o2)c(Br)c1 ZINC000541553507 1012340466 /nfs/dbraw/zinc/34/04/66/1012340466.db2.gz HSBKZSVRTJAVEQ-CXMBCZLWSA-N 1 0 407.264 3.820 20 5 HHBDRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000552339697 1012351400 /nfs/dbraw/zinc/35/14/00/1012351400.db2.gz DMMBORXVMCBBNU-GOSISDBHSA-N 1 0 416.909 3.792 20 5 HHBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000537061178 1012396830 /nfs/dbraw/zinc/39/68/30/1012396830.db2.gz GQWUSNWFCCZDAC-ACJLOTCBSA-N 1 0 423.391 3.992 20 5 HHBDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000541623794 1012434723 /nfs/dbraw/zinc/43/47/23/1012434723.db2.gz XCYJJMHJCPBLIC-CYBMUJFWSA-N 1 0 409.408 3.706 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000552434624 1012454325 /nfs/dbraw/zinc/45/43/25/1012454325.db2.gz SCAODNMSGTUVJY-UHFFFAOYSA-N 1 0 411.502 3.923 20 5 HHBDRO Cc1c(NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000537100943 1012464849 /nfs/dbraw/zinc/46/48/49/1012464849.db2.gz RAUMWDLXJYDGIG-UHFFFAOYSA-N 1 0 412.490 3.742 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000537107082 1012477029 /nfs/dbraw/zinc/47/70/29/1012477029.db2.gz HMVSCCLNYZGUPE-MRXNPFEDSA-N 1 0 416.497 3.735 20 5 HHBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(-n2ccnn2)cc1 ZINC000537129856 1012514112 /nfs/dbraw/zinc/51/41/12/1012514112.db2.gz MWESJEXQSFSNAC-HNNXBMFYSA-N 1 0 404.430 3.724 20 5 HHBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 ZINC000537170063 1012573815 /nfs/dbraw/zinc/57/38/15/1012573815.db2.gz VBEDQIKUPHSXOK-UHFFFAOYSA-N 1 0 409.552 3.715 20 5 HHBDRO COc1ccc(C2CCC([NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000541739793 1012594795 /nfs/dbraw/zinc/59/47/95/1012594795.db2.gz PVQQVUZEGACVGR-UHFFFAOYSA-N 1 0 418.515 3.693 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541739519 1012595071 /nfs/dbraw/zinc/59/50/71/1012595071.db2.gz JGQSLGUZGDYSQG-LXGCGDOSSA-N 1 0 401.438 3.961 20 5 HHBDRO COc1ccc(CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000523907860 1012625007 /nfs/dbraw/zinc/62/50/07/1012625007.db2.gz IETSAMCCNUOPCS-MRXNPFEDSA-N 1 0 412.490 3.628 20 5 HHBDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000541770476 1012636458 /nfs/dbraw/zinc/63/64/58/1012636458.db2.gz FJVRRTSIHPWIAZ-MRXNPFEDSA-N 1 0 401.429 3.916 20 5 HHBDRO Cc1nc(-c2ccc(CC[NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)s2)cs1 ZINC000552679434 1012687324 /nfs/dbraw/zinc/68/73/24/1012687324.db2.gz DPMMLMDLQVJVII-OAHLLOKOSA-N 1 0 419.528 3.660 20 5 HHBDRO C[NH+](C)CCOc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000523972676 1012717504 /nfs/dbraw/zinc/71/75/04/1012717504.db2.gz NHDOOLVKCRPZCA-UHFFFAOYSA-N 1 0 402.838 3.922 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1ccc(Br)cc1 ZINC000552737356 1012745375 /nfs/dbraw/zinc/74/53/75/1012745375.db2.gz NBSZRVKJRUTMDS-UHFFFAOYSA-N 1 0 406.280 3.860 20 5 HHBDRO NC(=O)[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)Cc1ccc(F)cc1 ZINC000537432198 1012919400 /nfs/dbraw/zinc/91/94/00/1012919400.db2.gz VIYZKILCFYOCLB-HNNXBMFYSA-N 1 0 413.474 3.896 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000542032064 1012929917 /nfs/dbraw/zinc/92/99/17/1012929917.db2.gz HGIHJSNBGVYOIE-GOSISDBHSA-N 1 0 413.478 3.517 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(OCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000576029393 1071839700 /nfs/dbraw/zinc/83/97/00/1071839700.db2.gz KDJSFYAGXZDOFR-RDAIKCOWSA-N 1 0 417.550 3.588 20 5 HHBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@@H]4CCCCN4[C@@H]4CC[NH2+]C4)n3)nc12 ZINC001212100160 1072086254 /nfs/dbraw/zinc/08/62/54/1072086254.db2.gz ASLYCYGOIUJNLI-MJGOQNOKSA-N 1 0 400.486 3.722 20 5 HHBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(NC(=O)C[NH2+][C@H](C)c2cccnc2)c1)c1cccnc1 ZINC000611932139 1072159370 /nfs/dbraw/zinc/15/93/70/1072159370.db2.gz YOVUUUHZHUTBGN-HZPDHXFCSA-N 1 0 420.473 3.847 20 5 HHBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000737692028 1072213995 /nfs/dbraw/zinc/21/39/95/1072213995.db2.gz QAEZFIHACIUKEC-IBGZPJMESA-N 1 0 414.550 3.922 20 5 HHBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)c(OC(F)F)c1 ZINC000760541922 1072566185 /nfs/dbraw/zinc/56/61/85/1072566185.db2.gz UIACOLGKOAAWBK-UHFFFAOYSA-N 1 0 407.417 3.834 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1[N+](=O)[O-] ZINC000538799336 1072674845 /nfs/dbraw/zinc/67/48/45/1072674845.db2.gz ZMYXHSKOROVYFY-LJQANCHMSA-N 1 0 406.490 3.866 20 5 HHBDRO Nc1cc(N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc(CO)c1[N+](=O)[O-] ZINC000588005368 1072741859 /nfs/dbraw/zinc/74/18/59/1072741859.db2.gz DNXAKEKQGBSOOP-UHFFFAOYSA-N 1 0 416.481 3.561 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000588008685 1072743586 /nfs/dbraw/zinc/74/35/86/1072743586.db2.gz DAHNCAITCAOSOK-KPZWWZAWSA-N 1 0 408.861 3.567 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000554971311 1073027215 /nfs/dbraw/zinc/02/72/15/1073027215.db2.gz PYLRNGHBQRMQAL-YQQQUEKLSA-N 1 0 409.486 3.919 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000588841420 1073300656 /nfs/dbraw/zinc/30/06/56/1073300656.db2.gz FZACNPLNHXCNTG-UHFFFAOYSA-N 1 0 410.861 3.688 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000555605691 1073670428 /nfs/dbraw/zinc/67/04/28/1073670428.db2.gz JUILNRCIFJHEJS-KSSFIOAISA-N 1 0 401.438 3.584 20 5 HHBDRO C[C@@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@H](C)[N@H+]1C ZINC000555659488 1073712481 /nfs/dbraw/zinc/71/24/81/1073712481.db2.gz RFUIBYATJMKHPO-MDOVXXIYSA-N 1 0 416.909 3.952 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1[N+](=O)[O-])c1ccccn1 ZINC000590375839 1073775841 /nfs/dbraw/zinc/77/58/41/1073775841.db2.gz NNDMGAVAXJFNBN-KRWDZBQOSA-N 1 0 423.517 3.721 20 5 HHBDRO CSc1ccc(C(=O)N(C[C@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000590541818 1073885707 /nfs/dbraw/zinc/88/57/07/1073885707.db2.gz VCJQVGRMPFFEEV-QGZVFWFLSA-N 1 0 423.579 3.650 20 5 HHBDRO COc1cc(F)cc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000573023276 1074062726 /nfs/dbraw/zinc/06/27/26/1074062726.db2.gz IJHUPTKGMIFYQS-UHFFFAOYSA-N 1 0 416.190 3.637 20 5 HHBDRO C[N@@H+]1CCCC[C@@H]1CCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000760830230 1074302847 /nfs/dbraw/zinc/30/28/47/1074302847.db2.gz GHESMWQJZPKHEI-OAHLLOKOSA-N 1 0 400.445 3.610 20 5 HHBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)CC2 ZINC000761146974 1075530454 /nfs/dbraw/zinc/53/04/54/1075530454.db2.gz WVUWDTCPHDYBIB-UHFFFAOYSA-N 1 0 416.703 3.711 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164695347 719890873 /nfs/dbraw/zinc/89/08/73/719890873.db2.gz OUFSTHWIYORGMF-UHFFFAOYSA-N 1 0 408.911 3.576 20 5 HHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)CC[C@@H]21 ZINC001164835037 720529489 /nfs/dbraw/zinc/52/94/89/720529489.db2.gz GUCGAAKNSQOPRK-CBQOVEMMSA-N 1 0 420.517 3.717 20 5 HHBDRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001164735312 720542967 /nfs/dbraw/zinc/54/29/67/720542967.db2.gz OPNPENJFIYUEFG-ZDUSSCGKSA-N 1 0 418.872 3.704 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)ncc3[N+](=O)[O-])C[C@H]21 ZINC001165025433 721804791 /nfs/dbraw/zinc/80/47/91/721804791.db2.gz OHWBJIHFZIPVLU-DJIMGWMZSA-N 1 0 401.898 3.775 20 5 HHBDRO C[C@@H]1C[N@@H+](CC2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000301149790 970772588 /nfs/dbraw/zinc/77/25/88/970772588.db2.gz CNWKNTLSKXKPKG-OKILXGFUSA-N 1 0 412.328 3.683 20 5 HHBDRO C[NH+](C)[C@H](CNc1ccc(I)cc1[N+](=O)[O-])c1ccco1 ZINC000301178609 970790252 /nfs/dbraw/zinc/79/02/52/970790252.db2.gz NYIVGJZFPIEINF-CYBMUJFWSA-N 1 0 401.204 3.507 20 5 HHBDRO CCc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301272317 970843352 /nfs/dbraw/zinc/84/33/52/970843352.db2.gz KMRDXOBIUNCYEJ-MRXNPFEDSA-N 1 0 411.506 3.527 20 5 HHBDRO Cc1ccnc(Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)c1[N+](=O)[O-] ZINC000301306190 970858722 /nfs/dbraw/zinc/85/87/22/970858722.db2.gz URJMMMYDNRXFTR-UHFFFAOYSA-N 1 0 404.474 3.759 20 5 HHBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC1CCC([NH+]2CCCCC2)CC1 ZINC000301544759 970973337 /nfs/dbraw/zinc/97/33/37/970973337.db2.gz OQBBFKPLDZPYBV-UHFFFAOYSA-N 1 0 417.478 3.800 20 5 HHBDRO C[C@H]([NH2+]C1(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000301570939 970984185 /nfs/dbraw/zinc/98/41/85/970984185.db2.gz MCEXPOORSRXVNP-HNNXBMFYSA-N 1 0 423.473 3.556 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])c4cnccc34)C2)cc(OC)c1 ZINC000301580220 970988777 /nfs/dbraw/zinc/98/87/77/970988777.db2.gz SKNOKDTUUJPJAV-MRXNPFEDSA-N 1 0 408.458 3.847 20 5 HHBDRO O=C1COc2cc([N+](=O)[O-])c(NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)cc2N1 ZINC000301686610 971028086 /nfs/dbraw/zinc/02/80/86/971028086.db2.gz LXJKJLMLOZVDOJ-SFHVURJKSA-N 1 0 416.865 3.828 20 5 HHBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1O2 ZINC000301750199 971052594 /nfs/dbraw/zinc/05/25/94/971052594.db2.gz QFNBCYYABDDXHC-SFHVURJKSA-N 1 0 415.877 3.966 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301813855 971073525 /nfs/dbraw/zinc/07/35/25/971073525.db2.gz ZIUPDDPXYIYYGG-GFCCVEGCSA-N 1 0 406.284 3.785 20 5 HHBDRO C[C@@H]1C[NH+](CC2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)C[C@@H](C)O1 ZINC000301870708 971093308 /nfs/dbraw/zinc/09/33/08/971093308.db2.gz PEIMWEUCPOJBNJ-QZTJIDSGSA-N 1 0 410.518 3.982 20 5 HHBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)nc1-c1ccccc1 ZINC000302030074 971155970 /nfs/dbraw/zinc/15/59/70/971155970.db2.gz BNPCZZMTMSDKEU-FQEVSTJZSA-N 1 0 404.470 3.836 20 5 HHBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(Br)c1 ZINC000302033899 971156573 /nfs/dbraw/zinc/15/65/73/971156573.db2.gz DKFQOAIXLVQEFS-MRXNPFEDSA-N 1 0 406.280 3.536 20 5 HHBDRO C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302039215 971158397 /nfs/dbraw/zinc/15/83/97/971158397.db2.gz HDNCUQHDYABLKV-QWHCGFSZSA-N 1 0 417.478 3.656 20 5 HHBDRO C[NH+](C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1cccc(C(F)(F)F)c1 ZINC000302230958 971213331 /nfs/dbraw/zinc/21/33/31/971213331.db2.gz XHUXJPCVHULXOL-MRXNPFEDSA-N 1 0 424.379 3.659 20 5 HHBDRO CCOc1cc(NC2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)ncn1 ZINC000302230565 971213398 /nfs/dbraw/zinc/21/33/98/971213398.db2.gz YJGVCRDIASVNGH-UHFFFAOYSA-N 1 0 408.462 3.721 20 5 HHBDRO Cc1cc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302383581 971230109 /nfs/dbraw/zinc/23/01/09/971230109.db2.gz DWWBCLPTVPETJN-UHFFFAOYSA-N 1 0 424.408 3.648 20 5 HHBDRO COC(=O)c1cnc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000302784766 971318274 /nfs/dbraw/zinc/31/82/74/971318274.db2.gz UZDYBJWAIFCGDO-UHFFFAOYSA-N 1 0 404.854 3.506 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000303125093 971515903 /nfs/dbraw/zinc/51/59/03/971515903.db2.gz NCXWYMXCDAZRRW-FQEVSTJZSA-N 1 0 419.909 3.810 20 5 HHBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000303190503 971551670 /nfs/dbraw/zinc/55/16/70/971551670.db2.gz MMTHGZIDRHYOAR-KRWDZBQOSA-N 1 0 400.504 3.809 20 5 HHBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000303302121 971613045 /nfs/dbraw/zinc/61/30/45/971613045.db2.gz MXYXZHKAXJKIAE-UHFFFAOYSA-N 1 0 402.882 3.594 20 5 HHBDRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000303399678 971682226 /nfs/dbraw/zinc/68/22/26/971682226.db2.gz OQRQQPGBORZJGF-INIZCTEOSA-N 1 0 403.504 3.537 20 5 HHBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000303454508 971757485 /nfs/dbraw/zinc/75/74/85/971757485.db2.gz FVGFZNMSVBURDP-UHFFFAOYSA-N 1 0 402.882 3.690 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000303494565 971792550 /nfs/dbraw/zinc/79/25/50/971792550.db2.gz SWXYCUQKBAJEBE-SFHVURJKSA-N 1 0 413.449 3.835 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303627424 971909396 /nfs/dbraw/zinc/90/93/96/971909396.db2.gz QDRWENCNVAHYIY-QZTJIDSGSA-N 1 0 418.538 3.518 20 5 HHBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000537604655 1013146433 /nfs/dbraw/zinc/14/64/33/1013146433.db2.gz ADVHQFICYCGBAB-KRWDZBQOSA-N 1 0 406.870 3.520 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000542203252 1013147520 /nfs/dbraw/zinc/14/75/20/1013147520.db2.gz RAQZXTKWSYAMLG-KRWDZBQOSA-N 1 0 421.291 3.762 20 5 HHBDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537618617 1013160616 /nfs/dbraw/zinc/16/06/16/1013160616.db2.gz HHVUPHHAIWHHEI-CYBMUJFWSA-N 1 0 410.879 3.989 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000303849738 972389516 /nfs/dbraw/zinc/38/95/16/972389516.db2.gz OEDBVEAXAHOIEF-GOSISDBHSA-N 1 0 419.485 3.517 20 5 HHBDRO COc1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537709527 1013276038 /nfs/dbraw/zinc/27/60/38/1013276038.db2.gz GVHVIKHWMDKXQF-QUCCMNQESA-N 1 0 400.475 3.775 20 5 HHBDRO COc1cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000010280628 961784930 /nfs/dbraw/zinc/78/49/30/961784930.db2.gz YCFLUOYDPRXXCP-UHFFFAOYSA-N 1 0 413.474 3.528 20 5 HHBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553456612 1013368971 /nfs/dbraw/zinc/36/89/71/1013368971.db2.gz VTNNLFILGOYBIZ-QHCPKHFHSA-N 1 0 404.470 3.814 20 5 HHBDRO CCOc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c([N+](=O)[O-])cc1OC ZINC000016102218 962945355 /nfs/dbraw/zinc/94/53/55/962945355.db2.gz UNRJIXHALOEICQ-UHFFFAOYSA-N 1 0 413.474 3.528 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000542455104 1013403382 /nfs/dbraw/zinc/40/33/82/1013403382.db2.gz PRALUMBSUONMNA-QGZVFWFLSA-N 1 0 418.538 3.790 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000017516740 963206531 /nfs/dbraw/zinc/20/65/31/963206531.db2.gz WLCZACAYCHXHFA-LJQANCHMSA-N 1 0 402.520 3.973 20 5 HHBDRO CC[N@H+](CCC1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000537847609 1013412959 /nfs/dbraw/zinc/41/29/59/1013412959.db2.gz UKNDXZPZDDBPGC-KRWDZBQOSA-N 1 0 402.539 3.756 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)c1 ZINC000025288212 964227039 /nfs/dbraw/zinc/22/70/39/964227039.db2.gz BMTGWTIZXHSNRA-QPPBQGQZSA-N 1 0 404.466 3.982 20 5 HHBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000050009239 964238073 /nfs/dbraw/zinc/23/80/73/964238073.db2.gz YXWCNRSPFHITSF-UHFFFAOYSA-N 1 0 403.526 3.632 20 5 HHBDRO CC(C)NC(=O)c1ccc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000025500592 964287748 /nfs/dbraw/zinc/28/77/48/964287748.db2.gz IAKRPWJWWBAGPL-AWEZNQCLSA-N 1 0 402.520 3.653 20 5 HHBDRO COc1ccc(OCC[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 ZINC000542544408 1013489153 /nfs/dbraw/zinc/48/91/53/1013489153.db2.gz KTUOWHDUTKAKNX-CQSZACIVSA-N 1 0 414.437 3.966 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000026712539 964654602 /nfs/dbraw/zinc/65/46/02/964654602.db2.gz PBCMTGANZNAZIU-QGZVFWFLSA-N 1 0 413.499 3.824 20 5 HHBDRO COc1ccc2oc([C@H](C)[NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)c2c1 ZINC000542582032 1013523202 /nfs/dbraw/zinc/52/32/02/1013523202.db2.gz BNDXAGOMVYAGBT-AWEZNQCLSA-N 1 0 418.471 3.783 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000027236879 964827324 /nfs/dbraw/zinc/82/73/24/964827324.db2.gz JVKKBUUZJBQMFM-LJQANCHMSA-N 1 0 414.458 3.508 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000537958308 1013537828 /nfs/dbraw/zinc/53/78/28/1013537828.db2.gz PCEMPFBBGSHSID-OAHLLOKOSA-N 1 0 412.508 3.668 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000052823783 964993384 /nfs/dbraw/zinc/99/33/84/964993384.db2.gz DBCBDYVADFQONC-GOSISDBHSA-N 1 0 411.433 3.744 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000542609813 1013544873 /nfs/dbraw/zinc/54/48/73/1013544873.db2.gz BITUOLUBERTDCV-LPHOPBHVSA-N 1 0 401.482 3.907 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cccc1[N+](=O)[O-] ZINC000028351266 965083046 /nfs/dbraw/zinc/08/30/46/965083046.db2.gz FJEUBTXOFSVPSI-CABCVRRESA-N 1 0 410.474 3.930 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000053417393 965160706 /nfs/dbraw/zinc/16/07/06/965160706.db2.gz RXPWPEGPIUNUHW-KDURUIRLSA-N 1 0 416.566 3.686 20 5 HHBDRO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000537979278 1013555509 /nfs/dbraw/zinc/55/55/09/1013555509.db2.gz ZQOZHENYXVQEMC-AEFFLSMTSA-N 1 0 423.469 3.561 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1COc2ccccc21 ZINC000542620283 1013556120 /nfs/dbraw/zinc/55/61/20/1013556120.db2.gz ROXPGCRRTAJKOM-CXAGYDPISA-N 1 0 424.482 3.811 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000053809762 965276681 /nfs/dbraw/zinc/27/66/81/965276681.db2.gz GAMFEEPOIUTTIX-IRXDYDNUSA-N 1 0 411.506 3.767 20 5 HHBDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1[N+](=O)[O-] ZINC000054217471 965429941 /nfs/dbraw/zinc/42/99/41/965429941.db2.gz KSSMSRXHADJHFD-UHFFFAOYSA-N 1 0 404.854 3.503 20 5 HHBDRO CC(C)[C@@H](CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000029839965 965519205 /nfs/dbraw/zinc/51/92/05/965519205.db2.gz PYFXCEUBMIZIAA-JOCHJYFZSA-N 1 0 410.518 3.510 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000029964790 965576640 /nfs/dbraw/zinc/57/66/40/965576640.db2.gz ZWWJYBRALHIBLW-UHFFFAOYSA-N 1 0 423.922 3.713 20 5 HHBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000058258468 965666079 /nfs/dbraw/zinc/66/60/79/965666079.db2.gz GKVMBSRCAWYTAG-UHFFFAOYSA-N 1 0 410.474 3.727 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000059122913 966003110 /nfs/dbraw/zinc/00/31/10/966003110.db2.gz YCXLQMASLRGKLR-UHFFFAOYSA-N 1 0 422.529 3.898 20 5 HHBDRO CCN(CC[NH+]1CCCCCC1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000553800868 1013624889 /nfs/dbraw/zinc/62/48/89/1013624889.db2.gz SKRRSXAZTFNYGB-UHFFFAOYSA-N 1 0 405.542 3.879 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC000032067562 966187966 /nfs/dbraw/zinc/18/79/66/966187966.db2.gz FDKXYPBSBOAUJZ-UHFFFAOYSA-N 1 0 410.518 3.544 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000542720425 1013632168 /nfs/dbraw/zinc/63/21/68/1013632168.db2.gz UYNMCSGSMLZVKP-QGZVFWFLSA-N 1 0 401.442 3.647 20 5 HHBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000032217035 966201277 /nfs/dbraw/zinc/20/12/77/966201277.db2.gz JYDYVOPZWLPHFU-JOCHJYFZSA-N 1 0 408.502 3.762 20 5 HHBDRO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196449 966254961 /nfs/dbraw/zinc/25/49/61/966254961.db2.gz YRHXTHPXKWQAIB-JKSUJKDBSA-N 1 0 412.490 3.755 20 5 HHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000032725153 966317816 /nfs/dbraw/zinc/31/78/16/966317816.db2.gz SLVVUTXDMWFCDZ-UHFFFAOYSA-N 1 0 407.474 3.552 20 5 HHBDRO O=C1CCCN1CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000061554819 966500267 /nfs/dbraw/zinc/50/02/67/966500267.db2.gz BENJWONQOZLMDC-UHFFFAOYSA-N 1 0 419.485 3.550 20 5 HHBDRO C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@@H+]1CCc2ccccc2C1 ZINC000064907837 967325445 /nfs/dbraw/zinc/32/54/45/967325445.db2.gz HBUUZWHUGDYXQB-OAHLLOKOSA-N 1 0 422.510 3.895 20 5 HHBDRO COc1cccc(OC)c1OC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065535010 967510249 /nfs/dbraw/zinc/51/02/49/967510249.db2.gz WNDWYTODZIVOEG-UHFFFAOYSA-N 1 0 402.447 3.534 20 5 HHBDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000542885126 1013733065 /nfs/dbraw/zinc/73/30/65/1013733065.db2.gz PFQPMNZBVXZWSH-BTYIYWSLSA-N 1 0 405.458 3.545 20 5 HHBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1OC ZINC000542915235 1013754850 /nfs/dbraw/zinc/75/48/50/1013754850.db2.gz KXIBDCWNRUQQPR-IAGOWNOFSA-N 1 0 417.510 3.532 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000538207606 1013761016 /nfs/dbraw/zinc/76/10/16/1013761016.db2.gz HKZQNUNJOVLOFJ-ZDUSSCGKSA-N 1 0 416.865 3.664 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000538216482 1013768101 /nfs/dbraw/zinc/76/81/01/1013768101.db2.gz CQGAKYIHTDZOEL-OAQYLSRUSA-N 1 0 421.453 3.952 20 5 HHBDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1)C[C@@H]1CCCCO1 ZINC000538219578 1013770890 /nfs/dbraw/zinc/77/08/90/1013770890.db2.gz IKCNCJPWFWQPGA-IBGZPJMESA-N 1 0 400.479 3.955 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC000047608581 968256782 /nfs/dbraw/zinc/25/67/82/968256782.db2.gz FFBQNYUAYZSMHC-ZIAGYGMSSA-N 1 0 417.462 3.689 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000047609127 968257105 /nfs/dbraw/zinc/25/71/05/968257105.db2.gz LURDREIJFVBUCQ-CABCVRRESA-N 1 0 401.463 3.988 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC000047608579 968257119 /nfs/dbraw/zinc/25/71/19/968257119.db2.gz FFBQNYUAYZSMHC-KBPBESRZSA-N 1 0 417.462 3.689 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000554079337 1013789126 /nfs/dbraw/zinc/78/91/26/1013789126.db2.gz UQGCHUYBXOUEAJ-HSZRJFAPSA-N 1 0 410.518 3.833 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccs1 ZINC000047864584 968346226 /nfs/dbraw/zinc/34/62/26/968346226.db2.gz TUXZYQSKKMSVIR-GFCCVEGCSA-N 1 0 400.407 3.682 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1 ZINC000048095607 968421042 /nfs/dbraw/zinc/42/10/42/968421042.db2.gz VHEREIPSZANULU-HNNXBMFYSA-N 1 0 412.368 3.760 20 5 HHBDRO Cc1c([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000538267290 1013807866 /nfs/dbraw/zinc/80/78/66/1013807866.db2.gz DLEDLSNMRNZBDE-AWEZNQCLSA-N 1 0 411.437 3.907 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000538267291 1013808174 /nfs/dbraw/zinc/80/81/74/1013808174.db2.gz DLEDLSNMRNZBDE-CQSZACIVSA-N 1 0 411.437 3.907 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccc(OC)c1 ZINC000065721167 968613089 /nfs/dbraw/zinc/61/30/89/968613089.db2.gz OGOKSUCUTVIEOK-QFIPXVFZSA-N 1 0 424.501 3.757 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC ZINC000538280991 1013819249 /nfs/dbraw/zinc/81/92/49/1013819249.db2.gz ZMSQRFVFENBEGV-OAHLLOKOSA-N 1 0 401.463 3.990 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000065931764 968722592 /nfs/dbraw/zinc/72/25/92/968722592.db2.gz OTUSETTYDLINDU-OAHLLOKOSA-N 1 0 405.495 3.805 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000065937248 968725740 /nfs/dbraw/zinc/72/57/40/968725740.db2.gz DJCASMSWUGWNPZ-UHFFFAOYSA-N 1 0 407.923 3.931 20 5 HHBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000065946450 968732970 /nfs/dbraw/zinc/73/29/70/968732970.db2.gz DEVNJDNWPZQFRR-UHFFFAOYSA-N 1 0 406.483 3.760 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000072045836 968956761 /nfs/dbraw/zinc/95/67/61/968956761.db2.gz MPXPSNTZJVUWMR-UHFFFAOYSA-N 1 0 409.408 3.747 20 5 HHBDRO CC(C)C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH2+][C@H](C)c1ccccc1 ZINC000554181256 1013840376 /nfs/dbraw/zinc/84/03/76/1013840376.db2.gz CIKLCUZPDIWKKZ-NVXWUHKLSA-N 1 0 409.490 3.966 20 5 HHBDRO COc1cc(C(=O)N2CCC[N@H+](C)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000097617424 969178279 /nfs/dbraw/zinc/17/82/79/969178279.db2.gz YYLGTUSVJRSRLS-UHFFFAOYSA-N 1 0 419.865 3.827 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000554218342 1013858611 /nfs/dbraw/zinc/85/86/11/1013858611.db2.gz NEWUHKVYWQVGDQ-GOSISDBHSA-N 1 0 402.520 3.677 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000108785183 969419421 /nfs/dbraw/zinc/41/94/21/969419421.db2.gz REMGYVNUAOIJRB-QGZVFWFLSA-N 1 0 423.517 3.863 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)[NH+](C)C)cc1 ZINC000109290320 969491668 /nfs/dbraw/zinc/49/16/68/969491668.db2.gz SLJRJEABJNOLOD-QFIPXVFZSA-N 1 0 410.518 3.926 20 5 HHBDRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000109351202 969504639 /nfs/dbraw/zinc/50/46/39/969504639.db2.gz HPEIFZJSHBTRKA-UHFFFAOYSA-N 1 0 411.506 3.555 20 5 HHBDRO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000110790165 969723906 /nfs/dbraw/zinc/72/39/06/969723906.db2.gz QBJKVWOFWYWXAS-UHFFFAOYSA-N 1 0 421.501 3.989 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N(C)CC[NH+]3CCCC3)cc2[N+](=O)[O-])n1 ZINC000110912456 969740553 /nfs/dbraw/zinc/74/05/53/969740553.db2.gz FZCYTHUNTUBGSA-UHFFFAOYSA-N 1 0 406.533 3.679 20 5 HHBDRO CC[NH+]1CCN(Cc2ccccc2CNc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000111193197 969797857 /nfs/dbraw/zinc/79/78/57/969797857.db2.gz FRTWRYYRSJKGIK-UHFFFAOYSA-N 1 0 411.531 3.954 20 5 HHBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000115844457 969857085 /nfs/dbraw/zinc/85/70/85/969857085.db2.gz AMODAEVSWMQTHZ-GUTXKFCHSA-N 1 0 415.943 3.583 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000138951223 970016472 /nfs/dbraw/zinc/01/64/72/970016472.db2.gz IIYNWPGQNHNNCN-UHFFFAOYSA-N 1 0 401.488 3.713 20 5 HHBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000215801667 970054418 /nfs/dbraw/zinc/05/44/18/970054418.db2.gz AJFBCAYDVHHVKU-QGZVFWFLSA-N 1 0 410.499 3.621 20 5 HHBDRO COc1ccc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000217148884 970083435 /nfs/dbraw/zinc/08/34/35/970083435.db2.gz GDEWEXUSSMYPOS-LBPRGKRZSA-N 1 0 422.279 3.680 20 5 HHBDRO COc1ccc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000217148873 970083489 /nfs/dbraw/zinc/08/34/89/970083489.db2.gz GDEWEXUSSMYPOS-GFCCVEGCSA-N 1 0 422.279 3.680 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000229933374 970133397 /nfs/dbraw/zinc/13/33/97/970133397.db2.gz AMMUASPBELURSJ-LSDHHAIUSA-N 1 0 424.457 3.951 20 5 HHBDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236897414 970185921 /nfs/dbraw/zinc/18/59/21/970185921.db2.gz VPQAYEDNFJCGHL-MRXNPFEDSA-N 1 0 421.501 3.813 20 5 HHBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000237004950 970205654 /nfs/dbraw/zinc/20/56/54/970205654.db2.gz KCXPGPIKKKWRRF-CRAIPNDOSA-N 1 0 402.495 3.856 20 5 HHBDRO CN(C)[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000237034341 970211385 /nfs/dbraw/zinc/21/13/85/970211385.db2.gz WPRIUECUMYMFKV-JOCHJYFZSA-N 1 0 405.502 3.877 20 5 HHBDRO COc1cc(CNCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237168763 970234641 /nfs/dbraw/zinc/23/46/41/970234641.db2.gz FTCDATAAQVCUPL-ZDUSSCGKSA-N 1 0 405.417 3.509 20 5 HHBDRO COc1ccc(C[NH2+]Cc2ccc(C(N)=O)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237221877 970244005 /nfs/dbraw/zinc/24/40/05/970244005.db2.gz SUGBWUBNEPOWRD-UHFFFAOYSA-N 1 0 421.453 3.571 20 5 HHBDRO COc1cc(C[NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)ccn1 ZINC000237257961 970250261 /nfs/dbraw/zinc/25/02/61/970250261.db2.gz WXPJEHAGWFLQKG-UHFFFAOYSA-N 1 0 409.442 3.876 20 5 HHBDRO COc1cc(C[NH2+][C@H]2c3ccccc3C[C@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237362291 970270378 /nfs/dbraw/zinc/27/03/78/970270378.db2.gz GQMLTAMNTZQQQP-QPPBQGQZSA-N 1 0 420.465 3.930 20 5 HHBDRO C[C@@H]1CN([C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])c2c(F)cccc2Cl)CCO1 ZINC000237433324 970285455 /nfs/dbraw/zinc/28/54/55/970285455.db2.gz WLDXDZQKSWQFEM-KUHUBIRLSA-N 1 0 407.873 3.939 20 5 HHBDRO COc1cc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237443044 970289234 /nfs/dbraw/zinc/28/92/34/970289234.db2.gz KAKHPXIHQSYEDM-SFHVURJKSA-N 1 0 411.502 3.756 20 5 HHBDRO Cc1ccc([C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)N2CCOCC2)o1 ZINC000237654854 970330814 /nfs/dbraw/zinc/33/08/14/970330814.db2.gz PQJKBLZDHWESJI-FQEVSTJZSA-N 1 0 411.458 3.919 20 5 HHBDRO Cc1noc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)n1 ZINC000237688091 970339738 /nfs/dbraw/zinc/33/97/38/970339738.db2.gz HCPJNTMOHIGJSA-UHFFFAOYSA-N 1 0 407.224 3.641 20 5 HHBDRO O=C(NCCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 ZINC000237723827 970347239 /nfs/dbraw/zinc/34/72/39/970347239.db2.gz JNYBIZGMYJOJKH-UHFFFAOYSA-N 1 0 414.462 3.767 20 5 HHBDRO Cn1cc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237752788 970355117 /nfs/dbraw/zinc/35/51/17/970355117.db2.gz SXZFUQVPEIEDCW-UHFFFAOYSA-N 1 0 422.485 3.834 20 5 HHBDRO Cn1cc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237783067 970365961 /nfs/dbraw/zinc/36/59/61/970365961.db2.gz LYTNTFHBHMAFQW-UHFFFAOYSA-N 1 0 402.458 3.530 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 ZINC000237872683 970385767 /nfs/dbraw/zinc/38/57/67/970385767.db2.gz PJQCNQCAHIHVIQ-INIZCTEOSA-N 1 0 406.529 3.579 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCOC[C@@H]2CCCO2)cc1 ZINC000237999458 970415081 /nfs/dbraw/zinc/41/50/81/970415081.db2.gz PACIQVOFNRVAIT-QFIPXVFZSA-N 1 0 422.485 3.733 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cccnc3N3CCOCC3)s2)cc1 ZINC000238001698 970415472 /nfs/dbraw/zinc/41/54/72/970415472.db2.gz IPWHOLZTIRWARQ-UHFFFAOYSA-N 1 0 410.499 3.845 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3(N4CCOCC4)CCCCC3)cs2)c1 ZINC000238005838 970416634 /nfs/dbraw/zinc/41/66/34/970416634.db2.gz MIFKQZDDJOGPTM-UHFFFAOYSA-N 1 0 416.547 3.843 20 5 HHBDRO CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(=O)Nc1ccccc1C ZINC000150118234 970428327 /nfs/dbraw/zinc/42/83/27/970428327.db2.gz GZDZQCAUXNUQLE-UHFFFAOYSA-N 1 0 412.490 3.891 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+]C2(c3ccc(F)cc3)CCOCC2)cccc1[N+](=O)[O-] ZINC000261415769 970664587 /nfs/dbraw/zinc/66/45/87/970664587.db2.gz BUOOVPIVFTWTAZ-UHFFFAOYSA-N 1 0 401.438 3.666 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000554846268 1014072966 /nfs/dbraw/zinc/07/29/66/1014072966.db2.gz QBNIKNWWSVKAIK-INIZCTEOSA-N 1 0 415.412 3.987 20 5 HHBDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000410046114 973527445 /nfs/dbraw/zinc/52/74/45/973527445.db2.gz BHHBOQAZJIYZDZ-OAQYLSRUSA-N 1 0 411.502 3.563 20 5 HHBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000426286892 974372879 /nfs/dbraw/zinc/37/28/79/974372879.db2.gz SZTJNPJMMVBKBG-UHFFFAOYSA-N 1 0 414.428 3.774 20 5 HHBDRO C[C@H]1C[NH+](CCC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000426642298 974578712 /nfs/dbraw/zinc/57/87/12/974578712.db2.gz HIVKTTZRJZZVCT-GJZGRUSLSA-N 1 0 424.929 3.991 20 5 HHBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000427109583 974910844 /nfs/dbraw/zinc/91/08/44/974910844.db2.gz HQPDFLMXSSVYFV-UHFFFAOYSA-N 1 0 411.462 3.547 20 5 HHBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000427162867 974949511 /nfs/dbraw/zinc/94/95/11/974949511.db2.gz NVEUACGQFZCNPZ-SFHVURJKSA-N 1 0 403.523 3.609 20 5 HHBDRO CC[N@H+](CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)CCC(F)(F)F ZINC000427198859 974972432 /nfs/dbraw/zinc/97/24/32/974972432.db2.gz ITRIEKZZGASIGK-UHFFFAOYSA-N 1 0 416.425 3.722 20 5 HHBDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000427327202 975054544 /nfs/dbraw/zinc/05/45/44/975054544.db2.gz CHBQNXNPUMJMND-HUUCEWRRSA-N 1 0 409.914 3.600 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000427472040 975136771 /nfs/dbraw/zinc/13/67/71/975136771.db2.gz CWRWVPFSAUYKLN-UHFFFAOYSA-N 1 0 401.488 3.713 20 5 HHBDRO Cc1ccc(S(=O)(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)cc1[N+](=O)[O-] ZINC000427646549 975223283 /nfs/dbraw/zinc/22/32/83/975223283.db2.gz RSWNQCMPOQKUKN-UHFFFAOYSA-N 1 0 424.482 3.662 20 5 HHBDRO C[C@H](O)C[NH+]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000428414945 975734065 /nfs/dbraw/zinc/73/40/65/975734065.db2.gz SINWTLPFFCHUES-HNNXBMFYSA-N 1 0 405.882 3.539 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000428531740 975825727 /nfs/dbraw/zinc/82/57/27/975825727.db2.gz DHLVZBSOKYUXRQ-HNNXBMFYSA-N 1 0 423.307 3.697 20 5 HHBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000428719256 976008676 /nfs/dbraw/zinc/00/86/76/976008676.db2.gz IAJFLAZSSIFJRR-GXTWGEPZSA-N 1 0 417.453 3.648 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429126722 976411834 /nfs/dbraw/zinc/41/18/34/976411834.db2.gz IGIQHVWHHKUNGL-WBVHZDCISA-N 1 0 408.907 3.855 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000429914294 977189305 /nfs/dbraw/zinc/18/93/05/977189305.db2.gz OMTHEPFPYFSEOM-FQEVSTJZSA-N 1 0 411.502 3.834 20 5 HHBDRO C[N@H+](CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000429950601 977223074 /nfs/dbraw/zinc/22/30/74/977223074.db2.gz PQLWCMBYJVOGIM-UHFFFAOYSA-N 1 0 406.280 3.609 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000430212090 977394406 /nfs/dbraw/zinc/39/44/06/977394406.db2.gz ZGYQINOZZSJTRJ-HNNXBMFYSA-N 1 0 416.453 3.776 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000430653215 977669644 /nfs/dbraw/zinc/66/96/44/977669644.db2.gz OWMLFLZSJGDYFO-MJGOQNOKSA-N 1 0 419.485 3.563 20 5 HHBDRO Cc1cc(OCC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000430700390 977703289 /nfs/dbraw/zinc/70/32/89/977703289.db2.gz AZODIZFNDKDWCD-MGPUTAFESA-N 1 0 403.504 3.543 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)cc1OC ZINC000430823934 977779428 /nfs/dbraw/zinc/77/94/28/977779428.db2.gz VDIDMOSWIRGEFD-WBVHZDCISA-N 1 0 407.511 3.633 20 5 HHBDRO COc1ccc(OCC[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430826622 977781674 /nfs/dbraw/zinc/78/16/74/977781674.db2.gz IHEWXUKBUDGDEF-UYAOXDASSA-N 1 0 413.518 3.967 20 5 HHBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430911938 977880309 /nfs/dbraw/zinc/88/03/09/977880309.db2.gz JLXMIDJUBNRNIU-MRXNPFEDSA-N 1 0 418.291 3.752 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000431037749 977970094 /nfs/dbraw/zinc/97/00/94/977970094.db2.gz PRPLMVQHGPIVBB-QGZVFWFLSA-N 1 0 406.280 3.698 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000431050659 977980325 /nfs/dbraw/zinc/98/03/25/977980325.db2.gz VHIKGTMKZXJXBJ-RXVVDRJESA-N 1 0 410.518 3.956 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431159256 978059705 /nfs/dbraw/zinc/05/97/05/978059705.db2.gz NMDKHVNHOUCERU-ZIAGYGMSSA-N 1 0 412.328 3.845 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431159254 978060070 /nfs/dbraw/zinc/06/00/70/978060070.db2.gz NMDKHVNHOUCERU-KBPBESRZSA-N 1 0 412.328 3.845 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000431169921 978070811 /nfs/dbraw/zinc/07/08/11/978070811.db2.gz AKYSAORGBLEERJ-MRXNPFEDSA-N 1 0 410.243 3.529 20 5 HHBDRO O=c1[nH]c(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc2ccc([N+](=O)[O-])cc12 ZINC000431476179 978321607 /nfs/dbraw/zinc/32/16/07/978321607.db2.gz WWANWOMHXYBLAL-UHFFFAOYSA-N 1 0 419.485 3.736 20 5 HHBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000431571818 978364619 /nfs/dbraw/zinc/36/46/19/978364619.db2.gz RLACFJLJINLRGK-UHFFFAOYSA-N 1 0 402.539 3.683 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000431785803 978512185 /nfs/dbraw/zinc/51/21/85/978512185.db2.gz PMIMZUWNBOHDQW-INIZCTEOSA-N 1 0 410.243 3.529 20 5 HHBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000431918356 978600167 /nfs/dbraw/zinc/60/01/67/978600167.db2.gz HJOAPHCEFMQDLJ-ZBFHGGJFSA-N 1 0 423.922 3.580 20 5 HHBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000431933485 978608496 /nfs/dbraw/zinc/60/84/96/978608496.db2.gz CPNDPGPCOUHTIE-UHFFFAOYSA-N 1 0 422.279 3.940 20 5 HHBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433176179 979119964 /nfs/dbraw/zinc/11/99/64/979119964.db2.gz PTKNGCVJZDSNHI-IBGZPJMESA-N 1 0 422.529 3.910 20 5 HHBDRO CC1(C)C[C@@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433212411 979146349 /nfs/dbraw/zinc/14/63/49/979146349.db2.gz IJDQKOXEHWYTLV-GOSISDBHSA-N 1 0 414.506 3.552 20 5 HHBDRO COc1cc(NC(=O)CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC)cc1Cl ZINC000433278424 979211803 /nfs/dbraw/zinc/21/18/03/979211803.db2.gz HUWRJMLWCKUCNJ-UHFFFAOYSA-N 1 0 407.854 3.726 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccccc1Cl ZINC000433862087 979633073 /nfs/dbraw/zinc/63/30/73/979633073.db2.gz IMEPIUOQWMYFFD-HNNXBMFYSA-N 1 0 407.902 3.908 20 5 HHBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000434313956 980075202 /nfs/dbraw/zinc/07/52/02/980075202.db2.gz CFRQOHJVFUHCAW-NRFANRHFSA-N 1 0 419.485 3.728 20 5 HHBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000434321018 980084244 /nfs/dbraw/zinc/08/42/44/980084244.db2.gz IYGNBKKXHIRLCP-SFHVURJKSA-N 1 0 423.448 3.938 20 5 HHBDRO CC(C)c1[nH]nc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000434363596 980116334 /nfs/dbraw/zinc/11/63/34/980116334.db2.gz KANXUWXVVZRKDV-UHFFFAOYSA-N 1 0 401.467 3.558 20 5 HHBDRO Cc1c(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435323993 980782570 /nfs/dbraw/zinc/78/25/70/980782570.db2.gz RHQFOQPBRQXSSD-LLVKDONJSA-N 1 0 401.305 3.764 20 5 HHBDRO Cc1c(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435331189 980789364 /nfs/dbraw/zinc/78/93/64/980789364.db2.gz ZCOULAGZGRWYNE-GFCCVEGCSA-N 1 0 413.316 3.909 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435366862 980815349 /nfs/dbraw/zinc/81/53/49/980815349.db2.gz OYMAZKKUJIXNAG-LJQANCHMSA-N 1 0 405.458 3.799 20 5 HHBDRO Cc1ccc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000435372141 980821517 /nfs/dbraw/zinc/82/15/17/980821517.db2.gz ZZGVCNVNCDICHI-LJQANCHMSA-N 1 0 405.458 3.799 20 5 HHBDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000435522795 980918138 /nfs/dbraw/zinc/91/81/38/980918138.db2.gz PLUJORIPAICTPU-UHFFFAOYSA-N 1 0 406.486 3.632 20 5 HHBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 ZINC000435827919 981049162 /nfs/dbraw/zinc/04/91/62/981049162.db2.gz RSCDNFHJSZQHBL-UHFFFAOYSA-N 1 0 421.447 3.951 20 5 HHBDRO C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[N@@H+]1CCC[C@@H](C)C1 ZINC000436113465 981206661 /nfs/dbraw/zinc/20/66/61/981206661.db2.gz YYFXHKKLVPRHMF-ZIAGYGMSSA-N 1 0 413.468 3.810 20 5 HHBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000436358239 981323176 /nfs/dbraw/zinc/32/31/76/981323176.db2.gz IUCXTQUZZCJVND-UHFFFAOYSA-N 1 0 415.497 3.787 20 5 HHBDRO CCOc1cc(C[NH2+][C@@H]2CC[C@@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000436408175 981352559 /nfs/dbraw/zinc/35/25/59/981352559.db2.gz KSNAWVPQXPXBLE-CRAIPNDOSA-N 1 0 402.495 3.856 20 5 HHBDRO O=C1c2ccccc2C(=O)N1C1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000436409323 981353165 /nfs/dbraw/zinc/35/31/65/981353165.db2.gz XRRWWEVDKQDWFW-UHFFFAOYSA-N 1 0 413.861 3.945 20 5 HHBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000436436730 981369195 /nfs/dbraw/zinc/36/91/95/981369195.db2.gz VSRPRZGBDCVXFN-OALUTQOASA-N 1 0 414.531 3.585 20 5 HHBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000437188070 981844115 /nfs/dbraw/zinc/84/41/15/981844115.db2.gz ZEZCVCCRYYICGY-JENIJYKNSA-N 1 0 402.539 3.633 20 5 HHBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000437191811 981849295 /nfs/dbraw/zinc/84/92/95/981849295.db2.gz BLEAZZXSDRKCGA-FUHWJXTLSA-N 1 0 411.506 3.719 20 5 HHBDRO CC[N@@H+]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CCc2ccccc2)CC1 ZINC000460407740 982190292 /nfs/dbraw/zinc/19/02/92/982190292.db2.gz APERTOZFYLYGLY-UHFFFAOYSA-N 1 0 420.517 3.628 20 5 HHBDRO CN1CCC(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)([NH+]2CCCCC2)CC1 ZINC000460503417 982292930 /nfs/dbraw/zinc/29/29/30/982292930.db2.gz LNINKUCYOHNRQC-UHFFFAOYSA-N 1 0 416.566 3.572 20 5 HHBDRO CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460580001 982364711 /nfs/dbraw/zinc/36/47/11/982364711.db2.gz ISINSXWWXXFYPP-LJQANCHMSA-N 1 0 412.538 3.964 20 5 HHBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)C[C@@H]1C ZINC000460739105 982497563 /nfs/dbraw/zinc/49/75/63/982497563.db2.gz WRBXUFWXGPBKED-WMZOPIPTSA-N 1 0 400.527 3.818 20 5 HHBDRO C[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000438018389 982527281 /nfs/dbraw/zinc/52/72/81/982527281.db2.gz WQFDQFMSEAJWPX-QGZVFWFLSA-N 1 0 408.502 3.716 20 5 HHBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000461041239 982742286 /nfs/dbraw/zinc/74/22/86/982742286.db2.gz GGERUEOHVLOZDZ-QGZVFWFLSA-N 1 0 407.392 3.547 20 5 HHBDRO CC(C)C1CCC([NH+]2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000438543352 982881814 /nfs/dbraw/zinc/88/18/14/982881814.db2.gz FSIAFAAFXZPVNF-PGYGNJIDSA-N 1 0 402.539 3.754 20 5 HHBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000438545676 982883958 /nfs/dbraw/zinc/88/39/58/982883958.db2.gz KBJVJOMTSKVQAN-UHFFFAOYSA-N 1 0 412.309 3.623 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000438554765 982895174 /nfs/dbraw/zinc/89/51/74/982895174.db2.gz TXCNQJAXZHHLOI-UHFFFAOYSA-N 1 0 406.486 3.673 20 5 HHBDRO O=C(CSc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461430177 983093199 /nfs/dbraw/zinc/09/31/99/983093199.db2.gz WZSMFSQAJPIYOL-RBUKOAKNSA-N 1 0 411.527 3.667 20 5 HHBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461455377 983121190 /nfs/dbraw/zinc/12/11/90/983121190.db2.gz JXYYMFLLOPIHAY-WOJBJXKFSA-N 1 0 420.513 3.763 20 5 HHBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461456061 983121907 /nfs/dbraw/zinc/12/19/07/983121907.db2.gz LJKFLPLLTKWLPY-RBUKOAKNSA-N 1 0 416.481 3.737 20 5 HHBDRO CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cccs1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000461486106 983141250 /nfs/dbraw/zinc/14/12/50/983141250.db2.gz HGTTVCMXAXLBPU-GOSISDBHSA-N 1 0 424.530 3.636 20 5 HHBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000461547512 983184658 /nfs/dbraw/zinc/18/46/58/983184658.db2.gz YPQPOYDMIWHHGR-ZDUSSCGKSA-N 1 0 401.457 3.810 20 5 HHBDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000439012182 983209647 /nfs/dbraw/zinc/20/96/47/983209647.db2.gz SZQSVPSWDQYAQC-FCLVOEFKSA-N 1 0 400.479 3.796 20 5 HHBDRO Cc1c(CC(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000439286025 983345613 /nfs/dbraw/zinc/34/56/13/983345613.db2.gz KTQKBNSYJJRQPW-HXUWFJFHSA-N 1 0 419.485 3.728 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000439892178 983573094 /nfs/dbraw/zinc/57/30/94/983573094.db2.gz ROLVNIUVRUTHPP-OAHLLOKOSA-N 1 0 413.478 3.736 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000439913743 983581284 /nfs/dbraw/zinc/58/12/84/983581284.db2.gz MOFWQENRYDQWQS-SFHVURJKSA-N 1 0 412.490 3.680 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000440180833 983672366 /nfs/dbraw/zinc/67/23/66/983672366.db2.gz ADHDHVJJSKHWJY-INIZCTEOSA-N 1 0 411.506 3.750 20 5 HHBDRO CC1(c2ccc(Br)cc2)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000440514131 983781757 /nfs/dbraw/zinc/78/17/57/983781757.db2.gz XBLJWXKJQQEHGT-UHFFFAOYSA-N 1 0 420.307 3.573 20 5 HHBDRO COc1ccccc1-c1ccc(C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000441469501 984268305 /nfs/dbraw/zinc/26/83/05/984268305.db2.gz SETMPZOTSJPFJZ-NRFANRHFSA-N 1 0 424.501 3.738 20 5 HHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000441534723 984308729 /nfs/dbraw/zinc/30/87/29/984308729.db2.gz QXLULSHRXICWDW-VQTJNVASSA-N 1 0 409.534 3.585 20 5 HHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441659136 984379062 /nfs/dbraw/zinc/37/90/62/984379062.db2.gz OEMDHJUNEURRAU-JQVVWYNYSA-N 1 0 409.486 3.941 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1C ZINC000462327495 985317795 /nfs/dbraw/zinc/31/77/95/985317795.db2.gz OSXOJOSHZMKNSK-BEFAXECRSA-N 1 0 423.560 3.635 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000462348495 985337850 /nfs/dbraw/zinc/33/78/50/985337850.db2.gz PGIQYSGJGGOGLL-CYBMUJFWSA-N 1 0 422.334 3.541 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000462444085 985409767 /nfs/dbraw/zinc/40/97/67/985409767.db2.gz JLKXQICSUIFPLE-GOSISDBHSA-N 1 0 405.564 3.641 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000462557564 985505610 /nfs/dbraw/zinc/50/56/10/985505610.db2.gz VJRSRTBUBPTJJN-UKRRQHHQSA-N 1 0 404.385 3.592 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000462767305 985704638 /nfs/dbraw/zinc/70/46/38/985704638.db2.gz KXZGSQWGOUDISZ-GOSISDBHSA-N 1 0 411.502 3.759 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000462819420 985745005 /nfs/dbraw/zinc/74/50/05/985745005.db2.gz MJEZTYWZEFTCPA-JKSUJKDBSA-N 1 0 400.454 3.567 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000462819418 985745024 /nfs/dbraw/zinc/74/50/24/985745024.db2.gz MJEZTYWZEFTCPA-HOTGVXAUSA-N 1 0 400.454 3.567 20 5 HHBDRO COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000462874197 985798603 /nfs/dbraw/zinc/79/86/03/985798603.db2.gz MIJOXVUYHSPKGI-GOEBONIOSA-N 1 0 411.458 3.507 20 5 HHBDRO CNc1c(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000462925951 985859988 /nfs/dbraw/zinc/85/99/88/985859988.db2.gz NXEZVSMMDPMGKM-IBGZPJMESA-N 1 0 412.490 3.602 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000443661215 985861922 /nfs/dbraw/zinc/86/19/22/985861922.db2.gz SBQYZMNILWUWAR-HNNXBMFYSA-N 1 0 419.865 3.739 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443711004 985922530 /nfs/dbraw/zinc/92/25/30/985922530.db2.gz QMUUJTATLJUYSC-DYESRHJHSA-N 1 0 417.531 3.582 20 5 HHBDRO C[C@H]([NH2+]C1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCCC1)c1ccccc1 ZINC000443766196 985976609 /nfs/dbraw/zinc/97/66/09/985976609.db2.gz VYDAPPIXDSHHMB-KRWDZBQOSA-N 1 0 417.531 3.678 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@H](n3cccn3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000463034282 985993852 /nfs/dbraw/zinc/99/38/52/985993852.db2.gz MSAQCKHDMOTOEP-FQEVSTJZSA-N 1 0 408.458 3.826 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@](CO)(c4ccccc4)C3)o2)c([N+](=O)[O-])c1 ZINC000463035312 985994803 /nfs/dbraw/zinc/99/48/03/985994803.db2.gz GUMQOAPODZYYOJ-QHCPKHFHSA-N 1 0 408.454 3.999 20 5 HHBDRO CN(CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000463103786 986063724 /nfs/dbraw/zinc/06/37/24/986063724.db2.gz XPPXBUFJVSLOBI-FQEVSTJZSA-N 1 0 416.909 3.638 20 5 HHBDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000468384068 986084264 /nfs/dbraw/zinc/08/42/64/986084264.db2.gz MOMUUSXXTUZZHZ-KRWDZBQOSA-N 1 0 419.547 3.735 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000463189590 986160755 /nfs/dbraw/zinc/16/07/55/986160755.db2.gz AZJKKVXXHYCFGS-SMMRIJLZSA-N 1 0 419.522 3.584 20 5 HHBDRO COc1cc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000468484106 986181675 /nfs/dbraw/zinc/18/16/75/986181675.db2.gz PRODNYZMMXYZPO-DLBZAZTESA-N 1 0 402.438 3.929 20 5 HHBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444002870 986200143 /nfs/dbraw/zinc/20/01/43/986200143.db2.gz KUNVVMFSAASUFR-KBPBESRZSA-N 1 0 413.468 3.952 20 5 HHBDRO CCCC[NH+]1CCC(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000444014339 986208245 /nfs/dbraw/zinc/20/82/45/986208245.db2.gz PCZXODXXDATHEH-UHFFFAOYSA-N 1 0 413.468 3.954 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000444028053 986222680 /nfs/dbraw/zinc/22/26/80/986222680.db2.gz GKTCCOANPYPZDN-SFHVURJKSA-N 1 0 413.474 3.569 20 5 HHBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444130874 986323473 /nfs/dbraw/zinc/32/34/73/986323473.db2.gz WFVBBFJRZOVESM-AWEZNQCLSA-N 1 0 413.468 3.763 20 5 HHBDRO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000468679981 986390059 /nfs/dbraw/zinc/39/00/59/986390059.db2.gz AWBMEJQSNBAEIA-HNNXBMFYSA-N 1 0 404.854 3.544 20 5 HHBDRO COC[C@H]1CCCC[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000468693000 986406430 /nfs/dbraw/zinc/40/64/30/986406430.db2.gz GYGXDSYNCOBGPJ-ZDUSSCGKSA-N 1 0 406.401 3.793 20 5 HHBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C2)CC1 ZINC000444251043 986446230 /nfs/dbraw/zinc/44/62/30/986446230.db2.gz XRHBLSHDZQVMHE-INIZCTEOSA-N 1 0 407.489 3.624 20 5 HHBDRO COc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000444261973 986458883 /nfs/dbraw/zinc/45/88/83/986458883.db2.gz HWZDSUVWDGFJDB-HNNXBMFYSA-N 1 0 423.391 3.627 20 5 HHBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444334569 986512294 /nfs/dbraw/zinc/51/22/94/986512294.db2.gz HXSILUDDSMCADP-AWEZNQCLSA-N 1 0 413.468 3.954 20 5 HHBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000468882122 986589128 /nfs/dbraw/zinc/58/91/28/986589128.db2.gz HINUYPSOAOJHKF-IBGZPJMESA-N 1 0 405.520 3.567 20 5 HHBDRO CC1(C)C[C@@H]([NH2+]CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(C)(C)O1 ZINC000444637388 986823244 /nfs/dbraw/zinc/82/32/44/986823244.db2.gz PKZGXXIPYHSXMT-OAHLLOKOSA-N 1 0 404.492 3.593 20 5 HHBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000444766619 986926671 /nfs/dbraw/zinc/92/66/71/986926671.db2.gz MPKPYIBBPKZJMA-JQWIXIFHSA-N 1 0 401.282 3.509 20 5 HHBDRO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000444773531 986932281 /nfs/dbraw/zinc/93/22/81/986932281.db2.gz DVESDYNIZZXALJ-NRFANRHFSA-N 1 0 401.463 3.990 20 5 HHBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000469217238 986939820 /nfs/dbraw/zinc/93/98/20/986939820.db2.gz DXRKHQVKQGHUJW-QGZVFWFLSA-N 1 0 424.501 3.593 20 5 HHBDRO COc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[NH+]2CCCC2)cc1 ZINC000444894512 987043645 /nfs/dbraw/zinc/04/36/45/987043645.db2.gz ITGSKUCWPMAMPO-IBGZPJMESA-N 1 0 414.462 3.571 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[NH+]1CCCC1 ZINC000444920349 987068495 /nfs/dbraw/zinc/06/84/95/987068495.db2.gz KAEOBNMCLAURAV-GOSISDBHSA-N 1 0 414.462 3.571 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469452158 987138277 /nfs/dbraw/zinc/13/82/77/987138277.db2.gz KAQUSFYLAWXDGL-KRWDZBQOSA-N 1 0 406.429 3.567 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000469487208 987168271 /nfs/dbraw/zinc/16/82/71/987168271.db2.gz DUUBPQSNJIQGKL-QGZVFWFLSA-N 1 0 411.380 3.655 20 5 HHBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445184495 987265177 /nfs/dbraw/zinc/26/51/77/987265177.db2.gz FDOMKBPXCHJQMX-UHFFFAOYSA-N 1 0 415.493 3.552 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469771211 987422958 /nfs/dbraw/zinc/42/29/58/987422958.db2.gz YMHMKPRNTCRYTM-CYGODWOOSA-N 1 0 410.518 3.588 20 5 HHBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470135570 988040968 /nfs/dbraw/zinc/04/09/68/988040968.db2.gz YKEJMQISLDNUFY-UHFFFAOYSA-N 1 0 401.442 3.899 20 5 HHBDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000470142589 988049350 /nfs/dbraw/zinc/04/93/50/988049350.db2.gz SRUFLIUQPNKFQF-INIZCTEOSA-N 1 0 419.909 3.929 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000470179110 988095509 /nfs/dbraw/zinc/09/55/09/988095509.db2.gz SEWAHDRPFIIHSK-XDHOZWIPSA-N 1 0 406.486 3.737 20 5 HHBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000464547882 988724561 /nfs/dbraw/zinc/72/45/61/988724561.db2.gz JTQCZCGOECCIRG-OTWHNJEPSA-N 1 0 416.566 3.881 20 5 HHBDRO CN(c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470872905 988941510 /nfs/dbraw/zinc/94/15/10/988941510.db2.gz LOAPTUWUKLNKNL-NRFANRHFSA-N 1 0 422.529 3.932 20 5 HHBDRO CC[N@H+](C)C[C@@H]1CCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000464788804 989019238 /nfs/dbraw/zinc/01/92/38/989019238.db2.gz BZXKJTPUHCIFCR-AVRDEDQJSA-N 1 0 410.518 3.857 20 5 HHBDRO Cc1c(NC(=O)CCN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000464829390 989067850 /nfs/dbraw/zinc/06/78/50/989067850.db2.gz IXPJBVMMSSJWNI-GOSISDBHSA-N 1 0 410.518 3.828 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCCO)[C@H]3CCCc4ccccc43)o2)cc1 ZINC000471025664 989097013 /nfs/dbraw/zinc/09/70/13/989097013.db2.gz OBHJKUJJHUAXPF-FQEVSTJZSA-N 1 0 408.458 3.907 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000471118273 989223134 /nfs/dbraw/zinc/22/31/34/989223134.db2.gz CHLDBYFWHGCWOL-UHFFFAOYSA-N 1 0 416.400 3.530 20 5 HHBDRO Cc1ccc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1[N+](=O)[O-] ZINC000471119834 989224818 /nfs/dbraw/zinc/22/48/18/989224818.db2.gz ADUFJKHJTGHEOV-UHFFFAOYSA-N 1 0 400.401 3.830 20 5 HHBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471169416 989295110 /nfs/dbraw/zinc/29/51/10/989295110.db2.gz NSPMCHHAKYHGAL-QGZVFWFLSA-N 1 0 402.882 3.788 20 5 HHBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000465252712 989603780 /nfs/dbraw/zinc/60/37/80/989603780.db2.gz JVXPRTWBEFXKDS-UHFFFAOYSA-N 1 0 405.520 3.773 20 5 HHBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000465278015 989635981 /nfs/dbraw/zinc/63/59/81/989635981.db2.gz RONXHDCIIPVABC-ZWKOTPCHSA-N 1 0 402.539 3.539 20 5 HHBDRO C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000471528205 989728245 /nfs/dbraw/zinc/72/82/45/989728245.db2.gz LKONCYOPBGQQMU-VBKZILBWSA-N 1 0 405.882 3.825 20 5 HHBDRO COc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000471557915 989758385 /nfs/dbraw/zinc/75/83/85/989758385.db2.gz YLTPINLQCJHJTO-SGTLLEGYSA-N 1 0 423.416 3.626 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000465532066 989892110 /nfs/dbraw/zinc/89/21/10/989892110.db2.gz DAFPKHHUQSBECL-QZTJIDSGSA-N 1 0 418.538 3.516 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465589177 989966075 /nfs/dbraw/zinc/96/60/75/989966075.db2.gz BYPFFEUHXSEJRB-GOSISDBHSA-N 1 0 418.538 3.802 20 5 HHBDRO COc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000465709875 990095207 /nfs/dbraw/zinc/09/52/07/990095207.db2.gz OSONCJIRKDHBGI-DNVCBOLYSA-N 1 0 418.519 3.547 20 5 HHBDRO O=C(NCCCCC[NH+]1CCCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465949125 991089430 /nfs/dbraw/zinc/08/94/30/991089430.db2.gz DIRTUUMMLLIOQH-UHFFFAOYSA-N 1 0 418.538 3.804 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000466080942 991257072 /nfs/dbraw/zinc/25/70/72/991257072.db2.gz RXXAJWOTUGLMMV-UGSOOPFHSA-N 1 0 404.492 3.870 20 5 HHBDRO C[C@H]1C[C@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000466147802 991330498 /nfs/dbraw/zinc/33/04/98/991330498.db2.gz RDXGVXHZDAFWHD-GHTZIAJQSA-N 1 0 410.518 3.832 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000466207654 991412709 /nfs/dbraw/zinc/41/27/09/991412709.db2.gz VRJZFRGMCRBOCD-SFHVURJKSA-N 1 0 402.882 3.712 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000466392490 991682552 /nfs/dbraw/zinc/68/25/52/991682552.db2.gz QUHQVGKNRVYXFC-QINSGFPZSA-N 1 0 423.922 3.610 20 5 HHBDRO Cc1ccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000466451017 991741794 /nfs/dbraw/zinc/74/17/94/991741794.db2.gz CNDHDUCGRXDCJT-MRXNPFEDSA-N 1 0 407.392 3.813 20 5 HHBDRO COC[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000467123023 992437298 /nfs/dbraw/zinc/43/72/98/992437298.db2.gz UNHYWGZNSDGDBB-CABCVRRESA-N 1 0 418.519 3.794 20 5 HHBDRO CCS(=O)(=O)c1cccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000467412063 992716085 /nfs/dbraw/zinc/71/60/85/992716085.db2.gz GMDISZUEZJHJFA-XLIONFOSSA-N 1 0 402.516 3.889 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C[N@@H+]1Cc1ccccc1 ZINC000467696045 992952619 /nfs/dbraw/zinc/95/26/19/992952619.db2.gz SVWQCPCKDPDADS-HIFRSBDPSA-N 1 0 418.291 3.750 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000472284612 993302245 /nfs/dbraw/zinc/30/22/45/993302245.db2.gz ZGHSMDQARJLUNJ-HXUWFJFHSA-N 1 0 424.501 3.516 20 5 HHBDRO CCN(CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)S(C)(=O)=O ZINC000480892757 993751852 /nfs/dbraw/zinc/75/18/52/993751852.db2.gz ZJIRCENIZKJNFB-AWEZNQCLSA-N 1 0 411.549 3.646 20 5 HHBDRO Cc1c([C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000480913234 993768686 /nfs/dbraw/zinc/76/86/86/993768686.db2.gz WBNHCOCOMQBLEU-ZDUSSCGKSA-N 1 0 406.280 3.746 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000480987139 993828804 /nfs/dbraw/zinc/82/88/04/993828804.db2.gz GJOXDVRPXRTFFG-QFBILLFUSA-N 1 0 417.531 3.543 20 5 HHBDRO Cc1csc(NC2CC[NH+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000473065377 993986266 /nfs/dbraw/zinc/98/62/66/993986266.db2.gz NSXFCXXCLAWKKJ-UHFFFAOYSA-N 1 0 412.519 3.837 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000481185214 994016298 /nfs/dbraw/zinc/01/62/98/994016298.db2.gz WJBBUPMJBGZGTJ-UZLBHIALSA-N 1 0 407.474 3.645 20 5 HHBDRO O=C(C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000481193317 994026920 /nfs/dbraw/zinc/02/69/20/994026920.db2.gz SDZFZKIJXWIPEU-DLBZAZTESA-N 1 0 411.458 3.653 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000473283643 994132413 /nfs/dbraw/zinc/13/24/13/994132413.db2.gz OISBVTRLFBCLRY-HOTGVXAUSA-N 1 0 406.486 3.963 20 5 HHBDRO COC(=O)[C@H]1CCCCCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000481401281 994234302 /nfs/dbraw/zinc/23/43/02/994234302.db2.gz IXDKOCVYQWZPQU-ZWKOTPCHSA-N 1 0 401.463 3.894 20 5 HHBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000481445148 994281652 /nfs/dbraw/zinc/28/16/52/994281652.db2.gz QJOUOFWPKQDKFA-ZUOKHONESA-N 1 0 403.866 3.503 20 5 HHBDRO COc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccc1[N+](=O)[O-] ZINC000473495716 994341003 /nfs/dbraw/zinc/34/10/03/994341003.db2.gz CIONVTZGZWBBRA-QHCPKHFHSA-N 1 0 409.486 3.732 20 5 HHBDRO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000481516439 994346338 /nfs/dbraw/zinc/34/63/38/994346338.db2.gz NBVIVDNLHYWCKV-SIIHOXLZSA-N 1 0 418.519 3.528 20 5 HHBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481673771 994533984 /nfs/dbraw/zinc/53/39/84/994533984.db2.gz UCZFBWIPRZNBNN-SJKOYZFVSA-N 1 0 411.911 3.958 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000481770185 994620966 /nfs/dbraw/zinc/62/09/66/994620966.db2.gz MRUWNGOMNCGAPR-OAHLLOKOSA-N 1 0 407.474 3.633 20 5 HHBDRO Cc1cc(NC(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000473779945 994702088 /nfs/dbraw/zinc/70/20/88/994702088.db2.gz GUXONYQFVYECOD-UHFFFAOYSA-N 1 0 417.554 3.563 20 5 HHBDRO CC[NH+]1CCN(c2cccc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000473828867 994759612 /nfs/dbraw/zinc/75/96/12/994759612.db2.gz LAJQNVNWBDMCKA-UHFFFAOYSA-N 1 0 411.506 3.794 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000473941044 994915570 /nfs/dbraw/zinc/91/55/70/994915570.db2.gz BFMVMVHPHLZRJD-OEWRPIJISA-N 1 0 410.518 3.593 20 5 HHBDRO COc1cccc([C@H]2[C@H](NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC[N@@H+]2C2CC2)c1 ZINC000482077526 995013779 /nfs/dbraw/zinc/01/37/79/995013779.db2.gz FRNUHDCIYMGVKN-KNQAVFIVSA-N 1 0 420.469 3.793 20 5 HHBDRO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482280479 995259750 /nfs/dbraw/zinc/25/97/50/995259750.db2.gz BPGFCKZWWRPSAW-NHCUHLMSSA-N 1 0 408.502 3.791 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000474363626 995344068 /nfs/dbraw/zinc/34/40/68/995344068.db2.gz VYGGVWQRYALBTB-MRXNPFEDSA-N 1 0 413.474 3.598 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000482990839 995905545 /nfs/dbraw/zinc/90/55/45/995905545.db2.gz WLLQSVHCGWKLMG-LBPRGKRZSA-N 1 0 407.268 3.740 20 5 HHBDRO CC[NH+]1CCN(c2cccc(N[C@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000475091732 995916718 /nfs/dbraw/zinc/91/67/18/995916718.db2.gz SMMHMFVOVLKURB-QGZVFWFLSA-N 1 0 411.506 3.566 20 5 HHBDRO NC(=O)CC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCC1 ZINC000475113009 995930158 /nfs/dbraw/zinc/93/01/58/995930158.db2.gz XSSPMXXUFXNGTF-UHFFFAOYSA-N 1 0 408.252 3.505 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000483213816 996041211 /nfs/dbraw/zinc/04/12/11/996041211.db2.gz ODPUWOSKIVPHCJ-NUJGCVRESA-N 1 0 421.563 3.811 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000483215862 996042654 /nfs/dbraw/zinc/04/26/54/996042654.db2.gz UGLVZLQXVCWIMT-SFHVURJKSA-N 1 0 421.494 3.505 20 5 HHBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475297743 996053481 /nfs/dbraw/zinc/05/34/81/996053481.db2.gz DLRPPXYHJILQFJ-INIZCTEOSA-N 1 0 418.291 3.704 20 5 HHBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000475422833 996128190 /nfs/dbraw/zinc/12/81/90/996128190.db2.gz GZHPMXXKYSGGJO-UHFFFAOYSA-N 1 0 410.879 3.707 20 5 HHBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000483589146 996270020 /nfs/dbraw/zinc/27/00/20/996270020.db2.gz HQLSQITXVSOENO-PZJWPPBQSA-N 1 0 408.502 3.763 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@]3(CO)Cc3ccccc3)o2)c1 ZINC000475647400 996275375 /nfs/dbraw/zinc/27/53/75/996275375.db2.gz DUQBTGUGGOHFLG-HSZRJFAPSA-N 1 0 407.470 3.862 20 5 HHBDRO COC(=O)c1cc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(C)c([N+](=O)[O-])c1 ZINC000483597144 996276226 /nfs/dbraw/zinc/27/62/26/996276226.db2.gz ZABDPKFGSJMDES-LIRRHRJNSA-N 1 0 414.462 3.503 20 5 HHBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000483709185 996341824 /nfs/dbraw/zinc/34/18/24/996341824.db2.gz IQSFECOUAJYKPP-SRCQZFHVSA-N 1 0 404.492 3.593 20 5 HHBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000484310395 996694572 /nfs/dbraw/zinc/69/45/72/996694572.db2.gz RLNOURSVEGAQNZ-UHFFFAOYSA-N 1 0 411.506 3.509 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000484320642 996701196 /nfs/dbraw/zinc/70/11/96/996701196.db2.gz YANMBZXHHSQQGB-YWZLYKJASA-N 1 0 409.552 3.574 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 ZINC000484382730 996739770 /nfs/dbraw/zinc/73/97/70/996739770.db2.gz GYXISANIMOHGLT-AWEZNQCLSA-N 1 0 402.882 3.542 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000484487337 996809539 /nfs/dbraw/zinc/80/95/39/996809539.db2.gz IPBXZUZLGJSVKR-UHFFFAOYSA-N 1 0 409.577 3.798 20 5 HHBDRO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000484656937 996994645 /nfs/dbraw/zinc/99/46/45/996994645.db2.gz UCNNZVCVSPUOFK-FBBABVLZSA-N 1 0 400.475 3.623 20 5 HHBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000484866276 997230920 /nfs/dbraw/zinc/23/09/20/997230920.db2.gz RQLWMZOCEIFULH-UHFFFAOYSA-N 1 0 405.458 3.671 20 5 HHBDRO CCOc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000484940849 997316822 /nfs/dbraw/zinc/31/68/22/997316822.db2.gz SICFRSYQEOTSGZ-VQTJNVASSA-N 1 0 409.486 3.588 20 5 HHBDRO CC1CC[NH+]([C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c2cccs2)CC1 ZINC000485037083 997401665 /nfs/dbraw/zinc/40/16/65/997401665.db2.gz XWWRCXRTOAFRQX-MRXNPFEDSA-N 1 0 417.487 3.588 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000476981118 997601470 /nfs/dbraw/zinc/60/14/70/997601470.db2.gz NJYXNZDXYSJSSQ-VBKZILBWSA-N 1 0 420.872 3.608 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(=Cc3cc(Cl)ccc3Cl)CC2)c1 ZINC000476994092 997621636 /nfs/dbraw/zinc/62/16/36/997621636.db2.gz UBVYTTCFTCBXNC-KRWDZBQOSA-N 1 0 411.289 3.638 20 5 HHBDRO O=C(CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)Nc1ccccc1[N+](=O)[O-] ZINC000477069149 997717910 /nfs/dbraw/zinc/71/79/10/997717910.db2.gz AYTVSTRUBVDIJG-HSZRJFAPSA-N 1 0 408.502 3.521 20 5 HHBDRO Cc1cc(S(=O)(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000477113319 997767373 /nfs/dbraw/zinc/76/73/73/997767373.db2.gz SRSHJTLWHPPBNJ-QGZVFWFLSA-N 1 0 409.552 3.568 20 5 HHBDRO Cn1c(Sc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)nnc1C1CC[NH2+]CC1 ZINC000485405397 997837316 /nfs/dbraw/zinc/83/73/16/997837316.db2.gz ZETIRQUXOLINAI-UHFFFAOYSA-N 1 0 414.466 3.543 20 5 HHBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCC3)CCOCC2)nc1-c1ccc(F)cc1 ZINC000485417016 997850883 /nfs/dbraw/zinc/85/08/83/997850883.db2.gz LQHSJSWPPBVYPZ-UHFFFAOYSA-N 1 0 400.454 3.853 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000485459147 997902828 /nfs/dbraw/zinc/90/28/28/997902828.db2.gz WKQBHIUWTUTZHH-ZBFHGGJFSA-N 1 0 419.428 3.979 20 5 HHBDRO CC1(C)CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000477310152 997998448 /nfs/dbraw/zinc/99/84/48/997998448.db2.gz RXRCWHJWGDFWOM-UHFFFAOYSA-N 1 0 402.882 3.684 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000485549915 998004348 /nfs/dbraw/zinc/00/43/48/998004348.db2.gz LWDCVLPUHZYFGK-ZDUSSCGKSA-N 1 0 420.416 3.547 20 5 HHBDRO COc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C2CCC(O)CC2)c1 ZINC000485571008 998019902 /nfs/dbraw/zinc/01/99/02/998019902.db2.gz QRGPBNYMPNYSCV-UHFFFAOYSA-N 1 0 400.475 3.918 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000485580529 998029396 /nfs/dbraw/zinc/02/93/96/998029396.db2.gz PHUZPBBPWWIAJR-ZFWWWQNUSA-N 1 0 405.401 3.589 20 5 HHBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485632345 998077293 /nfs/dbraw/zinc/07/72/93/998077293.db2.gz RODJPWTUFLQMIS-MRXNPFEDSA-N 1 0 405.401 3.591 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)[NH+]2CCCCC2)cc1 ZINC000477475988 998196544 /nfs/dbraw/zinc/19/65/44/998196544.db2.gz DGMUQLPCZXOCDR-OAQYLSRUSA-N 1 0 415.465 3.628 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)c2cccc(SC)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000485748103 998219058 /nfs/dbraw/zinc/21/90/58/998219058.db2.gz ITAPBSAEEHWSGG-GOSISDBHSA-N 1 0 415.515 3.892 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000477544229 998262556 /nfs/dbraw/zinc/26/25/56/998262556.db2.gz UXSXXRHGUIJNCV-UHFFFAOYSA-N 1 0 409.364 3.840 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000477725175 998454866 /nfs/dbraw/zinc/45/48/66/998454866.db2.gz XZOJCLNBOYEPOQ-UHFFFAOYSA-N 1 0 408.458 3.533 20 5 HHBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000486063086 998510958 /nfs/dbraw/zinc/51/09/58/998510958.db2.gz HZSKNJFCAPYCJG-YXJHDRRASA-N 1 0 406.504 3.794 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000486300800 998702608 /nfs/dbraw/zinc/70/26/08/998702608.db2.gz VAALPIALYZLJJM-BEFAXECRSA-N 1 0 416.909 3.925 20 5 HHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478037921 998728099 /nfs/dbraw/zinc/72/80/99/998728099.db2.gz BMKJHNLXCPZVBB-QZTJIDSGSA-N 1 0 402.539 3.898 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478050796 998736551 /nfs/dbraw/zinc/73/65/51/998736551.db2.gz AEDPZBQOIBFQGT-SFHVURJKSA-N 1 0 402.539 3.818 20 5 HHBDRO COC(=O)c1cnc(NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000478284329 998864283 /nfs/dbraw/zinc/86/42/83/998864283.db2.gz IYLOMBRSHDAGHE-HZPDHXFCSA-N 1 0 412.490 3.866 20 5 HHBDRO COc1ccc([C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2C)[NH+]2CCCC2)cc1 ZINC000478444055 998962089 /nfs/dbraw/zinc/96/20/89/998962089.db2.gz LLZCSQJFHTWWLN-NRFANRHFSA-N 1 0 412.490 3.548 20 5 HHBDRO COc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)ccc1[N+](=O)[O-] ZINC000486841147 998966900 /nfs/dbraw/zinc/96/69/00/998966900.db2.gz OPWICKNHDCMIJM-VGOFRKELSA-N 1 0 421.457 3.602 20 5 HHBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000478507254 999000066 /nfs/dbraw/zinc/00/00/66/999000066.db2.gz LGBRTDRIAMCQCC-UHFFFAOYSA-N 1 0 410.312 3.742 20 5 HHBDRO COc1cc(C(=O)Nc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000478675439 999082898 /nfs/dbraw/zinc/08/28/98/999082898.db2.gz IPIVETHLNPRDSJ-GASCZTMLSA-N 1 0 413.474 3.773 20 5 HHBDRO C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487386645 999155729 /nfs/dbraw/zinc/15/57/29/999155729.db2.gz GYCAFOFQADOUQZ-FXAWDEMLSA-N 1 0 406.486 3.576 20 5 HHBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000487749672 999276400 /nfs/dbraw/zinc/27/64/00/999276400.db2.gz LUZUIQCMVFRMBB-HXUWFJFHSA-N 1 0 417.513 3.540 20 5 HHBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487873761 999300795 /nfs/dbraw/zinc/30/07/95/999300795.db2.gz MCGWCZMOGDRYJV-KRWDZBQOSA-N 1 0 400.523 3.897 20 5 HHBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487910106 999312302 /nfs/dbraw/zinc/31/23/02/999312302.db2.gz GGFXWSFTCBQHBO-GOSISDBHSA-N 1 0 411.506 3.509 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000488011135 999347565 /nfs/dbraw/zinc/34/75/65/999347565.db2.gz XSWVJGCQTFSUJC-PKOBYXMFSA-N 1 0 402.882 3.535 20 5 HHBDRO COc1ccc(CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000479434840 999415399 /nfs/dbraw/zinc/41/53/99/999415399.db2.gz FPVFGPXQNFGGHU-QGZVFWFLSA-N 1 0 418.538 3.790 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(c4nnc5ccccn54)CC3)o2)c1 ZINC000488271766 999418443 /nfs/dbraw/zinc/41/84/43/999418443.db2.gz IZHHMALOSATIAP-UHFFFAOYSA-N 1 0 418.457 3.715 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000488281829 999422402 /nfs/dbraw/zinc/42/24/02/999422402.db2.gz PMJIGPUDNLTTEM-UHFFFAOYSA-N 1 0 416.503 3.849 20 5 HHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)n1 ZINC000479481113 999436120 /nfs/dbraw/zinc/43/61/20/999436120.db2.gz QUBUELNYRXBHHH-BACDZXNISA-N 1 0 415.460 3.670 20 5 HHBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000479539612 999467617 /nfs/dbraw/zinc/46/76/17/999467617.db2.gz DQCHBWNJBNVTSQ-KSZLIROESA-N 1 0 416.566 3.879 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000488459539 999492877 /nfs/dbraw/zinc/49/28/77/999492877.db2.gz GIRZABJXOSQDGZ-OXJNMPFZSA-N 1 0 408.502 3.810 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cccc(N4CCOCC4)n3)s2)cc1 ZINC000479608403 999498873 /nfs/dbraw/zinc/49/88/73/999498873.db2.gz VRZVIYACPBQSGW-UHFFFAOYSA-N 1 0 410.499 3.845 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000488520463 999516089 /nfs/dbraw/zinc/51/60/89/999516089.db2.gz VSPXOVSLDIYQCI-RXVVDRJESA-N 1 0 422.529 3.835 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)c([N+](=O)[O-])cc1O ZINC000479877670 999633590 /nfs/dbraw/zinc/63/35/90/999633590.db2.gz WYPYFGVUADPHST-ZDUSSCGKSA-N 1 0 411.380 3.696 20 5 HHBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489874596 999852969 /nfs/dbraw/zinc/85/29/69/999852969.db2.gz WDTNAAXWNKOZNW-UHFFFAOYSA-N 1 0 422.529 3.976 20 5 HHBDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1)CC1CC1 ZINC000480683177 999858203 /nfs/dbraw/zinc/85/82/03/999858203.db2.gz QEEAOTCOCBMMAH-UHFFFAOYSA-N 1 0 423.579 3.734 20 5 HHBDRO COc1cc(N[C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000490048659 999884975 /nfs/dbraw/zinc/88/49/75/999884975.db2.gz LUUOILCTCVNVKS-MRXNPFEDSA-N 1 0 401.463 3.567 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000490132914 999898128 /nfs/dbraw/zinc/89/81/28/999898128.db2.gz MVBGKRMSEXMOHD-FQEVSTJZSA-N 1 0 407.474 3.956 20 5 HHBDRO O=[N+]([O-])c1cccc([C@H](NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccccc2)c1 ZINC000490191431 999908048 /nfs/dbraw/zinc/90/80/48/999908048.db2.gz SKTFCXIIJJBZCN-JWQCQUIFSA-N 1 0 417.509 3.693 20 5 HHBDRO C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+](C2CCC2)C1 ZINC000490374129 999947117 /nfs/dbraw/zinc/94/71/17/999947117.db2.gz FFHBJNJRDHWPIO-ZDUSSCGKSA-N 1 0 414.428 3.629 20 5 HHBDRO COc1cc(CNCC2([NH+](C)C)CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491067403 1000041794 /nfs/dbraw/zinc/04/17/94/1000041794.db2.gz QGLNYTQYOMFJFE-UHFFFAOYSA-N 1 0 401.454 3.601 20 5 HHBDRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000491860581 1000098205 /nfs/dbraw/zinc/09/82/05/1000098205.db2.gz BRVTXTUOZBBOBT-UHFFFAOYSA-N 1 0 414.293 3.609 20 5 HHBDRO CCOc1cc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492786592 1000144062 /nfs/dbraw/zinc/14/40/62/1000144062.db2.gz AZJQPIJLYFZQLJ-UHFFFAOYSA-N 1 0 411.502 3.830 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)cc2[N+](=O)[O-])n1 ZINC000493343311 1000169677 /nfs/dbraw/zinc/16/96/77/1000169677.db2.gz FFHHTVNHOXHOEU-XJKSGUPXSA-N 1 0 418.544 3.677 20 5 HHBDRO COc1cc(CN[C@@H]2CC[N@H+](CC3CCCC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493669916 1000184159 /nfs/dbraw/zinc/18/41/59/1000184159.db2.gz QCYQLQHOSBEENQ-MRXNPFEDSA-N 1 0 413.465 3.601 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000493924065 1000216771 /nfs/dbraw/zinc/21/67/71/1000216771.db2.gz GLXWVKRJSCQJPS-OYYNGEPBSA-N 1 0 405.401 3.628 20 5 HHBDRO O=C(C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000493932505 1000222223 /nfs/dbraw/zinc/22/22/23/1000222223.db2.gz BXUQTWSJTUZHEY-WMZOPIPTSA-N 1 0 411.792 3.585 20 5 HHBDRO C[NH+](C)Cc1ccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000494207657 1000362934 /nfs/dbraw/zinc/36/29/34/1000362934.db2.gz FVPQPTXIBYHGKL-UHFFFAOYSA-N 1 0 410.396 3.675 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cc1ccccc1 ZINC000494211884 1000365702 /nfs/dbraw/zinc/36/57/02/1000365702.db2.gz JBZNAJJWTRNIJS-SFHVURJKSA-N 1 0 424.423 3.586 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000504905505 1000439648 /nfs/dbraw/zinc/43/96/48/1000439648.db2.gz JMIZQWIRNRAEBB-ZBFHGGJFSA-N 1 0 423.560 3.724 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc(C(=O)N(C)C)c1 ZINC000504920364 1000448924 /nfs/dbraw/zinc/44/89/24/1000448924.db2.gz OAKWUZDBXKNSIQ-SFHVURJKSA-N 1 0 401.532 4.000 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504919952 1000449003 /nfs/dbraw/zinc/44/90/03/1000449003.db2.gz LXUWUBGKOWZQMV-IIBYNOLFSA-N 1 0 417.481 3.857 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1[N+](=O)[O-] ZINC000504925822 1000452117 /nfs/dbraw/zinc/45/21/17/1000452117.db2.gz FONAZMTUZKQCMS-DZFGPLHGSA-N 1 0 413.518 3.527 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000494443949 1000495018 /nfs/dbraw/zinc/49/50/18/1000495018.db2.gz YFHJTCQWMOONSS-INIZCTEOSA-N 1 0 414.481 3.675 20 5 HHBDRO O=C1[C@H]([NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000494492782 1000522282 /nfs/dbraw/zinc/52/22/82/1000522282.db2.gz MGKBZHVVVNHLAR-IPMKNSEASA-N 1 0 419.840 3.612 20 5 HHBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494495179 1000523567 /nfs/dbraw/zinc/52/35/67/1000523567.db2.gz MKZPJCSEPWVLNK-UZCIPKQKSA-N 1 0 407.829 3.834 20 5 HHBDRO COc1ccc(OCC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000494515078 1000534239 /nfs/dbraw/zinc/53/42/39/1000534239.db2.gz XTFRCWUGUUFJBH-VQIMIIECSA-N 1 0 410.829 3.895 20 5 HHBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000494680248 1000600483 /nfs/dbraw/zinc/60/04/83/1000600483.db2.gz MRLKULAXOCLJOP-IAGOWNOFSA-N 1 0 400.422 3.685 20 5 HHBDRO C[N@H+](C[C@@H]1CCOC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000494964333 1000755416 /nfs/dbraw/zinc/75/54/16/1000755416.db2.gz OLACKJRMUCZERC-LIRRHRJNSA-N 1 0 403.866 3.896 20 5 HHBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000495056012 1000803067 /nfs/dbraw/zinc/80/30/67/1000803067.db2.gz LXWHZMBLEDYUPR-UHFFFAOYSA-N 1 0 407.474 3.551 20 5 HHBDRO COc1cc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000495105350 1000843824 /nfs/dbraw/zinc/84/38/24/1000843824.db2.gz BNDKHKHHJOBKHF-PZJWPPBQSA-N 1 0 411.502 3.708 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2CCO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000495182024 1000904619 /nfs/dbraw/zinc/90/46/19/1000904619.db2.gz FRENLURKRCWUHD-ICSRJNTNSA-N 1 0 400.475 3.823 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000505575234 1000915458 /nfs/dbraw/zinc/91/54/58/1000915458.db2.gz QIEFXRAHHNXSLQ-MGPUTAFESA-N 1 0 417.531 3.755 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000505575233 1000915543 /nfs/dbraw/zinc/91/55/43/1000915543.db2.gz QIEFXRAHHNXSLQ-FOIQADDNSA-N 1 0 417.531 3.755 20 5 HHBDRO C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000505582559 1000919695 /nfs/dbraw/zinc/91/96/95/1000919695.db2.gz VMEYNRZFMVZGAE-SJCJKPOMSA-N 1 0 406.280 3.779 20 5 HHBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000495230856 1000925921 /nfs/dbraw/zinc/92/59/21/1000925921.db2.gz NIKYWPOIIYFQGK-HNNXBMFYSA-N 1 0 402.417 3.677 20 5 HHBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)C2)C1 ZINC000505607961 1000931972 /nfs/dbraw/zinc/93/19/72/1000931972.db2.gz NOKNBTZECFZMGD-QHCPKHFHSA-N 1 0 411.452 3.517 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1SC ZINC000505639454 1000949168 /nfs/dbraw/zinc/94/91/68/1000949168.db2.gz YUHUDMMHDZBMRS-YJYMSZOUSA-N 1 0 403.504 3.747 20 5 HHBDRO CC(C)[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000495335805 1000972457 /nfs/dbraw/zinc/97/24/57/1000972457.db2.gz BKDRXGABKVASAN-NRFANRHFSA-N 1 0 406.486 3.889 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000495408973 1001002479 /nfs/dbraw/zinc/00/24/79/1001002479.db2.gz VFRLCRBQNZAMJG-CALCHBBNSA-N 1 0 423.579 3.962 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CC2CC[NH+](C)CC2)cc1 ZINC000505767518 1001012963 /nfs/dbraw/zinc/01/29/63/1001012963.db2.gz SYWXRQRLCXLFIN-UHFFFAOYSA-N 1 0 413.474 3.810 20 5 HHBDRO CCOc1cc(C[NH+]2CCC(C)CC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000505890895 1001083667 /nfs/dbraw/zinc/08/36/67/1001083667.db2.gz GKWXLXVDTQQUPX-UHFFFAOYSA-N 1 0 402.495 3.809 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000505919533 1001101571 /nfs/dbraw/zinc/10/15/71/1001101571.db2.gz SFCCYCARFIGEMH-MSOLQXFVSA-N 1 0 411.506 3.507 20 5 HHBDRO CCOc1cc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])cc1OC ZINC000505946229 1001119224 /nfs/dbraw/zinc/11/92/24/1001119224.db2.gz FUQMKVCVIHQTPW-SJORKVTESA-N 1 0 419.522 3.729 20 5 HHBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000496270157 1001150695 /nfs/dbraw/zinc/15/06/95/1001150695.db2.gz CRTYAOOSLKMEHH-UHFFFAOYSA-N 1 0 401.463 3.810 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000506000220 1001154144 /nfs/dbraw/zinc/15/41/44/1001154144.db2.gz YAYWPCZFTUQLHA-NRFANRHFSA-N 1 0 421.501 3.808 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[NH+]1CCCC1 ZINC000496448008 1001178556 /nfs/dbraw/zinc/17/85/56/1001178556.db2.gz PCGSFXYWBIXBIU-NRFANRHFSA-N 1 0 422.485 3.511 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000496644331 1001209214 /nfs/dbraw/zinc/20/92/14/1001209214.db2.gz TYUBUQOJORPQQC-UYAOXDASSA-N 1 0 415.515 3.509 20 5 HHBDRO CCOc1cc(C[N@H+](C)C2CCCC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000506258817 1001313159 /nfs/dbraw/zinc/31/31/59/1001313159.db2.gz KYANHFJMNHQUQT-UHFFFAOYSA-N 1 0 402.495 3.952 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000506448589 1001417621 /nfs/dbraw/zinc/41/76/21/1001417621.db2.gz TVOCTCFJAIJGRY-SQNIBIBYSA-N 1 0 418.538 3.517 20 5 HHBDRO Cc1c(NC(=O)CCN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506482371 1001433322 /nfs/dbraw/zinc/43/33/22/1001433322.db2.gz SPQXFGGJRFAQKH-PKOBYXMFSA-N 1 0 402.539 3.818 20 5 HHBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497600139 1001454019 /nfs/dbraw/zinc/45/40/19/1001454019.db2.gz SUZIWUHQLBJDSM-UHFFFAOYSA-N 1 0 417.553 3.926 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497603172 1001455230 /nfs/dbraw/zinc/45/52/30/1001455230.db2.gz YAXNVQXDUQVWOD-UHFFFAOYSA-N 1 0 424.339 3.671 20 5 HHBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c1 ZINC000497661444 1001476179 /nfs/dbraw/zinc/47/61/79/1001476179.db2.gz SLZIHSBZFPAXGI-UHFFFAOYSA-N 1 0 403.504 3.773 20 5 HHBDRO O=C(NC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1)C1CC1 ZINC000506645141 1001481207 /nfs/dbraw/zinc/48/12/07/1001481207.db2.gz HNTFPTPYTRMXOY-UHFFFAOYSA-N 1 0 403.866 3.999 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[NH+]2CCCC2)c1 ZINC000497765192 1001508310 /nfs/dbraw/zinc/50/83/10/1001508310.db2.gz ZWKILRTVZRBHII-OAQYLSRUSA-N 1 0 420.469 3.719 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000497981941 1001589629 /nfs/dbraw/zinc/58/96/29/1001589629.db2.gz HBMCDHXWQVSCTG-FXAWDEMLSA-N 1 0 417.531 3.749 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CC[NH+](C4CCCC4)CC3)cc2[N+](=O)[O-])CC1 ZINC000498233949 1001720971 /nfs/dbraw/zinc/72/09/71/1001720971.db2.gz YDBSZNQQOYBISR-UHFFFAOYSA-N 1 0 400.523 3.532 20 5 HHBDRO COc1cccc([C@@H]2[C@@H](NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000498292100 1001760844 /nfs/dbraw/zinc/76/08/44/1001760844.db2.gz UTDATRZWKUCFCU-RBBKRZOGSA-N 1 0 423.513 3.975 20 5 HHBDRO CN1CCO[C@H]([C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000498352937 1001790884 /nfs/dbraw/zinc/79/08/84/1001790884.db2.gz JLYKACSNTWUCMK-RUKUNBKWSA-N 1 0 401.894 3.923 20 5 HHBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000507229544 1001916571 /nfs/dbraw/zinc/91/65/71/1001916571.db2.gz MRTLKCBRHXCTMQ-LLVKDONJSA-N 1 0 418.302 3.531 20 5 HHBDRO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000498506648 1001929221 /nfs/dbraw/zinc/92/92/21/1001929221.db2.gz QBGJQMILAZOVQX-HNNXBMFYSA-N 1 0 411.930 3.986 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507253449 1001936542 /nfs/dbraw/zinc/93/65/42/1001936542.db2.gz ONCBAFWQKUBFJZ-UHFFFAOYSA-N 1 0 400.454 3.947 20 5 HHBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498555423 1001971128 /nfs/dbraw/zinc/97/11/28/1001971128.db2.gz QBPAUJQNJSHLEC-IKGGRYGDSA-N 1 0 411.506 3.718 20 5 HHBDRO CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000498630251 1002031328 /nfs/dbraw/zinc/03/13/28/1002031328.db2.gz CZYJBGBWYCXVII-UHFFFAOYSA-N 1 0 420.469 3.894 20 5 HHBDRO Cc1ccc(S(=O)(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000507411476 1002057126 /nfs/dbraw/zinc/05/71/26/1002057126.db2.gz XUIRXIDMHBYWHY-KRWDZBQOSA-N 1 0 417.531 3.614 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000507601529 1002208597 /nfs/dbraw/zinc/20/85/97/1002208597.db2.gz OMUCEIXHPBMBON-YLJYHZDGSA-N 1 0 408.502 3.760 20 5 HHBDRO C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000507683458 1002276589 /nfs/dbraw/zinc/27/65/89/1002276589.db2.gz KHMXMPBNCHNLCG-HNAYVOBHSA-N 1 0 403.429 3.929 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000508060351 1002581551 /nfs/dbraw/zinc/58/15/51/1002581551.db2.gz TYFRALBLBWJGJG-UHFFFAOYSA-N 1 0 424.501 3.626 20 5 HHBDRO CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499531007 1002917685 /nfs/dbraw/zinc/91/76/85/1002917685.db2.gz OXLPQGIYGJRPBR-UHFFFAOYSA-N 1 0 422.529 3.932 20 5 HHBDRO CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499531907 1002918638 /nfs/dbraw/zinc/91/86/38/1002918638.db2.gz UYIXCLDHPAAPCZ-UHFFFAOYSA-N 1 0 419.485 3.517 20 5 HHBDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000508606370 1003061131 /nfs/dbraw/zinc/06/11/31/1003061131.db2.gz ZCLZNADJHIHHTB-UHFFFAOYSA-N 1 0 410.518 3.789 20 5 HHBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000499849405 1003184651 /nfs/dbraw/zinc/18/46/51/1003184651.db2.gz QFGVQFCOXFBBQK-UHFFFAOYSA-N 1 0 421.501 3.535 20 5 HHBDRO C[NH+](C)CCN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000509129991 1003574205 /nfs/dbraw/zinc/57/42/05/1003574205.db2.gz PAQJEYSOEOPUFZ-UHFFFAOYSA-N 1 0 411.380 3.744 20 5 HHBDRO C[C@H]([NH2+]C1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCOCC1)c1ccccc1 ZINC000500414748 1003702424 /nfs/dbraw/zinc/70/24/24/1003702424.db2.gz MHNKIQBEDWXPGJ-INIZCTEOSA-N 1 0 424.501 3.791 20 5 HHBDRO C[C@@H]([NH2+]C1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCOCC1)c1ccccc1 ZINC000500414749 1003702626 /nfs/dbraw/zinc/70/26/26/1003702626.db2.gz MHNKIQBEDWXPGJ-MRXNPFEDSA-N 1 0 424.501 3.791 20 5 HHBDRO C[C@@H]([NH2+]C1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCOCC1)c1ccccc1 ZINC000500441866 1003720751 /nfs/dbraw/zinc/72/07/51/1003720751.db2.gz MSLLEHIVXYPHOO-MRXNPFEDSA-N 1 0 422.485 3.706 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)c2c(c1)COCO2 ZINC000500457720 1003729047 /nfs/dbraw/zinc/72/90/47/1003729047.db2.gz BNEXFIJVMCKWEW-FQEVSTJZSA-N 1 0 404.850 3.606 20 5 HHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000509441089 1003863200 /nfs/dbraw/zinc/86/32/00/1003863200.db2.gz VBJGALYNUSMVQG-KRWDZBQOSA-N 1 0 413.543 3.899 20 5 HHBDRO CC(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2c(c1)OCCO2 ZINC000509599504 1003971153 /nfs/dbraw/zinc/97/11/53/1003971153.db2.gz GFDFMOPCFBDFKH-FQEVSTJZSA-N 1 0 400.431 3.719 20 5 HHBDRO COc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509621915 1003987703 /nfs/dbraw/zinc/98/77/03/1003987703.db2.gz VIVPUHROEGJOQD-NHCUHLMSSA-N 1 0 411.502 3.899 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000512126550 1004041558 /nfs/dbraw/zinc/04/15/58/1004041558.db2.gz BLQYAUUXIUFGSP-HOTGVXAUSA-N 1 0 409.490 3.543 20 5 HHBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000509785154 1004094602 /nfs/dbraw/zinc/09/46/02/1004094602.db2.gz FPVQZQCVQJNDNM-LLVKDONJSA-N 1 0 411.252 3.858 20 5 HHBDRO O=C(C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000512201880 1004103050 /nfs/dbraw/zinc/10/30/50/1004103050.db2.gz IUGLLJNKYKSELF-QGZVFWFLSA-N 1 0 424.284 3.504 20 5 HHBDRO C[C@H]1C[C@@H](CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[N@@H+]1Cc1ccccc1 ZINC000510129387 1004344618 /nfs/dbraw/zinc/34/46/18/1004344618.db2.gz NDPNLNXGMBBSOT-AZUAARDMSA-N 1 0 420.513 3.966 20 5 HHBDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512522492 1004358868 /nfs/dbraw/zinc/35/88/68/1004358868.db2.gz VFBUTXAWCSWYMU-AEFFLSMTSA-N 1 0 413.522 3.512 20 5 HHBDRO C[C@@H]1C[C@H](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000510191302 1004386886 /nfs/dbraw/zinc/38/68/86/1004386886.db2.gz IDQMRGSSBWPLSK-QUCCMNQESA-N 1 0 411.502 3.781 20 5 HHBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(OC)c(OC)c1 ZINC000510199455 1004392098 /nfs/dbraw/zinc/39/20/98/1004392098.db2.gz MMTKHRZBBABJPB-QGZVFWFLSA-N 1 0 401.463 3.990 20 5 HHBDRO CC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(OC)c1 ZINC000510249555 1004425576 /nfs/dbraw/zinc/42/55/76/1004425576.db2.gz ACCDWORSPLHJDX-INIZCTEOSA-N 1 0 401.463 3.990 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCOc2c(Br)cccc21 ZINC000501528643 1004492183 /nfs/dbraw/zinc/49/21/83/1004492183.db2.gz DNEBJTFRYGAVKX-AWEZNQCLSA-N 1 0 420.263 3.718 20 5 HHBDRO O=C(Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)c1csc([N+](=O)[O-])c1 ZINC000512749783 1004535906 /nfs/dbraw/zinc/53/59/06/1004535906.db2.gz QJCODKRJMAWAKY-UHFFFAOYSA-N 1 0 423.498 3.626 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000501614471 1004553731 /nfs/dbraw/zinc/55/37/31/1004553731.db2.gz BBMPDHRSGWZQEQ-HZPDHXFCSA-N 1 0 420.469 3.584 20 5 HHBDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000510523850 1004651329 /nfs/dbraw/zinc/65/13/29/1004651329.db2.gz VNLSUTZWMDXJRE-UHFFFAOYSA-N 1 0 423.457 3.500 20 5 HHBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000510525886 1004654612 /nfs/dbraw/zinc/65/46/12/1004654612.db2.gz RCLAAYRTDOTSIX-AOMKIAJQSA-N 1 0 421.501 3.725 20 5 HHBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[NH+](C)C ZINC000510537945 1004671118 /nfs/dbraw/zinc/67/11/18/1004671118.db2.gz JKKBNEKKXOEWBX-IIBYNOLFSA-N 1 0 407.474 3.510 20 5 HHBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000510556590 1004696436 /nfs/dbraw/zinc/69/64/36/1004696436.db2.gz YNVFUJVZUGYLCM-HJPURHCSSA-N 1 0 422.485 3.638 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000501771996 1004710340 /nfs/dbraw/zinc/71/03/40/1004710340.db2.gz HVZQCUBNRDLLNJ-IRXDYDNUSA-N 1 0 407.474 3.740 20 5 HHBDRO CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1C ZINC000501853959 1004777252 /nfs/dbraw/zinc/77/72/52/1004777252.db2.gz VXOVAJXMZGQJPW-KRWDZBQOSA-N 1 0 412.490 3.971 20 5 HHBDRO CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1C ZINC000501853961 1004777264 /nfs/dbraw/zinc/77/72/64/1004777264.db2.gz VXOVAJXMZGQJPW-QGZVFWFLSA-N 1 0 412.490 3.971 20 5 HHBDRO CC(C)NC(=O)c1ccc(NC2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000513156992 1004836249 /nfs/dbraw/zinc/83/62/49/1004836249.db2.gz YHFHCYZKYBGDPG-UHFFFAOYSA-N 1 0 410.518 3.852 20 5 HHBDRO CC[N@@H+]1CCC[C@@H](CN(C)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C)c1 ZINC000510784209 1004849937 /nfs/dbraw/zinc/84/99/37/1004849937.db2.gz VIUDYHQMFZJXJD-VBKZILBWSA-N 1 0 407.465 3.512 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc2n[nH]cc2c1 ZINC000513202675 1004858880 /nfs/dbraw/zinc/85/88/80/1004858880.db2.gz XRHRTRKGAYMSAP-SNVBAGLBSA-N 1 0 418.251 3.523 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000510800594 1004860572 /nfs/dbraw/zinc/86/05/72/1004860572.db2.gz XUJNJIZKNWBZKJ-UHFFFAOYSA-N 1 0 410.518 3.544 20 5 HHBDRO C[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000510832075 1004880201 /nfs/dbraw/zinc/88/02/01/1004880201.db2.gz HCTHXHHGKNYWDC-ZDUSSCGKSA-N 1 0 420.416 3.765 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000513302479 1004902941 /nfs/dbraw/zinc/90/29/41/1004902941.db2.gz VXXHZHCWZNCCTB-CRAIPNDOSA-N 1 0 417.893 3.796 20 5 HHBDRO C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510907824 1004925146 /nfs/dbraw/zinc/92/51/46/1004925146.db2.gz BLTIKXUKHRNJKF-STQMWFEESA-N 1 0 410.312 3.740 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000502226793 1004967094 /nfs/dbraw/zinc/96/70/94/1004967094.db2.gz KKUVOVFOUHUIGG-UHFFFAOYSA-N 1 0 403.523 3.831 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1)CCc1ccccc1[N+](=O)[O-] ZINC000511057889 1005000836 /nfs/dbraw/zinc/00/08/36/1005000836.db2.gz CMHOMXNDUAZHBG-UHFFFAOYSA-N 1 0 406.280 3.860 20 5 HHBDRO CCOc1cc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2CC)c([N+](=O)[O-])cc1OCC ZINC000502339654 1005020346 /nfs/dbraw/zinc/02/03/46/1005020346.db2.gz ZKFJEXRNWZRJTQ-HNNXBMFYSA-N 1 0 408.499 3.778 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](c4nnc5n4CCC5)C3)o2)c([N+](=O)[O-])c1 ZINC000513649601 1005066102 /nfs/dbraw/zinc/06/61/02/1005066102.db2.gz ZTBWKZHURVWFBZ-HNNXBMFYSA-N 1 0 423.473 3.781 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000513698738 1005087101 /nfs/dbraw/zinc/08/71/01/1005087101.db2.gz FDBBXYDCWOQOKW-CJNGLKHVSA-N 1 0 405.401 3.762 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000502494188 1005091316 /nfs/dbraw/zinc/09/13/16/1005091316.db2.gz KGCWTKLZZAMVED-DGCLKSJQSA-N 1 0 410.364 3.887 20 5 HHBDRO COc1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000513724857 1005097354 /nfs/dbraw/zinc/09/73/54/1005097354.db2.gz JTBDIPXQTYKBIG-OAHLLOKOSA-N 1 0 417.428 3.605 20 5 HHBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000502626924 1005147926 /nfs/dbraw/zinc/14/79/26/1005147926.db2.gz VTNAVZMDWRJZCA-KRWDZBQOSA-N 1 0 402.539 3.681 20 5 HHBDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000511476371 1005192835 /nfs/dbraw/zinc/19/28/35/1005192835.db2.gz HQZMSTONSMRNJX-HOTGVXAUSA-N 1 0 417.531 3.686 20 5 HHBDRO C[C@@H]1C[C@H](CCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000511642144 1005257323 /nfs/dbraw/zinc/25/73/23/1005257323.db2.gz GOMNWAJWFQTICQ-AEFFLSMTSA-N 1 0 417.531 3.711 20 5 HHBDRO CC(=O)NCC1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000511643593 1005257623 /nfs/dbraw/zinc/25/76/23/1005257623.db2.gz AFEAFHYPOSVJOA-UHFFFAOYSA-N 1 0 401.438 3.874 20 5 HHBDRO CC[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000514093224 1005262006 /nfs/dbraw/zinc/26/20/06/1005262006.db2.gz IGNJQOSZXKFHRB-JTHBVZDNSA-N 1 0 419.529 3.844 20 5 HHBDRO CC[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000514096819 1005263864 /nfs/dbraw/zinc/26/38/64/1005263864.db2.gz XYTPHRYFMWXXAX-FYYLOGMGSA-N 1 0 419.529 3.844 20 5 HHBDRO CC(C)[C@H](C)NC(=O)C1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000502912724 1005271715 /nfs/dbraw/zinc/27/17/15/1005271715.db2.gz SMERLUYNXFQDDO-LSDHHAIUSA-N 1 0 415.494 3.579 20 5 HHBDRO COc1cc2c(cc1OC)CC[NH+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000514203174 1005310641 /nfs/dbraw/zinc/31/06/41/1005310641.db2.gz GNXMBZSDBSSHGR-UHFFFAOYSA-N 1 0 423.469 3.910 20 5 HHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000511766195 1005314874 /nfs/dbraw/zinc/31/48/74/1005314874.db2.gz CDRFJEGHUWAYPZ-OAQYLSRUSA-N 1 0 411.502 3.781 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000511775520 1005320153 /nfs/dbraw/zinc/32/01/53/1005320153.db2.gz HMOZODGTWNLKAB-KCZVDYSFSA-N 1 0 409.486 3.736 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCC1 ZINC000503033252 1005321819 /nfs/dbraw/zinc/32/18/19/1005321819.db2.gz ZNKFRJRJBLEHBT-FQEVSTJZSA-N 1 0 408.458 3.652 20 5 HHBDRO C[N@@H+]1CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000514320024 1005336585 /nfs/dbraw/zinc/33/65/85/1005336585.db2.gz PWWHFUFHDJSHJP-LJQANCHMSA-N 1 0 402.882 3.566 20 5 HHBDRO Cc1c(CNC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000503099673 1005347119 /nfs/dbraw/zinc/34/71/19/1005347119.db2.gz YJNGZDOTMMXGHZ-NRFANRHFSA-N 1 0 414.506 3.793 20 5 HHBDRO CCCn1nccc1C1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000503376199 1005402069 /nfs/dbraw/zinc/40/20/69/1005402069.db2.gz JPIMTUSWWNJSCS-UHFFFAOYSA-N 1 0 405.886 3.673 20 5 HHBDRO Cc1c(Br)cc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000504160693 1005564785 /nfs/dbraw/zinc/56/47/85/1005564785.db2.gz AZBOOLVPQVBDBB-UHFFFAOYSA-N 1 0 400.317 3.857 20 5 HHBDRO CCCOc1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OCCC ZINC000504357782 1005605923 /nfs/dbraw/zinc/60/59/23/1005605923.db2.gz NQVYNPYNOIZLLK-CVEARBPZSA-N 1 0 420.510 3.921 20 5 HHBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000531226057 1006058756 /nfs/dbraw/zinc/05/87/56/1006058756.db2.gz SBSMSRDWTFHNDV-UHFFFAOYSA-N 1 0 400.401 3.813 20 5 HHBDRO Cc1cc(OCC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000514697598 1006086692 /nfs/dbraw/zinc/08/66/92/1006086692.db2.gz RSCKMGSLVVEDGO-FQEVSTJZSA-N 1 0 411.502 3.701 20 5 HHBDRO O=C(NC1CC1)c1ccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000514898560 1006199142 /nfs/dbraw/zinc/19/91/42/1006199142.db2.gz YWPKVEHEMMCEFX-SFHVURJKSA-N 1 0 400.504 3.798 20 5 HHBDRO CC[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000531702737 1006365222 /nfs/dbraw/zinc/36/52/22/1006365222.db2.gz RLFJAPWLDDLTEX-FQEVSTJZSA-N 1 0 405.520 3.664 20 5 HHBDRO CNc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000531727212 1006382081 /nfs/dbraw/zinc/38/20/81/1006382081.db2.gz SUTLMADCBJTFNF-FPOVZHCZSA-N 1 0 408.502 3.763 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000534541460 1006532312 /nfs/dbraw/zinc/53/23/12/1006532312.db2.gz MOXQHIXPEQUXJX-MRXNPFEDSA-N 1 0 403.504 3.797 20 5 HHBDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000531942027 1006534679 /nfs/dbraw/zinc/53/46/79/1006534679.db2.gz MVAKHADNBGCUQV-KRWDZBQOSA-N 1 0 417.531 3.716 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000531956303 1006543912 /nfs/dbraw/zinc/54/39/12/1006543912.db2.gz URZSMWAARBAXCH-HNNXBMFYSA-N 1 0 405.520 3.831 20 5 HHBDRO CC[C@H]([NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000532206957 1006720539 /nfs/dbraw/zinc/72/05/39/1006720539.db2.gz ONJCEGJPRADQAC-FQEVSTJZSA-N 1 0 405.520 3.664 20 5 HHBDRO CCOc1cc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000516006645 1006825719 /nfs/dbraw/zinc/82/57/19/1006825719.db2.gz ZQJDSTCTKCQUQP-UHFFFAOYSA-N 1 0 419.522 3.730 20 5 HHBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538723701 1006999847 /nfs/dbraw/zinc/99/98/47/1006999847.db2.gz UEJGSZNFXMXKHS-JOCHJYFZSA-N 1 0 414.458 3.567 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000538726439 1007004458 /nfs/dbraw/zinc/00/44/58/1007004458.db2.gz RSWDFLGWMXNWOZ-VQIMIIECSA-N 1 0 400.475 3.918 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000534959601 1007005624 /nfs/dbraw/zinc/00/56/24/1007005624.db2.gz CCRFCZRUMFUHOS-JLTOFOAXSA-N 1 0 421.856 3.575 20 5 HHBDRO CCc1nc(C)c([C@H](C)[N@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 ZINC000532576563 1007008190 /nfs/dbraw/zinc/00/81/90/1007008190.db2.gz DSFOCPFXCCCUFK-ZDUSSCGKSA-N 1 0 404.492 3.913 20 5 HHBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000516316721 1007010906 /nfs/dbraw/zinc/01/09/06/1007010906.db2.gz FIDOWSAMRLBDTG-LJQANCHMSA-N 1 0 417.893 3.970 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534971743 1007028106 /nfs/dbraw/zinc/02/81/06/1007028106.db2.gz PDBCCOKHQOQOEP-BEFAXECRSA-N 1 0 420.872 3.880 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1cccc(OC)c1 ZINC000534983423 1007042170 /nfs/dbraw/zinc/04/21/70/1007042170.db2.gz SANQFIDCPIDWNR-FQEVSTJZSA-N 1 0 410.474 3.898 20 5 HHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000516579357 1007165566 /nfs/dbraw/zinc/16/55/66/1007165566.db2.gz QUHFROISXFEQFD-HXUWFJFHSA-N 1 0 416.909 3.927 20 5 HHBDRO O=C(c1ccccc1)N1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532769992 1007172251 /nfs/dbraw/zinc/17/22/51/1007172251.db2.gz IIJZFQVUECYNQR-UHFFFAOYSA-N 1 0 420.469 3.640 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)cc2[N+](=O)[O-])CC1 ZINC000535149917 1007189874 /nfs/dbraw/zinc/18/98/74/1007189874.db2.gz VBJQKEUMCUWSCS-HXUWFJFHSA-N 1 0 414.550 3.635 20 5 HHBDRO Cn1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000516686088 1007232988 /nfs/dbraw/zinc/23/29/88/1007232988.db2.gz OWIDMIBELSZEIO-ZLNRFVROSA-N 1 0 418.497 4.000 20 5 HHBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000535208434 1007257345 /nfs/dbraw/zinc/25/73/45/1007257345.db2.gz YLLANSUKIVYHIJ-KRWDZBQOSA-N 1 0 410.474 3.805 20 5 HHBDRO CC(C)n1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000535271298 1007321560 /nfs/dbraw/zinc/32/15/60/1007321560.db2.gz QEZYNJWJCUVFOE-GDBMZVCRSA-N 1 0 411.466 3.758 20 5 HHBDRO COc1ccc(NC(=O)CC[NH+]2CCC(Oc3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000532974332 1007343349 /nfs/dbraw/zinc/34/33/49/1007343349.db2.gz KFDIHIGTSGENNL-UHFFFAOYSA-N 1 0 413.474 3.784 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000532976301 1007346625 /nfs/dbraw/zinc/34/66/25/1007346625.db2.gz DLBUXOLKNCSNRL-ZBFHGGJFSA-N 1 0 401.438 3.949 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2ccccc2F)CC1 ZINC000532977775 1007347731 /nfs/dbraw/zinc/34/77/31/1007347731.db2.gz IMKKZSGGNHBSBV-UHFFFAOYSA-N 1 0 401.438 3.951 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000539075013 1007365725 /nfs/dbraw/zinc/36/57/25/1007365725.db2.gz ODDFBQYNDIPTNJ-KRWDZBQOSA-N 1 0 419.547 3.736 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000539085996 1007374741 /nfs/dbraw/zinc/37/47/41/1007374741.db2.gz CMBXHKMQJSDZAY-IBGZPJMESA-N 1 0 410.518 3.683 20 5 HHBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2)CC1 ZINC000533010708 1007374925 /nfs/dbraw/zinc/37/49/25/1007374925.db2.gz MXPSEUBUODMMLA-UHFFFAOYSA-N 1 0 422.407 3.613 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533022736 1007383374 /nfs/dbraw/zinc/38/33/74/1007383374.db2.gz XMKINLXQYBHNJY-UHFFFAOYSA-N 1 0 405.458 3.897 20 5 HHBDRO O=C(C[N@H+](Cc1cccc(F)c1)C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533027529 1007387754 /nfs/dbraw/zinc/38/77/54/1007387754.db2.gz ROMDLBYDNZVGOA-UHFFFAOYSA-N 1 0 415.421 3.846 20 5 HHBDRO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1[N+](=O)[O-] ZINC000533044040 1007404915 /nfs/dbraw/zinc/40/49/15/1007404915.db2.gz DPGJNTQGAZPTKG-SFHVURJKSA-N 1 0 412.490 3.946 20 5 HHBDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000539119281 1007407620 /nfs/dbraw/zinc/40/76/20/1007407620.db2.gz ACVKMRCMIVJOLS-LSDHHAIUSA-N 1 0 401.463 3.988 20 5 HHBDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000539119280 1007407881 /nfs/dbraw/zinc/40/78/81/1007407881.db2.gz ACVKMRCMIVJOLS-HUUCEWRRSA-N 1 0 401.463 3.988 20 5 HHBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3CC[NH+](CC4CC4)CC3)cc2[N+](=O)[O-])C1 ZINC000517102545 1007415124 /nfs/dbraw/zinc/41/51/24/1007415124.db2.gz NMYBFCXCPVAKSF-IAGOWNOFSA-N 1 0 414.550 3.681 20 5 HHBDRO COc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000533075167 1007438389 /nfs/dbraw/zinc/43/83/89/1007438389.db2.gz OGFNDHMHYLAQGJ-CJNGLKHVSA-N 1 0 411.449 3.654 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000533118440 1007463256 /nfs/dbraw/zinc/46/32/56/1007463256.db2.gz MMFAEHFWWPXRIJ-UHFFFAOYSA-N 1 0 412.328 3.858 20 5 HHBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000535409001 1007477786 /nfs/dbraw/zinc/47/77/86/1007477786.db2.gz ZXGTUDSOMKLFDM-JTHBVZDNSA-N 1 0 422.529 3.833 20 5 HHBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000535408998 1007477843 /nfs/dbraw/zinc/47/78/43/1007477843.db2.gz ZXGTUDSOMKLFDM-FYYLOGMGSA-N 1 0 422.529 3.833 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000535440517 1007502412 /nfs/dbraw/zinc/50/24/12/1007502412.db2.gz LEQLVRDHTXOMGN-CZKAHXPPSA-N 1 0 420.513 3.891 20 5 HHBDRO CCOc1ccc(NC(=O)CN(C)Cc2ccccc2N2CCCC2)c([N+](=O)[O-])c1 ZINC000533218833 1007543039 /nfs/dbraw/zinc/54/30/39/1007543039.db2.gz IBEXHJAGMPPWJF-UHFFFAOYSA-N 1 0 412.490 3.664 20 5 HHBDRO C[N@@H+]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H]1c1ccc(Cl)cc1 ZINC000535542681 1007583487 /nfs/dbraw/zinc/58/34/87/1007583487.db2.gz OQUJYWDZVDSKFL-YWZLYKJASA-N 1 0 400.866 3.990 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000539288058 1007584295 /nfs/dbraw/zinc/58/42/95/1007584295.db2.gz UUFZBILQRGXTDI-HNNXBMFYSA-N 1 0 419.441 3.531 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000533270681 1007586406 /nfs/dbraw/zinc/58/64/06/1007586406.db2.gz GJSUJTFFDHZEKV-ZWKOTPCHSA-N 1 0 418.538 3.518 20 5 HHBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539296171 1007594006 /nfs/dbraw/zinc/59/40/06/1007594006.db2.gz ZVYZRRWYVOPFPL-GRDNDAEWSA-N 1 0 403.504 3.610 20 5 HHBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539296175 1007594273 /nfs/dbraw/zinc/59/42/73/1007594273.db2.gz ZVYZRRWYVOPFPL-VBQJREDUSA-N 1 0 403.504 3.610 20 5 HHBDRO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000533282412 1007595482 /nfs/dbraw/zinc/59/54/82/1007595482.db2.gz RUIGFNMJAVDSRH-OAHLLOKOSA-N 1 0 401.463 3.504 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000533288970 1007601224 /nfs/dbraw/zinc/60/12/24/1007601224.db2.gz LRCNEMNYXPSWEY-QGZVFWFLSA-N 1 0 413.449 3.966 20 5 HHBDRO O=C(C[NH2+][C@@H](COc1ccccc1)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000539317423 1007616041 /nfs/dbraw/zinc/61/60/41/1007616041.db2.gz SDCCSAPESOHPFH-QFIPXVFZSA-N 1 0 417.465 3.894 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000533301920 1007618868 /nfs/dbraw/zinc/61/88/68/1007618868.db2.gz QTGNDUYKRFBGPG-HOCLYGCPSA-N 1 0 401.438 3.634 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000539379510 1007684193 /nfs/dbraw/zinc/68/41/93/1007684193.db2.gz DZJVHEFLUHKQRG-HOTGVXAUSA-N 1 0 412.490 3.881 20 5 HHBDRO Cc1nccn1CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000517544432 1007759535 /nfs/dbraw/zinc/75/95/35/1007759535.db2.gz LZVJWQBZUHHVAX-UHFFFAOYSA-N 1 0 405.252 3.912 20 5 HHBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000535802919 1007811269 /nfs/dbraw/zinc/81/12/69/1007811269.db2.gz RMSGZFFBIXYBAQ-JKSUJKDBSA-N 1 0 402.495 3.808 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(F)c1 ZINC000533508101 1007824883 /nfs/dbraw/zinc/82/48/83/1007824883.db2.gz IMVUFJINMOELCY-KRWDZBQOSA-N 1 0 400.454 3.810 20 5 HHBDRO CSCC[C@@H](CO)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539523092 1007832211 /nfs/dbraw/zinc/83/22/11/1007832211.db2.gz WFOBTLYGNBKABE-SFHVURJKSA-N 1 0 412.515 3.651 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000533519747 1007838309 /nfs/dbraw/zinc/83/83/09/1007838309.db2.gz FFQPZHMUAYSOKW-UHFFFAOYSA-N 1 0 421.457 3.649 20 5 HHBDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000533523108 1007843050 /nfs/dbraw/zinc/84/30/50/1007843050.db2.gz RGDVKTOOFQVTQN-QGZVFWFLSA-N 1 0 423.307 3.708 20 5 HHBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000535829598 1007844164 /nfs/dbraw/zinc/84/41/64/1007844164.db2.gz TUIUHIQMSPTVIZ-UHFFFAOYSA-N 1 0 405.539 3.731 20 5 HHBDRO O=C(c1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1)N1CCOCC1 ZINC000533580100 1007883689 /nfs/dbraw/zinc/88/36/89/1007883689.db2.gz LUHAYTZGEOCXLU-IFMALSPDSA-N 1 0 423.513 3.568 20 5 HHBDRO O=C(NC1CC1)c1ccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000517670732 1007885780 /nfs/dbraw/zinc/88/57/80/1007885780.db2.gz VOPFKWURKGWQSE-UHFFFAOYSA-N 1 0 424.501 3.574 20 5 HHBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)CC1 ZINC000535900389 1007919201 /nfs/dbraw/zinc/91/92/01/1007919201.db2.gz LNQCZSMUSAOKRP-INIZCTEOSA-N 1 0 400.504 3.522 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000517786269 1007968696 /nfs/dbraw/zinc/96/86/96/1007968696.db2.gz RCJKJGQAWWHDLB-QGZVFWFLSA-N 1 0 408.458 3.553 20 5 HHBDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000535965792 1008002170 /nfs/dbraw/zinc/00/21/70/1008002170.db2.gz LXYNJHQWDMKKTQ-GOSISDBHSA-N 1 0 418.457 3.968 20 5 HHBDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000535965735 1008002408 /nfs/dbraw/zinc/00/24/08/1008002408.db2.gz IMIQBPMMMAKLOV-GOSISDBHSA-N 1 0 408.458 3.784 20 5 HHBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539829635 1008123363 /nfs/dbraw/zinc/12/33/63/1008123363.db2.gz PXURCISZCVOVLJ-OXQOHEQNSA-N 1 0 400.475 3.918 20 5 HHBDRO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539837983 1008130018 /nfs/dbraw/zinc/13/00/18/1008130018.db2.gz JYXXKNBEGLIYSG-CTNGQTDRSA-N 1 0 411.502 3.851 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)[C@H]1c1cccs1 ZINC000533864639 1008167317 /nfs/dbraw/zinc/16/73/17/1008167317.db2.gz QGKCCRKXIRYIIV-QRWLVFNGSA-N 1 0 414.531 3.807 20 5 HHBDRO Cc1c(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000533922135 1008207003 /nfs/dbraw/zinc/20/70/03/1008207003.db2.gz KAIRLGISFIIPGI-UHFFFAOYSA-N 1 0 402.458 3.779 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000533950561 1008227773 /nfs/dbraw/zinc/22/77/73/1008227773.db2.gz UBJCXXPCGSOMFU-FQEVSTJZSA-N 1 0 421.501 3.527 20 5 HHBDRO O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)[NH+]2CCCCC2)c(F)c1N1CCOCC1 ZINC000518264477 1008232805 /nfs/dbraw/zinc/23/28/05/1008232805.db2.gz PAAJYVGVLBXKOM-GOSISDBHSA-N 1 0 418.469 3.803 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540061113 1008265820 /nfs/dbraw/zinc/26/58/20/1008265820.db2.gz WLYNUOFEAWYMTO-UHFFFAOYSA-N 1 0 400.504 3.748 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540097471 1008285919 /nfs/dbraw/zinc/28/59/19/1008285919.db2.gz AOFRCYHYZUUECO-OAHLLOKOSA-N 1 0 400.504 3.503 20 5 HHBDRO Cc1c([C@H](C)[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000540186114 1008327308 /nfs/dbraw/zinc/32/73/08/1008327308.db2.gz LZALFUXJPVWIOZ-IBGZPJMESA-N 1 0 410.518 3.683 20 5 HHBDRO CC[N@H+](CCC1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1)CC(C)C ZINC000540195496 1008331254 /nfs/dbraw/zinc/33/12/54/1008331254.db2.gz UUJRURIAQNZBTR-UHFFFAOYSA-N 1 0 416.566 3.564 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000540237900 1008348032 /nfs/dbraw/zinc/34/80/32/1008348032.db2.gz SSRHIYHKJZKYNE-UHFFFAOYSA-N 1 0 412.471 3.641 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000540318743 1008377672 /nfs/dbraw/zinc/37/76/72/1008377672.db2.gz GYXSGLHVHMAXLN-LBPRGKRZSA-N 1 0 409.389 3.884 20 5 HHBDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(OC(F)F)cc1 ZINC000540320277 1008378624 /nfs/dbraw/zinc/37/86/24/1008378624.db2.gz IEBSYOURBFMHTR-GFCCVEGCSA-N 1 0 407.373 3.845 20 5 HHBDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000540332171 1008384222 /nfs/dbraw/zinc/38/42/22/1008384222.db2.gz AAOPWYRUELNNKP-NSHDSACASA-N 1 0 408.252 3.655 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000540342323 1008389570 /nfs/dbraw/zinc/38/95/70/1008389570.db2.gz WJJPQUXGBYDSTN-JOCHJYFZSA-N 1 0 413.474 3.990 20 5 HHBDRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000540375584 1008405719 /nfs/dbraw/zinc/40/57/19/1008405719.db2.gz HOBPDABWFPICSP-KXBFYZLASA-N 1 0 413.474 3.626 20 5 HHBDRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000540375583 1008405766 /nfs/dbraw/zinc/40/57/66/1008405766.db2.gz HOBPDABWFPICSP-HNAYVOBHSA-N 1 0 413.474 3.626 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000540401554 1008417405 /nfs/dbraw/zinc/41/74/05/1008417405.db2.gz SESXSVJCQRGYNM-UHFFFAOYSA-N 1 0 412.490 3.742 20 5 HHBDRO COCCSc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000518789813 1008421205 /nfs/dbraw/zinc/42/12/05/1008421205.db2.gz DVGGQTLQDZJNDE-MGPUTAFESA-N 1 0 415.515 3.789 20 5 HHBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)C ZINC000518791275 1008422097 /nfs/dbraw/zinc/42/20/97/1008422097.db2.gz GVLYISZNNNSQHH-HNAYVOBHSA-N 1 0 413.474 3.847 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(C(F)(F)F)cc1 ZINC000518890772 1008461042 /nfs/dbraw/zinc/46/10/42/1008461042.db2.gz FLZIXWXLAMIYMI-QGZVFWFLSA-N 1 0 412.412 3.765 20 5 HHBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000518909379 1008469633 /nfs/dbraw/zinc/46/96/33/1008469633.db2.gz CKTDTRZCVOAMNI-UHFFFAOYSA-N 1 0 402.882 3.951 20 5 HHBDRO CCCN(CCOc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000548965914 1008547104 /nfs/dbraw/zinc/54/71/04/1008547104.db2.gz ODTCEGQMWLYWTK-UHFFFAOYSA-N 1 0 411.380 3.742 20 5 HHBDRO O=C(C[NH2+][C@@H](CCO)C1CCCCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000545519826 1008621348 /nfs/dbraw/zinc/62/13/48/1008621348.db2.gz PXCPQSCTBXDDLM-KRWDZBQOSA-N 1 0 418.519 3.578 20 5 HHBDRO Cn1cc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)n1 ZINC000543113196 1008686694 /nfs/dbraw/zinc/68/66/94/1008686694.db2.gz PXKSBZMALIEUSX-UHFFFAOYSA-N 1 0 402.458 3.686 20 5 HHBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000545647627 1008742922 /nfs/dbraw/zinc/74/29/22/1008742922.db2.gz NDSQJQSDDOKSIV-JQIJEIRASA-N 1 0 420.473 3.742 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549232368 1008802831 /nfs/dbraw/zinc/80/28/31/1008802831.db2.gz CMULRBQGFORVIJ-KRWDZBQOSA-N 1 0 416.909 3.984 20 5 HHBDRO COc1cc(C[N@H+](C)C[C@H](C)c2nccs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000543239015 1008808314 /nfs/dbraw/zinc/80/83/14/1008808314.db2.gz NUIIXVDFZFEMOC-NSHDSACASA-N 1 0 401.435 3.939 20 5 HHBDRO O=[N+]([O-])c1cccc(OCCN2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)c1 ZINC000519594179 1008924840 /nfs/dbraw/zinc/92/48/40/1008924840.db2.gz ZNTCVFUGEFWIFV-CQSZACIVSA-N 1 0 400.357 3.689 20 5 HHBDRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)c1OC ZINC000519593287 1008925064 /nfs/dbraw/zinc/92/50/64/1008925064.db2.gz OAXTUWWRYQBDAR-OAHLLOKOSA-N 1 0 401.463 3.908 20 5 HHBDRO COCC[N@H+](C)CCCC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000545842428 1008928376 /nfs/dbraw/zinc/92/83/76/1008928376.db2.gz PNAZHZHEGHIAON-UHFFFAOYSA-N 1 0 423.529 3.609 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000543411116 1009004202 /nfs/dbraw/zinc/00/42/02/1009004202.db2.gz HQVVMQJXYKHWQQ-GFCCVEGCSA-N 1 0 407.854 3.772 20 5 HHBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000549427730 1009015875 /nfs/dbraw/zinc/01/58/75/1009015875.db2.gz OKWZMWVNWWASSY-UHFFFAOYSA-N 1 0 406.490 3.504 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1 ZINC000543641921 1009246134 /nfs/dbraw/zinc/24/61/34/1009246134.db2.gz QDNDEAATZJJEFR-UHFFFAOYSA-N 1 0 403.504 3.649 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000520106520 1009263145 /nfs/dbraw/zinc/26/31/45/1009263145.db2.gz CJBPSGGJZQLDJP-UHFFFAOYSA-N 1 0 424.423 3.616 20 5 HHBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC4(CCC[N@@H+]4C)CC3)cc2[N+](=O)[O-])C1 ZINC000546267893 1009288310 /nfs/dbraw/zinc/28/83/10/1009288310.db2.gz OANDEYOFMPKIFS-QZTJIDSGSA-N 1 0 414.550 3.778 20 5 HHBDRO C[NH+](C)CCOc1ccccc1-c1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000546397002 1009408887 /nfs/dbraw/zinc/40/88/87/1009408887.db2.gz YCFHHPQTBRCHCS-UHFFFAOYSA-N 1 0 409.446 3.827 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000543844440 1009409906 /nfs/dbraw/zinc/40/99/06/1009409906.db2.gz OBSVGTAKKQQCIU-ROUUACIJSA-N 1 0 405.539 3.946 20 5 HHBDRO COc1cc(Cc2noc(C3CC[NH+](Cc4ccccc4)CC3)n2)ccc1[N+](=O)[O-] ZINC000546466603 1009486823 /nfs/dbraw/zinc/48/68/23/1009486823.db2.gz VXJXWRNAMXRKDU-UHFFFAOYSA-N 1 0 408.458 3.957 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000543949106 1009544761 /nfs/dbraw/zinc/54/47/61/1009544761.db2.gz VKHBQIRHISYTNP-UHFFFAOYSA-N 1 0 414.506 3.823 20 5 HHBDRO COc1cc(C[NH2+]C(C)(C)c2cnn(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000546703613 1009689656 /nfs/dbraw/zinc/68/96/56/1009689656.db2.gz ZSCJBMJWRUEZMW-UHFFFAOYSA-N 1 0 410.474 3.941 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)c1 ZINC000544110439 1009720821 /nfs/dbraw/zinc/72/08/21/1009720821.db2.gz MEXHBMIRHHTGHW-LPHOPBHVSA-N 1 0 421.284 3.838 20 5 HHBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000550187458 1009763177 /nfs/dbraw/zinc/76/31/77/1009763177.db2.gz GPUAYVAFQBNAQN-LBPRGKRZSA-N 1 0 400.317 3.906 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000546798754 1009764348 /nfs/dbraw/zinc/76/43/48/1009764348.db2.gz BVYYCNJNSNOJCS-KRWDZBQOSA-N 1 0 417.531 3.589 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+]C2(Cc3cccc(F)c3)CCOCC2)cccc1[N+](=O)[O-] ZINC000550274193 1009824833 /nfs/dbraw/zinc/82/48/33/1009824833.db2.gz YTUZAPWUHMXSSQ-INIZCTEOSA-N 1 0 415.465 3.751 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000550390746 1009901246 /nfs/dbraw/zinc/90/12/46/1009901246.db2.gz HBMZEGYDDKTCHU-QGZVFWFLSA-N 1 0 419.865 3.739 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC4(CCC[N@@H+]4C)CC3)cc2[N+](=O)[O-])C1 ZINC000546977587 1009933019 /nfs/dbraw/zinc/93/30/19/1009933019.db2.gz PDLHTECRQZUBRB-KRWDZBQOSA-N 1 0 400.523 3.532 20 5 HHBDRO CCc1ccc([C@H]([NH2+]C[C@@H](C(C)C)N2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544367890 1009996154 /nfs/dbraw/zinc/99/61/54/1009996154.db2.gz JRFYYGRBFKAQBC-RBBKRZOGSA-N 1 0 401.507 3.786 20 5 HHBDRO COc1cccc(N2C[C@H]([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2=O)c1 ZINC000520961460 1010008710 /nfs/dbraw/zinc/00/87/10/1010008710.db2.gz SGIQALUNAHZCCF-MRXNPFEDSA-N 1 0 407.426 3.759 20 5 HHBDRO O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000520990137 1010029604 /nfs/dbraw/zinc/02/96/04/1010029604.db2.gz JGGHCMOUMSPYOZ-UHFFFAOYSA-N 1 0 423.498 3.582 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC000550645535 1010080051 /nfs/dbraw/zinc/08/00/51/1010080051.db2.gz WUYDUDPHZTUUTE-IBGZPJMESA-N 1 0 402.882 3.619 20 5 HHBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000544491064 1010115325 /nfs/dbraw/zinc/11/53/25/1010115325.db2.gz OENDTEGMWDEAGV-GOSISDBHSA-N 1 0 421.563 3.718 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000550716352 1010124596 /nfs/dbraw/zinc/12/45/96/1010124596.db2.gz UTYVVFPGVZFIEN-UGSOOPFHSA-N 1 0 422.323 3.755 20 5 HHBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000544525522 1010153812 /nfs/dbraw/zinc/15/38/12/1010153812.db2.gz HYNBZOJXZFJLRT-OXQOHEQNSA-N 1 0 417.437 3.533 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)cc1 ZINC000544532689 1010161147 /nfs/dbraw/zinc/16/11/47/1010161147.db2.gz LCVFZYVPBZHUNU-YCRPNKLZSA-N 1 0 415.465 3.799 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)c1 ZINC000544532948 1010162210 /nfs/dbraw/zinc/16/22/10/1010162210.db2.gz TZCVUSZGKXERKL-QVKFZJNVSA-N 1 0 415.465 3.799 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)c1 ZINC000544532950 1010162594 /nfs/dbraw/zinc/16/25/94/1010162594.db2.gz TZCVUSZGKXERKL-YCRPNKLZSA-N 1 0 415.465 3.799 20 5 HHBDRO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544568763 1010198091 /nfs/dbraw/zinc/19/80/91/1010198091.db2.gz DBDXRTLZQDPQDD-LBPRGKRZSA-N 1 0 417.314 3.896 20 5 HHBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)(F)F)c1 ZINC000544572836 1010201560 /nfs/dbraw/zinc/20/15/60/1010201560.db2.gz JIQDEHVXDLMBDL-GFCCVEGCSA-N 1 0 418.393 3.618 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)cc1 ZINC000544573904 1010203306 /nfs/dbraw/zinc/20/33/06/1010203306.db2.gz BAMHBVLTTFSYGB-MJGOQNOKSA-N 1 0 408.907 3.948 20 5 HHBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1 ZINC000544574089 1010203389 /nfs/dbraw/zinc/20/33/89/1010203389.db2.gz JWNIYOCMMUBUTN-QGZVFWFLSA-N 1 0 414.430 3.711 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000521259685 1010263341 /nfs/dbraw/zinc/26/33/41/1010263341.db2.gz UGEGNORSLLWIFV-GGPKGHCWSA-N 1 0 414.550 3.675 20 5 HHBDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H](C(F)(F)F)C1 ZINC000550977593 1010294016 /nfs/dbraw/zinc/29/40/16/1010294016.db2.gz IHDSCGAJSGUNQT-IAGOWNOFSA-N 1 0 415.456 3.943 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)cc2[N+](=O)[O-])n1 ZINC000521312047 1010296874 /nfs/dbraw/zinc/29/68/74/1010296874.db2.gz PIPPVNDMZNXWEZ-ZDUSSCGKSA-N 1 0 418.544 3.725 20 5 HHBDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000521336512 1010313952 /nfs/dbraw/zinc/31/39/52/1010313952.db2.gz JYKJXKIEOSJRKG-MRXNPFEDSA-N 1 0 405.882 3.851 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000544745880 1010349869 /nfs/dbraw/zinc/34/98/69/1010349869.db2.gz IUVDRIUBMUYFCD-FXAWDEMLSA-N 1 0 417.531 3.582 20 5 HHBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000521497099 1010413350 /nfs/dbraw/zinc/41/33/50/1010413350.db2.gz YCZBQUJDQNELQY-UHFFFAOYSA-N 1 0 411.506 3.509 20 5 HHBDRO CS(=O)(=O)c1cc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000551232657 1010454421 /nfs/dbraw/zinc/45/44/21/1010454421.db2.gz ZLTHMGMUFLYANS-GQCTYLIASA-N 1 0 414.405 3.820 20 5 HHBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)CC2 ZINC000544942676 1010507835 /nfs/dbraw/zinc/50/78/35/1010507835.db2.gz DULQWVMCUATIAI-UHFFFAOYSA-N 1 0 408.502 3.907 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000548054799 1010515400 /nfs/dbraw/zinc/51/54/00/1010515400.db2.gz NWVIHDPZPPAOCM-CYBMUJFWSA-N 1 0 406.280 3.907 20 5 HHBDRO C[NH+](C)CCOc1ccc(-c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)cc1 ZINC000544983524 1010535046 /nfs/dbraw/zinc/53/50/46/1010535046.db2.gz KHYKAXHZFPCHFJ-UHFFFAOYSA-N 1 0 407.430 3.657 20 5 HHBDRO CC(C)OC[C@H](CO)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000521687196 1010551063 /nfs/dbraw/zinc/55/10/63/1010551063.db2.gz NAXKBTTZDGWPMU-QFIPXVFZSA-N 1 0 424.501 3.665 20 5 HHBDRO O=C(C[NH2+]C1(c2ccc(Cl)cc2)CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000551465046 1010601048 /nfs/dbraw/zinc/60/10/48/1010601048.db2.gz SKJROKNSIVKVKQ-UHFFFAOYSA-N 1 0 403.822 3.584 20 5 HHBDRO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000548522556 1010656024 /nfs/dbraw/zinc/65/60/24/1010656024.db2.gz YTMRDCOWMLDYLQ-CYBMUJFWSA-N 1 0 419.279 3.764 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000545199688 1010681298 /nfs/dbraw/zinc/68/12/98/1010681298.db2.gz SASNKNVISXYZML-FQEVSTJZSA-N 1 0 410.518 3.550 20 5 HHBDRO C[C@@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000551719526 1010760881 /nfs/dbraw/zinc/76/08/81/1010760881.db2.gz ZJJYONBMBXDACE-PIGZYNQJSA-N 1 0 419.279 3.820 20 5 HHBDRO C[NH+](C)CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000522035035 1010768794 /nfs/dbraw/zinc/76/87/94/1010768794.db2.gz TUIHXEDQLUJLGK-UHFFFAOYSA-N 1 0 402.539 3.534 20 5 HHBDRO CC[NH+](CC)CCOc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1OC ZINC000522134979 1010829241 /nfs/dbraw/zinc/82/92/41/1010829241.db2.gz GTSJGZAVISEIMQ-UHFFFAOYSA-N 1 0 401.463 3.885 20 5 HHBDRO CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000522388400 1010974587 /nfs/dbraw/zinc/97/45/87/1010974587.db2.gz KHJNCEVLNILSNA-UHFFFAOYSA-N 1 0 420.535 3.562 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000522478968 1011037227 /nfs/dbraw/zinc/03/72/27/1011037227.db2.gz WDSDFCJVPRVHTA-JXFKEZNVSA-N 1 0 404.555 3.927 20 5 HHBDRO C[NH+](C)CCOc1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1Cl ZINC000522645738 1011134303 /nfs/dbraw/zinc/13/43/03/1011134303.db2.gz KBUVARXTTAVBGT-UHFFFAOYSA-N 1 0 407.854 3.596 20 5 HHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000522651685 1011138623 /nfs/dbraw/zinc/13/86/23/1011138623.db2.gz DXYXTMSMEVUBQG-UHFFFAOYSA-N 1 0 405.882 3.785 20 5 HHBDRO CC(C)N1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000540617713 1011270399 /nfs/dbraw/zinc/27/03/99/1011270399.db2.gz BPQVLBFBCJXAOW-IBGZPJMESA-N 1 0 419.485 3.546 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Cc1ccccc1 ZINC000536149851 1011274653 /nfs/dbraw/zinc/27/46/53/1011274653.db2.gz JBEUJFQICHFCQR-HXUWFJFHSA-N 1 0 408.502 3.688 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Cc1ccccc1 ZINC000536149808 1011274785 /nfs/dbraw/zinc/27/47/85/1011274785.db2.gz JBEUJFQICHFCQR-FQEVSTJZSA-N 1 0 408.502 3.688 20 5 HHBDRO O=C(CCc1ccccc1)N1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000540757695 1011409587 /nfs/dbraw/zinc/40/95/87/1011409587.db2.gz AEVIRKRBQQTQQS-VXKWHMMOSA-N 1 0 407.514 3.739 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000536263241 1011431129 /nfs/dbraw/zinc/43/11/29/1011431129.db2.gz KBVGZNQQLKSTFY-RDJZCZTQSA-N 1 0 404.264 3.533 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000551812151 1011969017 /nfs/dbraw/zinc/96/90/17/1011969017.db2.gz BSOJEQADBMZZNP-NPMXOYFQSA-N 1 0 422.485 3.979 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000551812152 1011969297 /nfs/dbraw/zinc/96/92/97/1011969297.db2.gz BSOJEQADBMZZNP-WNSKOXEYSA-N 1 0 422.485 3.979 20 5 HHBDRO COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000541329526 1012039209 /nfs/dbraw/zinc/03/92/09/1012039209.db2.gz BIVRUTPBRFBYSU-VWNXMTODSA-N 1 0 419.481 3.996 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)nnn1-c1cccc(Cl)c1 ZINC000536857967 1012091335 /nfs/dbraw/zinc/09/13/35/1012091335.db2.gz KYLQEKNELDSPLL-CYBMUJFWSA-N 1 0 401.854 3.867 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)C(=O)Nc2nnc(CC)s2)cc1[N+](=O)[O-] ZINC000552089415 1012104343 /nfs/dbraw/zinc/10/43/43/1012104343.db2.gz JQYQOKZITNSFFC-XQQFMLRXSA-N 1 0 421.523 3.721 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000536867723 1012106645 /nfs/dbraw/zinc/10/66/45/1012106645.db2.gz FNRJNTWIFOEXSL-LDTOTXGLSA-N 1 0 409.486 3.801 20 5 HHBDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000536883126 1012131523 /nfs/dbraw/zinc/13/15/23/1012131523.db2.gz OXSDHGYVWQCRIM-AWEZNQCLSA-N 1 0 405.882 3.784 20 5 HHBDRO Cc1c(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cccc1[N+](=O)[O-] ZINC000552188164 1012200338 /nfs/dbraw/zinc/20/03/38/1012200338.db2.gz GKIQHLIGZJKOPN-GOSISDBHSA-N 1 0 403.429 3.677 20 5 HHBDRO Cn1ccnc1[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552265238 1012275512 /nfs/dbraw/zinc/27/55/12/1012275512.db2.gz PFWUDTNRVGQISU-QFIPXVFZSA-N 1 0 405.502 3.924 20 5 HHBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000552334354 1012343999 /nfs/dbraw/zinc/34/39/99/1012343999.db2.gz IBVZVGPRUKCTJJ-DZGCQCFKSA-N 1 0 414.428 3.501 20 5 HHBDRO COc1cc([C@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1OC(C)C ZINC000537051019 1012377571 /nfs/dbraw/zinc/37/75/71/1012377571.db2.gz HTEYBIXNSLDISR-HNNXBMFYSA-N 1 0 413.474 3.631 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000523757350 1012383869 /nfs/dbraw/zinc/38/38/69/1012383869.db2.gz GEZTVBFHDHOING-PKOBYXMFSA-N 1 0 417.531 3.749 20 5 HHBDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ncc(-c2ccccc2)o1 ZINC000541643278 1012463848 /nfs/dbraw/zinc/46/38/48/1012463848.db2.gz YKLSAOGFOSLKMY-CQSZACIVSA-N 1 0 408.414 3.899 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000537108116 1012478864 /nfs/dbraw/zinc/47/88/64/1012478864.db2.gz CUJVJTQADJVUQO-HOTGVXAUSA-N 1 0 410.474 3.708 20 5 HHBDRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)oc21 ZINC000541657735 1012483658 /nfs/dbraw/zinc/48/36/58/1012483658.db2.gz NOFXBENRWUIVIY-AWEZNQCLSA-N 1 0 409.442 3.980 20 5 HHBDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000541663381 1012491984 /nfs/dbraw/zinc/49/19/84/1012491984.db2.gz VIFZGRCEIHUGGE-MEDUHNTESA-N 1 0 421.910 3.588 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000537125894 1012509798 /nfs/dbraw/zinc/50/97/98/1012509798.db2.gz LUQDREADCFGBJJ-OXQOHEQNSA-N 1 0 413.474 3.690 20 5 HHBDRO O=C(C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000537132699 1012517247 /nfs/dbraw/zinc/51/72/47/1012517247.db2.gz MSYCMTSHEDJJGS-IFXJQAMLSA-N 1 0 403.866 3.944 20 5 HHBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541695429 1012543023 /nfs/dbraw/zinc/54/30/23/1012543023.db2.gz WIOFCMPEUJVXNH-ICSRJNTNSA-N 1 0 402.422 3.953 20 5 HHBDRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000537179156 1012588091 /nfs/dbraw/zinc/58/80/91/1012588091.db2.gz VGVAMRZZEJFNCI-UHFFFAOYSA-N 1 0 422.485 3.523 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cccc1[N+](=O)[O-] ZINC000537290487 1012748932 /nfs/dbraw/zinc/74/89/32/1012748932.db2.gz JYGLPKWDLVSJQM-SZNDQCEHSA-N 1 0 411.458 3.742 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000552754149 1012761243 /nfs/dbraw/zinc/76/12/43/1012761243.db2.gz GCNZRJKVCDPIBR-UHFFFAOYSA-N 1 0 424.295 3.853 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000541960543 1012823414 /nfs/dbraw/zinc/82/34/14/1012823414.db2.gz FQDHWIOEBSDDHZ-ZDUSSCGKSA-N 1 0 420.416 3.547 20 5 HHBDRO O=[N+]([O-])c1cc(I)cc(CN2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000568685168 1071804412 /nfs/dbraw/zinc/80/44/12/1071804412.db2.gz ZLTVLNZXJRLKJL-MRXNPFEDSA-N 1 0 423.254 3.886 20 5 HHBDRO C[NH+](C)CCCOC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000912593082 1072251385 /nfs/dbraw/zinc/25/13/85/1072251385.db2.gz WJIOPEXUYLXDTO-UHFFFAOYSA-N 1 0 405.838 3.609 20 5 HHBDRO C[NH+](C)CCN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCC1 ZINC001126777912 1072335078 /nfs/dbraw/zinc/33/50/78/1072335078.db2.gz LDILYFUTFNORNX-UHFFFAOYSA-N 1 0 416.444 3.748 20 5 HHBDRO CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000760652198 1072478917 /nfs/dbraw/zinc/47/89/17/1072478917.db2.gz CLJZKDIGCKATPP-KRWDZBQOSA-N 1 0 412.446 3.548 20 5 HHBDRO C[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571069498 1072550902 /nfs/dbraw/zinc/55/09/02/1072550902.db2.gz FLEPWMWRLGHAMH-KSSFIOAISA-N 1 0 423.307 3.708 20 5 HHBDRO C[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571069496 1072551019 /nfs/dbraw/zinc/55/10/19/1072551019.db2.gz FLEPWMWRLGHAMH-KBXCAEBGSA-N 1 0 423.307 3.708 20 5 HHBDRO C[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571069499 1072551131 /nfs/dbraw/zinc/55/11/31/1072551131.db2.gz FLEPWMWRLGHAMH-RDTXWAMCSA-N 1 0 423.307 3.708 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccc(CNc3ncnc4sc([N+](=O)[O-])cc43)cc2)C[C@@H](C)O1 ZINC000571113436 1072565938 /nfs/dbraw/zinc/56/59/38/1072565938.db2.gz MGJFMSKYJNWHNB-ZIAGYGMSSA-N 1 0 413.503 3.821 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3ncnc4sc([N+](=O)[O-])cc43)cc2)C[C@H](C)O1 ZINC000571113435 1072565983 /nfs/dbraw/zinc/56/59/83/1072565983.db2.gz MGJFMSKYJNWHNB-OKILXGFUSA-N 1 0 413.503 3.821 20 5 HHBDRO C[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571493308 1072640301 /nfs/dbraw/zinc/64/03/01/1072640301.db2.gz KTVREZYGBKCYSI-KKSFZXQISA-N 1 0 424.501 3.503 20 5 HHBDRO Nc1cc(NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587972507 1072724113 /nfs/dbraw/zinc/72/41/13/1072724113.db2.gz OMVHNEFFTXSAIR-UHFFFAOYSA-N 1 0 404.898 3.647 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000588114392 1072807722 /nfs/dbraw/zinc/80/77/22/1072807722.db2.gz MCYNRBUKROUDND-UHFFFAOYSA-N 1 0 410.518 3.691 20 5 HHBDRO CC[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000555053133 1073117631 /nfs/dbraw/zinc/11/76/31/1073117631.db2.gz OFHYKYJQDQSEPZ-QFIPXVFZSA-N 1 0 411.502 3.875 20 5 HHBDRO CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000555182826 1073225573 /nfs/dbraw/zinc/22/55/73/1073225573.db2.gz WCVGHNGVOFLLLC-NRFANRHFSA-N 1 0 418.501 3.575 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)n1 ZINC000555231431 1073276245 /nfs/dbraw/zinc/27/62/45/1073276245.db2.gz SXZGLKULXPKLMS-HXUWFJFHSA-N 1 0 410.518 3.947 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000588933389 1073349127 /nfs/dbraw/zinc/34/91/27/1073349127.db2.gz GGPVGHGGBGDUPT-HXPMCKFVSA-N 1 0 409.458 3.676 20 5 HHBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000590388865 1073808534 /nfs/dbraw/zinc/80/85/34/1073808534.db2.gz PDAQJQCMBDCTLF-KRWDZBQOSA-N 1 0 424.501 3.664 20 5 HHBDRO Cc1n[nH]c(C(=O)N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000573426671 1074392802 /nfs/dbraw/zinc/39/28/02/1074392802.db2.gz SDDCRIXYYDAPNE-CVGRLMLNSA-N 1 0 417.897 3.624 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)[C@@H]1c1ccccc1 ZINC000760852629 1074451767 /nfs/dbraw/zinc/45/17/67/1074451767.db2.gz JRZXDEBWEBQVSQ-PBHICJAKSA-N 1 0 404.264 3.533 20 5 HHBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000574834476 1075374969 /nfs/dbraw/zinc/37/49/69/1075374969.db2.gz WZVGHSZJLFKGAT-UHFFFAOYSA-N 1 0 411.930 3.767 20 5 HHBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4cc([N+](=O)[O-])ccc42)CC3)cs1 ZINC001164692428 719807926 /nfs/dbraw/zinc/80/79/26/719807926.db2.gz GQRUXTNEMTXINF-UHFFFAOYSA-N 1 0 424.530 3.938 20 5 HHBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164792860 721494002 /nfs/dbraw/zinc/49/40/02/721494002.db2.gz UCJKOUNTMQNZOD-UHFFFAOYSA-N 1 0 418.501 3.814 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)C[C@@H]21 ZINC001165027512 721803474 /nfs/dbraw/zinc/80/34/74/721803474.db2.gz WAYHRQDTTHIVIC-GTCCEBARSA-N 1 0 418.501 3.670 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@H]21 ZINC001165020727 721829693 /nfs/dbraw/zinc/82/96/93/721829693.db2.gz DNBXZYKDHOVTBY-YVWKXTFCSA-N 1 0 418.501 3.670 20 5 HHBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301204853 970806731 /nfs/dbraw/zinc/80/67/31/970806731.db2.gz RZKXQMYMAARVKH-ZDUSSCGKSA-N 1 0 420.863 3.873 20 5 HHBDRO O=[N+]([O-])c1cc(Br)ccc1Sc1nnc([C@H]2CCC[NH2+]C2)n1C1CC1 ZINC000301265283 970841677 /nfs/dbraw/zinc/84/16/77/970841677.db2.gz FCVTXQSFALBJCZ-JTQLQIEISA-N 1 0 424.324 3.902 20 5 HHBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301273103 970843516 /nfs/dbraw/zinc/84/35/16/970843516.db2.gz RKLAYVQAVZUNKS-GFCCVEGCSA-N 1 0 405.467 3.514 20 5 HHBDRO O=C(c1ccccc1)c1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000301277934 970846676 /nfs/dbraw/zinc/84/66/76/970846676.db2.gz MVLLPPCMKXDNTH-KRWDZBQOSA-N 1 0 409.486 3.739 20 5 HHBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CCC[N@H+](Cc3ccccc3)CC2)cc1Cl ZINC000301349109 970881629 /nfs/dbraw/zinc/88/16/29/970881629.db2.gz LVFRMDZEPHXTAL-UHFFFAOYSA-N 1 0 403.866 3.747 20 5 HHBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000301371575 970891729 /nfs/dbraw/zinc/89/17/29/970891729.db2.gz SUNKIFPHAGPXPT-SFHVURJKSA-N 1 0 400.435 3.784 20 5 HHBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000301484651 970953394 /nfs/dbraw/zinc/95/33/94/970953394.db2.gz VQGSXENZXHELLW-UHFFFAOYSA-N 1 0 417.478 3.800 20 5 HHBDRO COC(=O)c1cc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc(C)c1[N+](=O)[O-] ZINC000301547878 970974280 /nfs/dbraw/zinc/97/42/80/970974280.db2.gz FSEUOJCGYMLXQL-UHFFFAOYSA-N 1 0 401.438 3.541 20 5 HHBDRO O=C1COc2cc([N+](=O)[O-])c(NCc3ccc(C[NH+]4CCCCCC4)cc3)cc2N1 ZINC000301668036 971021189 /nfs/dbraw/zinc/02/11/89/971021189.db2.gz DBNFSBWBYXQTID-UHFFFAOYSA-N 1 0 410.474 3.914 20 5 HHBDRO O=C1COc2cc([N+](=O)[O-])c(NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cc2N1 ZINC000301692422 971030516 /nfs/dbraw/zinc/03/05/16/971030516.db2.gz OGGLHSBEOCAQBP-ALOPSCKCSA-N 1 0 408.458 3.533 20 5 HHBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1O2 ZINC000301750198 971052399 /nfs/dbraw/zinc/05/23/99/971052399.db2.gz QFNBCYYABDDXHC-GOSISDBHSA-N 1 0 415.877 3.966 20 5 HHBDRO CC1CC[NH+](C2CCC(Nc3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC2)CC1 ZINC000301779663 971063358 /nfs/dbraw/zinc/06/33/58/971063358.db2.gz QXFNYYZBHMDXMN-UHFFFAOYSA-N 1 0 400.523 3.942 20 5 HHBDRO Cc1cc(NCC2([NH+]3CCCCC3)CCN(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301817205 971074484 /nfs/dbraw/zinc/07/44/84/971074484.db2.gz HRUITFQSFDTFGH-UHFFFAOYSA-N 1 0 424.549 3.722 20 5 HHBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c(Br)cncc1[N+](=O)[O-] ZINC000301876380 971095640 /nfs/dbraw/zinc/09/56/40/971095640.db2.gz ITNTUYFBGPVWED-HNNXBMFYSA-N 1 0 405.296 3.711 20 5 HHBDRO CNC(=O)c1ccc(NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000301901193 971107051 /nfs/dbraw/zinc/10/70/51/971107051.db2.gz ZWGLVNWDPHWOGE-KUHUBIRLSA-N 1 0 420.872 3.852 20 5 HHBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C2)CC1 ZINC000301977108 971139766 /nfs/dbraw/zinc/13/97/66/971139766.db2.gz FGQRVKHTVTZTEW-IBGZPJMESA-N 1 0 414.550 3.779 20 5 HHBDRO CC(C)NC(=O)c1ccc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000302003581 971149737 /nfs/dbraw/zinc/14/97/37/971149737.db2.gz YJSKTXHYGXACAC-GOSISDBHSA-N 1 0 402.539 3.681 20 5 HHBDRO C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302039216 971158501 /nfs/dbraw/zinc/15/85/01/971158501.db2.gz HDNCUQHDYABLKV-STQMWFEESA-N 1 0 417.478 3.656 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000302075612 971170293 /nfs/dbraw/zinc/17/02/93/971170293.db2.gz WAYCZRYIUQJVFS-IRXDYDNUSA-N 1 0 400.523 3.578 20 5 HHBDRO O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc2N1 ZINC000302159403 971190890 /nfs/dbraw/zinc/19/08/90/971190890.db2.gz NOBHJDAENXOLIV-RCCFBDPRSA-N 1 0 422.485 3.638 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000302173034 971195466 /nfs/dbraw/zinc/19/54/66/971195466.db2.gz MYOZGWSQPOZCSC-UWJYYQICSA-N 1 0 408.502 3.763 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000524255690 1013066628 /nfs/dbraw/zinc/06/66/28/1013066628.db2.gz LMWHAZUCIIAQGU-BETUJISGSA-N 1 0 412.328 3.844 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302613471 971264181 /nfs/dbraw/zinc/26/41/81/971264181.db2.gz FNTCHRUGFJFQHQ-MRXNPFEDSA-N 1 0 417.531 3.985 20 5 HHBDRO Cc1cc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302686031 971279652 /nfs/dbraw/zinc/27/96/52/971279652.db2.gz AHZWXBNJBWJHJE-UHFFFAOYSA-N 1 0 402.458 3.650 20 5 HHBDRO CC1CC[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)cc2)CC1 ZINC000302730151 971293200 /nfs/dbraw/zinc/29/32/00/971293200.db2.gz VIFVXZLRDULBGJ-UHFFFAOYSA-N 1 0 417.531 3.842 20 5 HHBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000302977177 971431148 /nfs/dbraw/zinc/43/11/48/971431148.db2.gz HECWTALPPCGDBJ-QGZVFWFLSA-N 1 0 411.911 3.610 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000303027543 971463784 /nfs/dbraw/zinc/46/37/84/971463784.db2.gz WHMZWHRTDQTYHP-CQSZACIVSA-N 1 0 423.485 3.944 20 5 HHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000303076441 971490731 /nfs/dbraw/zinc/49/07/31/971490731.db2.gz ZJEPVGNVONQKJJ-UHFFFAOYSA-N 1 0 408.405 3.970 20 5 HHBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000303639672 971919201 /nfs/dbraw/zinc/91/92/01/971919201.db2.gz HGXIMQWACYELEX-KRWDZBQOSA-N 1 0 419.485 3.736 20 5 HHBDRO C[C@@H]1C[C@@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303746134 971999099 /nfs/dbraw/zinc/99/90/99/971999099.db2.gz JZFICENWYWBWCV-GCJKJVERSA-N 1 0 410.518 3.543 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000303797641 972035131 /nfs/dbraw/zinc/03/51/31/972035131.db2.gz GFDOWDAHQXARLT-LJQANCHMSA-N 1 0 410.518 3.910 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000542191418 1013133739 /nfs/dbraw/zinc/13/37/39/1013133739.db2.gz ACELNMPUWNIJMI-UHFFFAOYSA-N 1 0 409.458 3.556 20 5 HHBDRO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000537628936 1013181473 /nfs/dbraw/zinc/18/14/73/1013181473.db2.gz MKELXEMIZOVLJT-NRFANRHFSA-N 1 0 419.485 3.623 20 5 HHBDRO CNC(=O)CCOC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000537688241 1013251639 /nfs/dbraw/zinc/25/16/39/1013251639.db2.gz PQTZBQQHDFPEGU-UHFFFAOYSA-N 1 0 421.881 3.625 20 5 HHBDRO COc1ccc(-c2ccc(CN3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000537698780 1013264134 /nfs/dbraw/zinc/26/41/34/1013264134.db2.gz XTPFKLAMUKFXON-VQPPSCEASA-N 1 0 415.490 3.547 20 5 HHBDRO COC(=O)c1cc(C)nc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000553483214 1013388996 /nfs/dbraw/zinc/38/89/96/1013388996.db2.gz WCPZHUZOAFAISQ-INIZCTEOSA-N 1 0 404.511 3.566 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000542455103 1013403415 /nfs/dbraw/zinc/40/34/15/1013403415.db2.gz PRALUMBSUONMNA-KRWDZBQOSA-N 1 0 418.538 3.790 20 5 HHBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000023139563 963774239 /nfs/dbraw/zinc/77/42/39/963774239.db2.gz VXOBNHNGGMDPDH-UHFFFAOYSA-N 1 0 402.882 3.951 20 5 HHBDRO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000025302244 964234474 /nfs/dbraw/zinc/23/44/74/964234474.db2.gz GQGQOPNMSBYWEQ-DENIHFKCSA-N 1 0 400.475 3.960 20 5 HHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000553590290 1013484893 /nfs/dbraw/zinc/48/48/93/1013484893.db2.gz XWHNJXMCMIOLJO-LJQANCHMSA-N 1 0 407.474 3.956 20 5 HHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000553590289 1013484923 /nfs/dbraw/zinc/48/49/23/1013484923.db2.gz XWHNJXMCMIOLJO-IBGZPJMESA-N 1 0 407.474 3.956 20 5 HHBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000050612018 964365010 /nfs/dbraw/zinc/36/50/10/964365010.db2.gz YYAOYHRQUCCFKS-UHFFFAOYSA-N 1 0 402.520 3.911 20 5 HHBDRO COc1ccc(Br)cc1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026225267 964492347 /nfs/dbraw/zinc/49/23/47/964492347.db2.gz LMRRZRBMQOJIEG-UHFFFAOYSA-N 1 0 422.279 3.827 20 5 HHBDRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)c(C)c2c1 ZINC000542582336 1013523306 /nfs/dbraw/zinc/52/33/06/1013523306.db2.gz RVXDMQGTMMXWHV-ZDUSSCGKSA-N 1 0 413.430 3.956 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000537952345 1013532952 /nfs/dbraw/zinc/53/29/52/1013532952.db2.gz BKWQEPAUTZFQIS-ZDUSSCGKSA-N 1 0 406.280 3.907 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)c(C)c2)CC1 ZINC000052606712 964936511 /nfs/dbraw/zinc/93/65/11/964936511.db2.gz CILPCFLJKRSAHG-UHFFFAOYSA-N 1 0 407.474 3.779 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N2CCC(C[NH+]3CCCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000052713774 964960210 /nfs/dbraw/zinc/96/02/10/964960210.db2.gz CVGJCIMMTHEWLG-SFHVURJKSA-N 1 0 402.539 3.818 20 5 HHBDRO CC(C)NC(=O)c1ccc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000553680852 1013541997 /nfs/dbraw/zinc/54/19/97/1013541997.db2.gz UHHJQPNIKAORSC-DEOSSOPVSA-N 1 0 422.529 3.835 20 5 HHBDRO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000053040362 965046471 /nfs/dbraw/zinc/04/64/71/965046471.db2.gz OHEBNZFZZFQBCK-UHFFFAOYSA-N 1 0 419.865 3.683 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000537972928 1013549635 /nfs/dbraw/zinc/54/96/35/1013549635.db2.gz JGBQHRMENRPXQS-INIZCTEOSA-N 1 0 405.520 3.785 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1COc2ccccc21 ZINC000542620316 1013555863 /nfs/dbraw/zinc/55/58/63/1013555863.db2.gz ROXPGCRRTAJKOM-SUMWQHHRSA-N 1 0 424.482 3.811 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053808771 965276623 /nfs/dbraw/zinc/27/66/23/965276623.db2.gz WAWIAMPOUJBZGI-MRXNPFEDSA-N 1 0 411.506 3.767 20 5 HHBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000029178213 965298673 /nfs/dbraw/zinc/29/86/73/965298673.db2.gz VMCUGRWECFURMX-NRFANRHFSA-N 1 0 422.529 3.765 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000542626817 1013562469 /nfs/dbraw/zinc/56/24/69/1013562469.db2.gz MCLCFGMICNXPPG-IEBWSBKVSA-N 1 0 401.438 3.833 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000054260449 965446904 /nfs/dbraw/zinc/44/69/04/965446904.db2.gz VNWBSPLRJHCSDW-ROUUACIJSA-N 1 0 416.566 3.684 20 5 HHBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)CC1 ZINC000058773776 965892179 /nfs/dbraw/zinc/89/21/79/965892179.db2.gz JFCFJGQFLGFRKZ-UHFFFAOYSA-N 1 0 413.474 4.000 20 5 HHBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000032217511 966202339 /nfs/dbraw/zinc/20/23/39/966202339.db2.gz OAUBDRAWUIDSNN-JOCHJYFZSA-N 1 0 408.502 3.762 20 5 HHBDRO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196451 966254791 /nfs/dbraw/zinc/25/47/91/966254791.db2.gz YRHXTHPXKWQAIB-HOTGVXAUSA-N 1 0 412.490 3.755 20 5 HHBDRO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196045 966254922 /nfs/dbraw/zinc/25/49/22/966254922.db2.gz VXXOEKPKMCNIOE-QLFBSQMISA-N 1 0 401.463 3.529 20 5 HHBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032738003 966321862 /nfs/dbraw/zinc/32/18/62/966321862.db2.gz ZKPXHGWRUALUNS-UHFFFAOYSA-N 1 0 407.474 3.551 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1OC ZINC000032762112 966324535 /nfs/dbraw/zinc/32/45/35/966324535.db2.gz ZWXPOOZKIREIIM-INIZCTEOSA-N 1 0 419.503 3.631 20 5 HHBDRO CCC[NH2+]Cc1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(OCC)c1 ZINC000061003449 966347970 /nfs/dbraw/zinc/34/79/70/966347970.db2.gz IUJYGSOCWCXDOG-UHFFFAOYSA-N 1 0 402.447 3.939 20 5 HHBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000036332440 966430481 /nfs/dbraw/zinc/43/04/81/966430481.db2.gz IDTXTXHBHKDJTN-LJQANCHMSA-N 1 0 414.531 3.823 20 5 HHBDRO COc1ccc(OC)c(C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C2CC2)c1 ZINC000063494222 966875095 /nfs/dbraw/zinc/87/50/95/966875095.db2.gz QWFGGFNKPJFYBS-UHFFFAOYSA-N 1 0 413.474 3.914 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000043149385 966919102 /nfs/dbraw/zinc/91/91/02/966919102.db2.gz IQRHZNIBHKFVTC-IRXDYDNUSA-N 1 0 412.490 3.834 20 5 HHBDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000043342529 966956466 /nfs/dbraw/zinc/95/64/66/966956466.db2.gz KLGQOHXRYWQQRU-UHFFFAOYSA-N 1 0 418.881 3.997 20 5 HHBDRO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000064628004 967253470 /nfs/dbraw/zinc/25/34/70/967253470.db2.gz JJKGLIVHLFLHFU-HNNXBMFYSA-N 1 0 418.881 3.763 20 5 HHBDRO CCc1ccc([C@H](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000064693332 967271302 /nfs/dbraw/zinc/27/13/02/967271302.db2.gz UHIFFCLHMUSHBP-NRFANRHFSA-N 1 0 421.501 3.590 20 5 HHBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000065073126 967365952 /nfs/dbraw/zinc/36/59/52/967365952.db2.gz LDZRAZKHPOMOPF-UHFFFAOYSA-N 1 0 421.501 3.767 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000538178052 1013737245 /nfs/dbraw/zinc/73/72/45/1013737245.db2.gz PCKFRYGFZGEWDZ-SECBINFHSA-N 1 0 414.206 3.925 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)c([N+](=O)[O-])c1 ZINC000538187329 1013744527 /nfs/dbraw/zinc/74/45/27/1013744527.db2.gz FRSROOYQHOPFGF-CQSZACIVSA-N 1 0 417.462 3.608 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@H](COc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000538218002 1013769784 /nfs/dbraw/zinc/76/97/84/1013769784.db2.gz NHBHWQIBXPTLOP-OAQYLSRUSA-N 1 0 421.453 3.952 20 5 HHBDRO Cc1[nH]nc(C(=O)Nc2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)c1[N+](=O)[O-] ZINC000538220406 1013771811 /nfs/dbraw/zinc/77/18/11/1013771811.db2.gz DXRAZDPRODXKQP-SFHVURJKSA-N 1 0 415.494 3.658 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000048236893 968495504 /nfs/dbraw/zinc/49/55/04/968495504.db2.gz KMEYOQLBQXPEHN-CQSZACIVSA-N 1 0 417.428 3.920 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+]1CCCC1 ZINC000048299510 968515384 /nfs/dbraw/zinc/51/53/84/968515384.db2.gz HWQNEXYPLAFHAD-LJQANCHMSA-N 1 0 408.458 3.652 20 5 HHBDRO Cc1c(CNC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] ZINC000554122112 1013808161 /nfs/dbraw/zinc/80/81/61/1013808161.db2.gz QTUDQYRXUVACBZ-HSZRJFAPSA-N 1 0 408.502 3.711 20 5 HHBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000065844112 968678733 /nfs/dbraw/zinc/67/87/33/968678733.db2.gz AMUVJWOGUCKTHI-UHFFFAOYSA-N 1 0 406.486 3.592 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000065869129 968690134 /nfs/dbraw/zinc/69/01/34/968690134.db2.gz JSBKCYCYRPAEJK-UHFFFAOYSA-N 1 0 406.486 3.639 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000065936598 968724640 /nfs/dbraw/zinc/72/46/40/968724640.db2.gz BZGUFRXXFKHSAQ-UHFFFAOYSA-N 1 0 400.866 3.934 20 5 HHBDRO CC1CC[NH+]([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c2cccs2)CC1 ZINC000069210843 968819989 /nfs/dbraw/zinc/81/99/89/968819989.db2.gz OFZBGNPPEIXWAJ-LJQANCHMSA-N 1 0 416.547 3.925 20 5 HHBDRO CC1CC[NH+]([C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c2cccs2)CC1 ZINC000071862604 968875493 /nfs/dbraw/zinc/87/54/93/968875493.db2.gz PAKPJSBVNGDFTO-QGZVFWFLSA-N 1 0 413.503 3.736 20 5 HHBDRO CCCc1n[nH]c(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000078775070 969017545 /nfs/dbraw/zinc/01/75/45/969017545.db2.gz MWEOOEXWXIJPMI-HZPDHXFCSA-N 1 0 413.522 3.678 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])cc1 ZINC000097476009 969142788 /nfs/dbraw/zinc/14/27/88/969142788.db2.gz WIYFRDTVONAVFS-HNNXBMFYSA-N 1 0 407.474 3.818 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000107585265 969317718 /nfs/dbraw/zinc/31/77/18/969317718.db2.gz NLXHBYFOKHPAFW-SFHVURJKSA-N 1 0 410.518 3.945 20 5 HHBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000109278800 969490370 /nfs/dbraw/zinc/49/03/70/969490370.db2.gz SMQLSPOKESXVRU-UHFFFAOYSA-N 1 0 419.485 3.696 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000109484974 969523726 /nfs/dbraw/zinc/52/37/26/969523726.db2.gz BFSDXZYIFYVHBK-UHFFFAOYSA-N 1 0 423.498 3.582 20 5 HHBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000110350528 969656886 /nfs/dbraw/zinc/65/68/86/969656886.db2.gz HEVDARMYWKOPSQ-OAHLLOKOSA-N 1 0 414.428 3.502 20 5 HHBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000115581110 969843016 /nfs/dbraw/zinc/84/30/16/969843016.db2.gz OGLYPHWUTBOSPA-KRWDZBQOSA-N 1 0 402.539 3.776 20 5 HHBDRO CCC[NH+]1CCC(CNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000116360616 969888570 /nfs/dbraw/zinc/88/85/70/969888570.db2.gz UCBVRNXXQAYQJO-QGZVFWFLSA-N 1 0 402.539 3.683 20 5 HHBDRO CSc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000195724829 969984027 /nfs/dbraw/zinc/98/40/27/969984027.db2.gz ANNZHKAUWVUNST-UHFFFAOYSA-N 1 0 409.458 3.799 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000138427950 969994046 /nfs/dbraw/zinc/99/40/46/969994046.db2.gz MXIHMZXZGJLJTN-HNNXBMFYSA-N 1 0 417.893 3.928 20 5 HHBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCC[N@H+](Cc4cccs4)C3)cc2N1 ZINC000195750244 970000229 /nfs/dbraw/zinc/00/02/29/970000229.db2.gz HRGQGHICCNYZPK-CQSZACIVSA-N 1 0 400.504 3.865 20 5 HHBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000138650376 970006264 /nfs/dbraw/zinc/00/62/64/970006264.db2.gz AJVODOPOYLCYOF-UHFFFAOYSA-N 1 0 403.529 3.874 20 5 HHBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000140206514 970068827 /nfs/dbraw/zinc/06/88/27/970068827.db2.gz RHNKOPUWMYMRGQ-OAHLLOKOSA-N 1 0 405.545 3.777 20 5 HHBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000237003426 970205099 /nfs/dbraw/zinc/20/50/99/970205099.db2.gz KCXPGPIKKKWRRF-MAUKXSAKSA-N 1 0 402.495 3.856 20 5 HHBDRO COc1cc(C[NH2+]CCCC(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000237145719 970231199 /nfs/dbraw/zinc/23/11/99/970231199.db2.gz RRMABRRHAAZOGX-UHFFFAOYSA-N 1 0 407.854 3.774 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@]2(C)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237150018 970232117 /nfs/dbraw/zinc/23/21/17/970232117.db2.gz GXIBVUBNKWRLOS-YADHBBJMSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1cc(C[NH2+]Cc2c(C)nn(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237288802 970256573 /nfs/dbraw/zinc/25/65/73/970256573.db2.gz HYHAHIOZEAUZAN-UHFFFAOYSA-N 1 0 410.474 3.823 20 5 HHBDRO COc1cc(CNC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237353404 970268864 /nfs/dbraw/zinc/26/88/64/970268864.db2.gz BHQPBBXLFZUOPR-UHFFFAOYSA-N 1 0 411.502 3.899 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237376885 970273619 /nfs/dbraw/zinc/27/36/19/970273619.db2.gz YROIFXFXTVYHCH-LPHOPBHVSA-N 1 0 411.502 3.897 20 5 HHBDRO COc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC000237426599 970283860 /nfs/dbraw/zinc/28/38/60/970283860.db2.gz LYDFXLUMAYJRCF-OAHLLOKOSA-N 1 0 420.307 3.982 20 5 HHBDRO COc1cc(CN[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237441395 970289291 /nfs/dbraw/zinc/28/92/91/970289291.db2.gz RRSNYEVEZFAXKN-LPHOPBHVSA-N 1 0 411.502 3.897 20 5 HHBDRO COc1ccc(C[NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cn1 ZINC000237479539 970295204 /nfs/dbraw/zinc/29/52/04/970295204.db2.gz AQLBGRRLCSFJOM-UHFFFAOYSA-N 1 0 409.442 3.876 20 5 HHBDRO Cn1cc(C[NH2+]CC2(c3ccccc3)CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237754836 970355091 /nfs/dbraw/zinc/35/50/91/970355091.db2.gz ZYKKEEXTDUWKOW-UHFFFAOYSA-N 1 0 406.486 3.833 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000237903239 970391460 /nfs/dbraw/zinc/39/14/60/970391460.db2.gz LUJKJXBVSLYZMX-LJQANCHMSA-N 1 0 409.408 3.777 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCc3nnc4n3CCCCC4)cs2)c1 ZINC000238006466 970416473 /nfs/dbraw/zinc/41/64/73/970416473.db2.gz KXMWQDCWQHAOEY-UHFFFAOYSA-N 1 0 412.519 3.759 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000150204734 970433802 /nfs/dbraw/zinc/43/38/02/970433802.db2.gz MUYPWULGMJCIIR-INIZCTEOSA-N 1 0 408.462 3.506 20 5 HHBDRO O=C1COc2ccccc2N1CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000238101213 970440051 /nfs/dbraw/zinc/44/00/51/970440051.db2.gz YXAMIVVZRCGHPP-UHFFFAOYSA-N 1 0 407.426 3.760 20 5 HHBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000169311295 970466114 /nfs/dbraw/zinc/46/61/14/970466114.db2.gz OQSOKBTVLGPPBU-UHFFFAOYSA-N 1 0 405.502 3.507 20 5 HHBDRO CC(C)Cc1ccc([C@@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000554664763 1014005526 /nfs/dbraw/zinc/00/55/26/1014005526.db2.gz VABPWHRJVLPHIY-QGZVFWFLSA-N 1 0 401.511 3.673 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1SC ZINC000554723354 1014031680 /nfs/dbraw/zinc/03/16/80/1014031680.db2.gz ABKDRJAZZPTEFJ-CQSZACIVSA-N 1 0 403.504 3.576 20 5 HHBDRO CNC(=O)c1ccc(NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000301105637 970751311 /nfs/dbraw/zinc/75/13/11/970751311.db2.gz SXLLYPARVTUFBE-SFHVURJKSA-N 1 0 402.520 3.901 20 5 HHBDRO CC1CC[NH+]([C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000410158802 973649368 /nfs/dbraw/zinc/64/93/68/973649368.db2.gz SJHANYSDHWOHJC-GOSISDBHSA-N 1 0 402.520 3.929 20 5 HHBDRO Cn1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(-c2ccccc2Cl)n1 ZINC000425984678 974095659 /nfs/dbraw/zinc/09/56/59/974095659.db2.gz KMXAAKZUSSOPAD-UHFFFAOYSA-N 1 0 400.870 3.682 20 5 HHBDRO COC(=O)c1ccccc1-c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000425995676 974110209 /nfs/dbraw/zinc/11/02/09/974110209.db2.gz MGZLOEUYGONBDR-UHFFFAOYSA-N 1 0 410.430 3.675 20 5 HHBDRO C[NH+](C)CCc1ccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000426236880 974333348 /nfs/dbraw/zinc/33/33/48/974333348.db2.gz KEILFLNCWMJONX-UHFFFAOYSA-N 1 0 424.423 3.717 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@](O)(C4CC4)C3)o2)c(Br)c1 ZINC000426504319 974492276 /nfs/dbraw/zinc/49/22/76/974492276.db2.gz MVEFNGVSUMNWTA-GOSISDBHSA-N 1 0 407.264 3.964 20 5 HHBDRO C[NH+](C)CCOc1ccccc1N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000426996155 974808567 /nfs/dbraw/zinc/80/85/67/974808567.db2.gz XRYGRCYBCKZDPH-UHFFFAOYSA-N 1 0 418.925 3.511 20 5 HHBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)cc1OC(F)F ZINC000427396165 975093445 /nfs/dbraw/zinc/09/34/45/975093445.db2.gz DGVKFZYKBIEQIQ-UHFFFAOYSA-N 1 0 407.417 3.834 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000427473551 975137508 /nfs/dbraw/zinc/13/75/08/975137508.db2.gz LZLKCTJMFGQYKR-UHFFFAOYSA-N 1 0 401.488 3.713 20 5 HHBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)C[C@H]2C1 ZINC000427774960 975281245 /nfs/dbraw/zinc/28/12/45/975281245.db2.gz AJVAFDPGZQWXKR-GASCZTMLSA-N 1 0 401.850 3.674 20 5 HHBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000428071730 975418240 /nfs/dbraw/zinc/41/82/40/975418240.db2.gz SAUGOOZPWXMTFL-OAQYLSRUSA-N 1 0 400.475 3.918 20 5 HHBDRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000428534589 975830750 /nfs/dbraw/zinc/83/07/50/975830750.db2.gz GDEZJFVYZWUBCZ-IBGZPJMESA-N 1 0 413.477 3.500 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)c(Cl)c1 ZINC000428540190 975842279 /nfs/dbraw/zinc/84/22/79/975842279.db2.gz ULFDZPHUQUSHFY-CYBMUJFWSA-N 1 0 413.699 3.952 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000428541010 975843960 /nfs/dbraw/zinc/84/39/60/975843960.db2.gz DMAVJXTUXUDWNV-OUOZUETKSA-N 1 0 405.292 3.811 20 5 HHBDRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000428549793 975858239 /nfs/dbraw/zinc/85/82/39/975858239.db2.gz HIDOGFFRKYIZSI-SFHVURJKSA-N 1 0 424.482 3.537 20 5 HHBDRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000428549792 975858939 /nfs/dbraw/zinc/85/89/39/975858939.db2.gz HIDOGFFRKYIZSI-GOSISDBHSA-N 1 0 424.482 3.537 20 5 HHBDRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000428703164 975994136 /nfs/dbraw/zinc/99/41/36/975994136.db2.gz VCBKAZGFGZQEQF-QGZVFWFLSA-N 1 0 418.881 3.661 20 5 HHBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(OCC)c(OCC)cc2[N+](=O)[O-])C1 ZINC000429250237 976538986 /nfs/dbraw/zinc/53/89/86/976538986.db2.gz FWTXFMJYIXAZKE-OAHLLOKOSA-N 1 0 408.499 3.588 20 5 HHBDRO CC(C)([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000429277575 976561801 /nfs/dbraw/zinc/56/18/01/976561801.db2.gz ZBWGDIBHSFSUSU-UHFFFAOYSA-N 1 0 411.483 3.782 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429605978 976888857 /nfs/dbraw/zinc/88/88/57/976888857.db2.gz AHQRWIOKMGNBSZ-IBGZPJMESA-N 1 0 412.490 3.624 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429607075 976890561 /nfs/dbraw/zinc/89/05/61/976890561.db2.gz CZRWRGNDLDNEFR-LJQANCHMSA-N 1 0 412.490 3.624 20 5 HHBDRO COc1ccc([C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000429846755 977117992 /nfs/dbraw/zinc/11/79/92/977117992.db2.gz ZEYGTNYVLRQEPW-NRFANRHFSA-N 1 0 411.502 3.834 20 5 HHBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429964692 977233896 /nfs/dbraw/zinc/23/38/96/977233896.db2.gz RFNRDVJSHVBNNJ-UHFFFAOYSA-N 1 0 418.291 3.536 20 5 HHBDRO CC(C)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000429973042 977239526 /nfs/dbraw/zinc/23/95/26/977239526.db2.gz USHXWMRGWGOLEI-QGZVFWFLSA-N 1 0 412.328 3.844 20 5 HHBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000430051650 977298541 /nfs/dbraw/zinc/29/85/41/977298541.db2.gz MOMNZLCYVOMSAQ-HNNXBMFYSA-N 1 0 416.275 3.982 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000430236248 977409624 /nfs/dbraw/zinc/40/96/24/977409624.db2.gz GHCHLSGLJHUVQA-CQSZACIVSA-N 1 0 404.854 3.503 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430345609 977491415 /nfs/dbraw/zinc/49/14/15/977491415.db2.gz RICNPHZAFXHPGZ-UHFFFAOYSA-N 1 0 419.485 3.767 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000430619302 977656984 /nfs/dbraw/zinc/65/69/84/977656984.db2.gz AYMVVOFEQKJIMW-FXAWDEMLSA-N 1 0 419.485 3.563 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000430652760 977669589 /nfs/dbraw/zinc/66/95/89/977669589.db2.gz NZOMMFXOVBMXHR-NQIIRXRSSA-N 1 0 422.529 3.978 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000430666126 977677625 /nfs/dbraw/zinc/67/76/25/977677625.db2.gz YHOOZMALIHINNQ-MAUKXSAKSA-N 1 0 401.894 3.960 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000430666128 977677713 /nfs/dbraw/zinc/67/77/13/977677713.db2.gz YHOOZMALIHINNQ-QAPCUYQASA-N 1 0 401.894 3.960 20 5 HHBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000430861061 977819632 /nfs/dbraw/zinc/81/96/32/977819632.db2.gz AFWAJDHCLXRULC-XMSQKQJNSA-N 1 0 408.502 3.763 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430949004 977908609 /nfs/dbraw/zinc/90/86/09/977908609.db2.gz AUDVFWKLPRBABG-UHFFFAOYSA-N 1 0 424.270 3.700 20 5 HHBDRO Cc1ccc(NC(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000431096623 978016412 /nfs/dbraw/zinc/01/64/12/978016412.db2.gz ZVCJJLKUQCNSIT-UHFFFAOYSA-N 1 0 417.554 3.563 20 5 HHBDRO Cc1cc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(C2CC[NH+](C)CC2)n1 ZINC000431103216 978020040 /nfs/dbraw/zinc/02/00/40/978020040.db2.gz PEVKMAPSZIIOLW-HNNXBMFYSA-N 1 0 400.483 3.558 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431164268 978065028 /nfs/dbraw/zinc/06/50/28/978065028.db2.gz UXALRQDTPWXTKQ-BETUJISGSA-N 1 0 412.328 3.844 20 5 HHBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431166391 978066788 /nfs/dbraw/zinc/06/67/88/978066788.db2.gz IYTMUEFFGPKBPU-INIZCTEOSA-N 1 0 418.291 3.752 20 5 HHBDRO CCc1ccc([C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000431173816 978073203 /nfs/dbraw/zinc/07/32/03/978073203.db2.gz VXDXWYBZBVCXLM-SFHVURJKSA-N 1 0 420.307 3.952 20 5 HHBDRO CC(C)(NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000431866972 978561078 /nfs/dbraw/zinc/56/10/78/978561078.db2.gz XZOSBEZWECANOO-UHFFFAOYSA-N 1 0 410.518 3.836 20 5 HHBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)CC1 ZINC000431932878 978608200 /nfs/dbraw/zinc/60/82/00/978608200.db2.gz BJXGTHFTLSXXNW-OAHLLOKOSA-N 1 0 424.339 3.941 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432582712 978900433 /nfs/dbraw/zinc/90/04/33/978900433.db2.gz WSQJSPCAWCDJEC-MRXNPFEDSA-N 1 0 409.552 3.574 20 5 HHBDRO Cn1cc(CNc2cccc3c2OCC[C@@H]3[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000433181068 979124051 /nfs/dbraw/zinc/12/40/51/979124051.db2.gz JBPNCAYORNZFHH-FQEVSTJZSA-N 1 0 407.474 3.993 20 5 HHBDRO COc1cc(C[C@H](CO)C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc(OC)c1 ZINC000433296178 979221756 /nfs/dbraw/zinc/22/17/56/979221756.db2.gz HBNRQBNTHLIWMG-KSFYIVLOSA-N 1 0 414.502 3.775 20 5 HHBDRO CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434154967 979915966 /nfs/dbraw/zinc/91/59/66/979915966.db2.gz RAHQNZVSTQEBBS-UHFFFAOYSA-N 1 0 424.501 3.920 20 5 HHBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000434315378 980076506 /nfs/dbraw/zinc/07/65/06/980076506.db2.gz JCQUWGDKLLYCPA-INIZCTEOSA-N 1 0 411.487 3.861 20 5 HHBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000434315379 980076766 /nfs/dbraw/zinc/07/67/66/980076766.db2.gz JCQUWGDKLLYCPA-MRXNPFEDSA-N 1 0 411.487 3.861 20 5 HHBDRO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000434500083 980213665 /nfs/dbraw/zinc/21/36/65/980213665.db2.gz PYFQILGZVZPIKE-IBGZPJMESA-N 1 0 421.501 3.641 20 5 HHBDRO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000434623483 980304032 /nfs/dbraw/zinc/30/40/32/980304032.db2.gz LMACNYLZBIMSIZ-FQEVSTJZSA-N 1 0 403.410 3.730 20 5 HHBDRO O=C(CCc1ccccc1)N1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000434991746 980554131 /nfs/dbraw/zinc/55/41/31/980554131.db2.gz QGSABLUVOHDESE-UHFFFAOYSA-N 1 0 411.502 3.531 20 5 HHBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000436310993 981291988 /nfs/dbraw/zinc/29/19/88/981291988.db2.gz WHZNIAABOUZUGT-UHFFFAOYSA-N 1 0 413.468 3.810 20 5 HHBDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000436727171 981533714 /nfs/dbraw/zinc/53/37/14/981533714.db2.gz YAAOVJDPIIQXOV-FQEVSTJZSA-N 1 0 422.529 3.721 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)O[C@]4(CCO[C@@H]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000448362975 981724607 /nfs/dbraw/zinc/72/46/07/981724607.db2.gz PLUTWTNZYPAUKZ-PDSXEYIOSA-N 1 0 402.447 3.632 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)O[C@@]4(CCO[C@H]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000448362974 981724684 /nfs/dbraw/zinc/72/46/84/981724684.db2.gz PLUTWTNZYPAUKZ-GXZWQRSESA-N 1 0 402.447 3.632 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000437103686 981762469 /nfs/dbraw/zinc/76/24/69/981762469.db2.gz ATCUXEGJZBTXQU-XLIONFOSSA-N 1 0 409.465 3.875 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)[NH+]2CCCC2)cc1 ZINC000460152190 981925847 /nfs/dbraw/zinc/92/58/47/981925847.db2.gz SHTXNEWLKTVPBL-OAQYLSRUSA-N 1 0 424.501 3.644 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000460349856 982122145 /nfs/dbraw/zinc/12/21/45/982122145.db2.gz HYDUSCXFDUEAOH-IRXDYDNUSA-N 1 0 421.501 3.891 20 5 HHBDRO O=C(CN(CCC(F)(F)F)CC1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000437504578 982130824 /nfs/dbraw/zinc/13/08/24/982130824.db2.gz MDGCIEOUFGJALS-UHFFFAOYSA-N 1 0 424.217 3.960 20 5 HHBDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(C)C)C[C@@H]1C ZINC000460602854 982383682 /nfs/dbraw/zinc/38/36/82/982383682.db2.gz DIAATURWRRLLFG-QFBILLFUSA-N 1 0 400.527 3.818 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1SC ZINC000437851614 982408663 /nfs/dbraw/zinc/40/86/63/982408663.db2.gz OTXNVTGIPLRWJB-HNNXBMFYSA-N 1 0 407.536 3.852 20 5 HHBDRO C[NH+](C)Cc1cc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000437968926 982495963 /nfs/dbraw/zinc/49/59/63/982495963.db2.gz JYHOIHXUDHVPCG-UHFFFAOYSA-N 1 0 400.454 3.670 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000438335875 982729831 /nfs/dbraw/zinc/72/98/31/982729831.db2.gz HQMQCKDXXGDQCE-OAQYLSRUSA-N 1 0 400.475 3.775 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000461416359 983080312 /nfs/dbraw/zinc/08/03/12/983080312.db2.gz FCVOPWWDURHDSC-RBUKOAKNSA-N 1 0 414.550 3.779 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461455604 983121914 /nfs/dbraw/zinc/12/19/14/983121914.db2.gz LSYVQGJLJGSWKG-NHCUHLMSSA-N 1 0 422.529 3.767 20 5 HHBDRO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000438864891 983129782 /nfs/dbraw/zinc/12/97/82/983129782.db2.gz LEBKQQYYWGHZEF-IAGOWNOFSA-N 1 0 411.506 3.884 20 5 HHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000438961466 983180004 /nfs/dbraw/zinc/18/00/04/983180004.db2.gz JXJGAKUHDMMEQH-UHFFFAOYSA-N 1 0 417.897 3.734 20 5 HHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000439121832 983260675 /nfs/dbraw/zinc/26/06/75/983260675.db2.gz HKPFOXNITSKFAN-UHFFFAOYSA-N 1 0 404.854 3.699 20 5 HHBDRO CC[C@](C)(O)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000439275557 983342061 /nfs/dbraw/zinc/34/20/61/983342061.db2.gz LLUGIEBZDHEHQJ-FQEVSTJZSA-N 1 0 405.882 3.850 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000440171750 983668666 /nfs/dbraw/zinc/66/86/66/983668666.db2.gz BQBIYLOIKQMAJG-QGZVFWFLSA-N 1 0 423.517 3.889 20 5 HHBDRO COc1cc(NC2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1 ZINC000440543048 983790077 /nfs/dbraw/zinc/79/00/77/983790077.db2.gz JWWWLXWCVAXPEM-UHFFFAOYSA-N 1 0 401.463 3.567 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000440553192 983794465 /nfs/dbraw/zinc/79/44/65/983794465.db2.gz GKXSGEGZMBKRTK-JLHGSKIFSA-N 1 0 401.507 3.901 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000440910970 983967726 /nfs/dbraw/zinc/96/77/26/983967726.db2.gz FOTZJDLDQDXAFX-LSDHHAIUSA-N 1 0 411.458 3.751 20 5 HHBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c([N+](=O)[O-])c1 ZINC000441085493 984061449 /nfs/dbraw/zinc/06/14/49/984061449.db2.gz LXDNLLSGZULZLX-GFCCVEGCSA-N 1 0 414.409 3.549 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441260628 984144296 /nfs/dbraw/zinc/14/42/96/984144296.db2.gz WORVAJWULPXSKI-JKSUJKDBSA-N 1 0 419.909 3.809 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441282360 984157057 /nfs/dbraw/zinc/15/70/57/984157057.db2.gz VDXPYGKJFJIVQT-HZPDHXFCSA-N 1 0 419.909 3.809 20 5 HHBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000441404956 984234916 /nfs/dbraw/zinc/23/49/16/984234916.db2.gz UYUNVNGNNQPAPT-MRXNPFEDSA-N 1 0 402.422 3.716 20 5 HHBDRO Cc1cc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461766483 984770553 /nfs/dbraw/zinc/77/05/53/984770553.db2.gz ISDVYCJPGGPJRY-UHFFFAOYSA-N 1 0 424.423 3.826 20 5 HHBDRO Cc1cc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461962689 984952304 /nfs/dbraw/zinc/95/23/04/984952304.db2.gz GUUYQZUWSODCRF-UHFFFAOYSA-N 1 0 414.472 3.776 20 5 HHBDRO COc1ccc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)cc1 ZINC000462091430 985062692 /nfs/dbraw/zinc/06/26/92/985062692.db2.gz MVXKRMSRHVNXQG-UHFFFAOYSA-N 1 0 407.417 3.917 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462182237 985161950 /nfs/dbraw/zinc/16/19/50/985161950.db2.gz SWWMLNADFINOFC-SUMWQHHRSA-N 1 0 418.291 3.608 20 5 HHBDRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462190086 985171945 /nfs/dbraw/zinc/17/19/45/985171945.db2.gz LESFXNXQBVWZIJ-UHFFFAOYSA-N 1 0 424.350 3.643 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Br)s1 ZINC000443310781 985485603 /nfs/dbraw/zinc/48/56/03/985485603.db2.gz KDTYUZNDYILYLZ-SNVBAGLBSA-N 1 0 410.293 3.659 20 5 HHBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000443329878 985498993 /nfs/dbraw/zinc/49/89/93/985498993.db2.gz MPKPYIBBPKZJMA-PWSUYJOCSA-N 1 0 401.282 3.509 20 5 HHBDRO CNc1c(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cccc1[N+](=O)[O-] ZINC000462776995 985712518 /nfs/dbraw/zinc/71/25/18/985712518.db2.gz SXCDCRZMMGGMNY-UHFFFAOYSA-N 1 0 408.502 3.765 20 5 HHBDRO CNc1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000462781270 985716006 /nfs/dbraw/zinc/71/60/06/985716006.db2.gz XTOIAMAAFNWEJT-AZUAARDMSA-N 1 0 408.502 3.763 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@@H](O)C[C@@H]3c3cc(F)ccc3F)o2)c1 ZINC000443590092 985766228 /nfs/dbraw/zinc/76/62/28/985766228.db2.gz HZNRNDUUVCLARY-QFBILLFUSA-N 1 0 415.396 3.878 20 5 HHBDRO COC(=O)c1ccccc1C(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000462874200 985798427 /nfs/dbraw/zinc/79/84/27/985798427.db2.gz MIJOXVUYHSPKGI-ZBFHGGJFSA-N 1 0 411.458 3.507 20 5 HHBDRO CNc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000462980420 985927351 /nfs/dbraw/zinc/92/73/51/985927351.db2.gz IYWQLYYBIQSNMI-HNNXBMFYSA-N 1 0 422.407 3.660 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000462984605 985933090 /nfs/dbraw/zinc/93/30/90/985933090.db2.gz BUENKAYVGSNHBO-UEXGIBASSA-N 1 0 417.550 3.511 20 5 HHBDRO CC(C)C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccccc1 ZINC000443758572 985971512 /nfs/dbraw/zinc/97/15/12/985971512.db2.gz MOZOPGMDNOJKGR-PXNSSMCTSA-N 1 0 419.547 3.780 20 5 HHBDRO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000463059239 986017375 /nfs/dbraw/zinc/01/73/75/986017375.db2.gz ORMVKJJVOOCLAD-HTAPYJJXSA-N 1 0 405.502 3.605 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443883692 986084328 /nfs/dbraw/zinc/08/43/28/986084328.db2.gz MXCRBHWDSXNRTA-UHFFFAOYSA-N 1 0 413.371 3.957 20 5 HHBDRO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c([N+](=O)[O-])c1 ZINC000463203140 986174905 /nfs/dbraw/zinc/17/49/05/986174905.db2.gz JUXALAOTDSWJSO-ICSUOEFDSA-N 1 0 419.522 3.584 20 5 HHBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000463210823 986182127 /nfs/dbraw/zinc/18/21/27/986182127.db2.gz HCZWIODZVUQABF-UIXUWTQFSA-N 1 0 417.506 3.544 20 5 HHBDRO CC(C)C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[NH+](C)C ZINC000444008236 986203932 /nfs/dbraw/zinc/20/39/32/986203932.db2.gz FMDRFXRYMFZSAQ-OAHLLOKOSA-N 1 0 401.457 3.666 20 5 HHBDRO Cc1cc(N2CCC[C@H]([NH2+]Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)n(C)n1 ZINC000444008623 986204652 /nfs/dbraw/zinc/20/46/52/986204652.db2.gz LOZFIKHQNOBBIN-INIZCTEOSA-N 1 0 412.519 3.519 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H](C)C1 ZINC000444020785 986213505 /nfs/dbraw/zinc/21/35/05/986213505.db2.gz LSCGFBFYUVFWRQ-DYESRHJHSA-N 1 0 421.541 3.548 20 5 HHBDRO C[NH+](C)CCC1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000444040888 986238532 /nfs/dbraw/zinc/23/85/32/986238532.db2.gz UKEGJENOFRJASI-UHFFFAOYSA-N 1 0 413.468 3.763 20 5 HHBDRO C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(C)(C)C[NH+](C)C ZINC000444086711 986287382 /nfs/dbraw/zinc/28/73/82/986287382.db2.gz KEVCFBZSPVKGQY-LBPRGKRZSA-N 1 0 401.457 3.666 20 5 HHBDRO CC[NH+]1CCC(CCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000444090440 986289982 /nfs/dbraw/zinc/28/99/82/986289982.db2.gz XXHOVTCKOOHETB-UHFFFAOYSA-N 1 0 413.468 3.811 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000463366368 986332075 /nfs/dbraw/zinc/33/20/75/986332075.db2.gz IQSCONSSHOBSLY-GOSISDBHSA-N 1 0 410.518 3.579 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000463366370 986332467 /nfs/dbraw/zinc/33/24/67/986332467.db2.gz IQSCONSSHOBSLY-SFHVURJKSA-N 1 0 410.518 3.579 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463379453 986346057 /nfs/dbraw/zinc/34/60/57/986346057.db2.gz SVOOGGUABMBLHN-GOSISDBHSA-N 1 0 410.518 3.722 20 5 HHBDRO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000444171919 986348253 /nfs/dbraw/zinc/34/82/53/986348253.db2.gz QSJYNZDBRSWTIY-INIZCTEOSA-N 1 0 416.909 3.956 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000468647039 986361041 /nfs/dbraw/zinc/36/10/41/986361041.db2.gz ZUFFNIHWXNSZJS-DTQAZKPQSA-N 1 0 403.548 3.722 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000468648548 986362637 /nfs/dbraw/zinc/36/26/37/986362637.db2.gz QLEKMUUMXXWAAW-LGMDPLHJSA-N 1 0 415.515 3.572 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1 ZINC000468653517 986365332 /nfs/dbraw/zinc/36/53/32/986365332.db2.gz WNMCLLIDBZVTPD-BOPFTXTBSA-N 1 0 405.458 3.623 20 5 HHBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444221373 986407245 /nfs/dbraw/zinc/40/72/45/986407245.db2.gz DFBIHLZVURVLOI-AWEZNQCLSA-N 1 0 413.468 3.667 20 5 HHBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1CC[NH+](Cc2cccnc2)CC1 ZINC000444228534 986415558 /nfs/dbraw/zinc/41/55/58/986415558.db2.gz XQAKTPKKPDMVPS-UHFFFAOYSA-N 1 0 420.922 3.516 20 5 HHBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)CC[C@H]21 ZINC000444249239 986443399 /nfs/dbraw/zinc/44/33/99/986443399.db2.gz SOIVLLLEAMHEBK-ORAYPTAESA-N 1 0 411.452 3.516 20 5 HHBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1F ZINC000444300026 986484921 /nfs/dbraw/zinc/48/49/21/986484921.db2.gz XQRZTXMFWVVWOA-UHFFFAOYSA-N 1 0 421.447 3.951 20 5 HHBDRO CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000468980157 986685870 /nfs/dbraw/zinc/68/58/70/986685870.db2.gz PIQAQFACZAHANP-GDBMZVCRSA-N 1 0 403.504 3.772 20 5 HHBDRO COC(=O)C[C@]1([NH2+]Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CCOC1 ZINC000463704226 986689759 /nfs/dbraw/zinc/68/97/59/986689759.db2.gz GWYGXXVXQCLDIW-OAQYLSRUSA-N 1 0 416.499 3.866 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)nc2c1 ZINC000444637835 986824194 /nfs/dbraw/zinc/82/41/94/986824194.db2.gz HEZFKMKMXPWUJT-XMSQKQJNSA-N 1 0 405.502 3.958 20 5 HHBDRO COc1cc(CN2CC[C@H]([NH2+]C/C(C)=C\c3cccc([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000469125515 986844743 /nfs/dbraw/zinc/84/47/43/986844743.db2.gz WSBPOZZSOPGVEX-MESSXYGASA-N 1 0 411.502 3.879 20 5 HHBDRO Cc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1NC(=O)CC[NH+](C)C ZINC000469342971 987049860 /nfs/dbraw/zinc/04/98/60/987049860.db2.gz OMOSYDXFKABMPW-UHFFFAOYSA-N 1 0 409.446 3.527 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3OC)c(C)c2)CC1 ZINC000444934245 987079100 /nfs/dbraw/zinc/07/91/00/987079100.db2.gz VJNHZZZVHAACIZ-UHFFFAOYSA-N 1 0 413.478 3.698 20 5 HHBDRO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000444958842 987094533 /nfs/dbraw/zinc/09/45/33/987094533.db2.gz JOWSDLLJSXDFTH-KSFYIVLOSA-N 1 0 401.510 3.770 20 5 HHBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000445777392 987839981 /nfs/dbraw/zinc/83/99/81/987839981.db2.gz YNXIGPZRNWMCNN-UHFFFAOYSA-N 1 0 401.894 3.962 20 5 HHBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cc1 ZINC000470111030 988013020 /nfs/dbraw/zinc/01/30/20/988013020.db2.gz JQPVXTPKWCPFNB-UHFFFAOYSA-N 1 0 403.504 3.773 20 5 HHBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000470113537 988015242 /nfs/dbraw/zinc/01/52/42/988015242.db2.gz QPEQHJCTUJOOPV-UHFFFAOYSA-N 1 0 404.364 3.661 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2[N+](=O)[O-])CC1 ZINC000463911845 988020856 /nfs/dbraw/zinc/02/08/56/988020856.db2.gz YNSKACZCIAXCQQ-YQQQUEKLSA-N 1 0 400.523 3.576 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](C[N@H+](C)CC4CC4)C3)cc2[N+](=O)[O-])C1 ZINC000470233625 988168339 /nfs/dbraw/zinc/16/83/39/988168339.db2.gz ZJGGXFQEJAQAPL-MJGOQNOKSA-N 1 0 414.550 3.635 20 5 HHBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000470685098 988709372 /nfs/dbraw/zinc/70/93/72/988709372.db2.gz WHBKFGHIZPYEIS-UHFFFAOYSA-N 1 0 401.457 3.763 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000464832849 989073737 /nfs/dbraw/zinc/07/37/37/989073737.db2.gz DFOHWNWRUJJLMJ-MJGOQNOKSA-N 1 0 410.518 3.827 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000471270833 989419391 /nfs/dbraw/zinc/41/93/91/989419391.db2.gz VWGHNMMCAGAKDM-HNNXBMFYSA-N 1 0 407.392 3.866 20 5 HHBDRO COc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000471557916 989758456 /nfs/dbraw/zinc/75/84/56/989758456.db2.gz YLTPINLQCJHJTO-XIKOKIGWSA-N 1 0 423.416 3.626 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000471589680 989793321 /nfs/dbraw/zinc/79/33/21/989793321.db2.gz HEENMCYGUVQEGM-OAHLLOKOSA-N 1 0 411.458 3.548 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)CC(C)C ZINC000465581241 989951892 /nfs/dbraw/zinc/95/18/92/989951892.db2.gz ZRFBJUOZFPFERY-IBGZPJMESA-N 1 0 420.554 3.904 20 5 HHBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000472018431 990187902 /nfs/dbraw/zinc/18/79/02/990187902.db2.gz PUZUDPYELLGNBE-UHFFFAOYSA-N 1 0 410.518 3.504 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000466081732 991257904 /nfs/dbraw/zinc/25/79/04/991257904.db2.gz UHTDTZAUQUPHII-LPHOPBHVSA-N 1 0 402.520 3.581 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000466081733 991258123 /nfs/dbraw/zinc/25/81/23/991258123.db2.gz UHTDTZAUQUPHII-QFBILLFUSA-N 1 0 402.520 3.581 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467215292 992539849 /nfs/dbraw/zinc/53/98/49/992539849.db2.gz GWPVDRSVQZGJRU-AUUYWEPGSA-N 1 0 402.882 3.568 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467448957 992744003 /nfs/dbraw/zinc/74/40/03/992744003.db2.gz HFPGUDOMPDIAAP-FOIQADDNSA-N 1 0 416.909 3.958 20 5 HHBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000472364264 993361839 /nfs/dbraw/zinc/36/18/39/993361839.db2.gz MSXLHAKGSXWVIF-NRFANRHFSA-N 1 0 416.566 3.519 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000480736191 993602590 /nfs/dbraw/zinc/60/25/90/993602590.db2.gz GMSRPZZBKABWDR-UHFFFAOYSA-N 1 0 411.568 3.734 20 5 HHBDRO O=C(Cn1cccn1)Nc1cccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000480876112 993741704 /nfs/dbraw/zinc/74/17/04/993741704.db2.gz GKBNVVCVDXBBNM-OAQYLSRUSA-N 1 0 419.485 3.541 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481190870 994023548 /nfs/dbraw/zinc/02/35/48/994023548.db2.gz PNVGGRCTIHZRIE-QAPCUYQASA-N 1 0 416.909 3.687 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481190869 994023654 /nfs/dbraw/zinc/02/36/54/994023654.db2.gz PNVGGRCTIHZRIE-MAUKXSAKSA-N 1 0 416.909 3.687 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000473269913 994120094 /nfs/dbraw/zinc/12/00/94/994120094.db2.gz DNECDBHBIPHKIP-HZPDHXFCSA-N 1 0 406.486 3.963 20 5 HHBDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000481312290 994129765 /nfs/dbraw/zinc/12/97/65/994129765.db2.gz WZJLXGKTTUNMAR-IRXDYDNUSA-N 1 0 417.531 3.866 20 5 HHBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000481445144 994282088 /nfs/dbraw/zinc/28/20/88/994282088.db2.gz QJOUOFWPKQDKFA-XCLFUZPHSA-N 1 0 403.866 3.503 20 5 HHBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000481492121 994325492 /nfs/dbraw/zinc/32/54/92/994325492.db2.gz GVPPWVNVNWOENA-ORAYPTAESA-N 1 0 419.865 3.912 20 5 HHBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000481540042 994371913 /nfs/dbraw/zinc/37/19/13/994371913.db2.gz ATHLBKSMAFGJRJ-UHFFFAOYSA-N 1 0 423.473 3.753 20 5 HHBDRO C[C@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000473530289 994387612 /nfs/dbraw/zinc/38/76/12/994387612.db2.gz YWVRIZJCHBRFSC-ZOODHJKOSA-N 1 0 417.403 3.759 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@H](CO)[C@@H]3CCOC3)cc2[N+](=O)[O-])cc1 ZINC000481821406 994671969 /nfs/dbraw/zinc/67/19/69/994671969.db2.gz ZLTBHIWMWOIXDV-MSOLQXFVSA-N 1 0 402.516 3.789 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481841202 994695487 /nfs/dbraw/zinc/69/54/87/994695487.db2.gz AYUGUJTYLWPGQQ-GHTZIAJQSA-N 1 0 409.486 3.730 20 5 HHBDRO Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000473780093 994703096 /nfs/dbraw/zinc/70/30/96/994703096.db2.gz HYWLWFDLLKCRKI-NHCUHLMSSA-N 1 0 417.554 3.704 20 5 HHBDRO Cc1cc(NC(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000473781283 994703603 /nfs/dbraw/zinc/70/36/03/994703603.db2.gz DNKGLZKPCIMXIH-IRXDYDNUSA-N 1 0 404.511 3.646 20 5 HHBDRO Cc1cc(NC(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000473781280 994703737 /nfs/dbraw/zinc/70/37/37/994703737.db2.gz DNKGLZKPCIMXIH-IAGOWNOFSA-N 1 0 404.511 3.646 20 5 HHBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000481872219 994735558 /nfs/dbraw/zinc/73/55/58/994735558.db2.gz WDNFPKPTRNEXSP-IEBWSBKVSA-N 1 0 415.515 3.517 20 5 HHBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000481923383 994796392 /nfs/dbraw/zinc/79/63/92/994796392.db2.gz NUVRHFSCVMEMRA-UHFFFAOYSA-N 1 0 416.909 3.755 20 5 HHBDRO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000482009939 994915815 /nfs/dbraw/zinc/91/58/15/994915815.db2.gz QINYXQPWESYYSY-HNNXBMFYSA-N 1 0 422.441 3.723 20 5 HHBDRO COc1cccc([C@@H]2[C@H](NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC[N@@H+]2C2CC2)c1 ZINC000482017342 994926852 /nfs/dbraw/zinc/92/68/52/994926852.db2.gz VKHHMHRVQNVEBA-IFMALSPDSA-N 1 0 420.469 3.793 20 5 HHBDRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000482046596 994969660 /nfs/dbraw/zinc/96/96/60/994969660.db2.gz VKTUAZXCWUAABU-CYBMUJFWSA-N 1 0 406.280 3.828 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)cc1[N+](=O)[O-] ZINC000473983606 994971064 /nfs/dbraw/zinc/97/10/64/994971064.db2.gz MMDBUKFVEKGJLR-NRFANRHFSA-N 1 0 402.422 3.835 20 5 HHBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)c1 ZINC000474017982 995008022 /nfs/dbraw/zinc/00/80/22/995008022.db2.gz CPUGPGLKOUXVKR-UHFFFAOYSA-N 1 0 420.307 3.526 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000474349755 995329414 /nfs/dbraw/zinc/32/94/14/995329414.db2.gz HXXMEFXVHNCWQJ-MRXNPFEDSA-N 1 0 418.421 3.678 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000474358558 995338647 /nfs/dbraw/zinc/33/86/47/995338647.db2.gz SPRIWTRCUNERJC-OAHLLOKOSA-N 1 0 406.435 3.612 20 5 HHBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474936081 995810935 /nfs/dbraw/zinc/81/09/35/995810935.db2.gz VYRMZLVGXZLWJN-TUKIKUTGSA-N 1 0 414.936 3.865 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccc(Br)cn2)cccc1[N+](=O)[O-] ZINC000482977574 995895577 /nfs/dbraw/zinc/89/55/77/995895577.db2.gz FUZISUNGNGTUFJ-LBPRGKRZSA-N 1 0 407.268 3.740 20 5 HHBDRO CO[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000483013843 995919536 /nfs/dbraw/zinc/91/95/36/995919536.db2.gz HNBGWCKHFPSRSV-JLTOFOAXSA-N 1 0 418.519 3.936 20 5 HHBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000475213324 996001258 /nfs/dbraw/zinc/00/12/58/996001258.db2.gz MNUJTNCEFWAOJL-CQSZACIVSA-N 1 0 418.416 3.578 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000475334532 996076112 /nfs/dbraw/zinc/07/61/12/996076112.db2.gz LILJWTTWGDVPSH-JOCHJYFZSA-N 1 0 400.475 3.919 20 5 HHBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000483374461 996135686 /nfs/dbraw/zinc/13/56/86/996135686.db2.gz AKOVLPFCXQUQID-HKUYNNGSSA-N 1 0 423.604 3.995 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475700954 996309366 /nfs/dbraw/zinc/30/93/66/996309366.db2.gz KQAJHIZLNQFYPF-QGZVFWFLSA-N 1 0 416.499 3.761 20 5 HHBDRO Cc1ccc(NCCCNC(=O)NC2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000476014032 996542085 /nfs/dbraw/zinc/54/20/85/996542085.db2.gz VNOCSQBWEQHJHU-UHFFFAOYSA-N 1 0 417.554 3.802 20 5 HHBDRO CSc1cccc(N(C(=O)COc2cccc([N+](=O)[O-])c2)C2CC[NH+](C)CC2)c1 ZINC000484297032 996686595 /nfs/dbraw/zinc/68/65/95/996686595.db2.gz OKVPOJVFIOYMMO-UHFFFAOYSA-N 1 0 415.515 3.823 20 5 HHBDRO CC(C)NC(=O)c1ccc(NCC2([NH+]3CCSCC3)CCCCC2)c([N+](=O)[O-])c1 ZINC000484625074 996958598 /nfs/dbraw/zinc/95/85/98/996958598.db2.gz XWWJYQOYTCCLGF-UHFFFAOYSA-N 1 0 420.579 3.897 20 5 HHBDRO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000484650239 996985948 /nfs/dbraw/zinc/98/59/48/996985948.db2.gz RUSJZMMBVYRHAB-DBXWQHBBSA-N 1 0 400.475 3.623 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000477056980 997701054 /nfs/dbraw/zinc/70/10/54/997701054.db2.gz IHYFAMIBHNXWSS-DEOSSOPVSA-N 1 0 422.529 3.830 20 5 HHBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000477104800 997757819 /nfs/dbraw/zinc/75/78/19/997757819.db2.gz ZYTHKTTVAZKBDV-INIZCTEOSA-N 1 0 409.552 3.568 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000485478797 997928360 /nfs/dbraw/zinc/92/83/60/997928360.db2.gz JIJAENRMXNXHEF-UHFFFAOYSA-N 1 0 405.882 3.899 20 5 HHBDRO O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1C(F)(F)F ZINC000485670752 998126217 /nfs/dbraw/zinc/12/62/17/998126217.db2.gz NQUMOMRTXXVKKD-CYBMUJFWSA-N 1 0 423.395 3.524 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000485709078 998176235 /nfs/dbraw/zinc/17/62/35/998176235.db2.gz JBOBCYMMBLAUJN-OAHLLOKOSA-N 1 0 417.456 3.964 20 5 HHBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000485913273 998364164 /nfs/dbraw/zinc/36/41/64/998364164.db2.gz JGUBMXFWAWMHQE-LAUBAEHRSA-N 1 0 411.502 3.976 20 5 HHBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000485999233 998443250 /nfs/dbraw/zinc/44/32/50/998443250.db2.gz BXLDUZZZZNKPIL-CYBMUJFWSA-N 1 0 409.458 3.505 20 5 HHBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000486063082 998511071 /nfs/dbraw/zinc/51/10/71/998511071.db2.gz HZSKNJFCAPYCJG-QILLFSRXSA-N 1 0 406.504 3.794 20 5 HHBDRO CC1CC[NH+](Cc2cccc(CNC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)c2)CC1 ZINC000486081320 998528174 /nfs/dbraw/zinc/52/81/74/998528174.db2.gz TVBJMJXMMDPGQI-UHFFFAOYSA-N 1 0 417.456 3.964 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC3CC([NH+]4CCCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000477956593 998680838 /nfs/dbraw/zinc/68/08/38/998680838.db2.gz WFIYLFHAOYVFBS-IPJUCJBFSA-N 1 0 400.523 3.578 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000478037554 998728209 /nfs/dbraw/zinc/72/82/09/998728209.db2.gz RSCJLEXURISGTL-QFIPXVFZSA-N 1 0 408.502 3.573 20 5 HHBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486436343 998767029 /nfs/dbraw/zinc/76/70/29/998767029.db2.gz LQSVEVPKXCOPIJ-QGZVFWFLSA-N 1 0 411.502 3.976 20 5 HHBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC1CC[NH+](CC2CCCC2)CC1 ZINC000486451301 998775507 /nfs/dbraw/zinc/77/55/07/998775507.db2.gz WXITYJUOLMCIDI-UHFFFAOYSA-N 1 0 408.930 3.745 20 5 HHBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)cc2)C1 ZINC000486520391 998805151 /nfs/dbraw/zinc/80/51/51/998805151.db2.gz PKFJFVYUWMWCIR-AWEZNQCLSA-N 1 0 419.428 3.775 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2C)[NH+]2CCCC2)c1 ZINC000478450100 998965864 /nfs/dbraw/zinc/96/58/64/998965864.db2.gz AVTVODUGBUXTTO-OAQYLSRUSA-N 1 0 412.490 3.548 20 5 HHBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000487354183 999144938 /nfs/dbraw/zinc/14/49/38/999144938.db2.gz PRXRLLSNPXPKOY-JOCHJYFZSA-N 1 0 408.502 3.933 20 5 HHBDRO CCOc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000487802446 999294936 /nfs/dbraw/zinc/29/49/36/999294936.db2.gz GGBZIXOYCLZHSW-KRWDZBQOSA-N 1 0 419.522 3.730 20 5 HHBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487912981 999313325 /nfs/dbraw/zinc/31/33/25/999313325.db2.gz JPVGAISTVOMMPI-GOSISDBHSA-N 1 0 411.506 3.509 20 5 HHBDRO C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000488041943 999356964 /nfs/dbraw/zinc/35/69/64/999356964.db2.gz AGXRVKHFZLKDSG-INIZCTEOSA-N 1 0 407.474 3.511 20 5 HHBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000479471079 999431522 /nfs/dbraw/zinc/43/15/22/999431522.db2.gz LDIBPCYLQGXFLA-DLBZAZTESA-N 1 0 402.539 3.633 20 5 HHBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000479471349 999431720 /nfs/dbraw/zinc/43/17/20/999431720.db2.gz LDIBPCYLQGXFLA-SJORKVTESA-N 1 0 402.539 3.633 20 5 HHBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000479539611 999467696 /nfs/dbraw/zinc/46/76/96/999467696.db2.gz DQCHBWNJBNVTSQ-FGTMMUONSA-N 1 0 416.566 3.879 20 5 HHBDRO C[NH+]1CCC(n2ccc(NC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)n2)CC1 ZINC000488594372 999539449 /nfs/dbraw/zinc/53/94/49/999539449.db2.gz KTYPWFLNZJVNGE-UHFFFAOYSA-N 1 0 412.372 3.721 20 5 HHBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000479698304 999543258 /nfs/dbraw/zinc/54/32/58/999543258.db2.gz CCMGPTJMDARUGE-QGZVFWFLSA-N 1 0 414.506 3.746 20 5 HHBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000479718788 999553720 /nfs/dbraw/zinc/55/37/20/999553720.db2.gz TWXLZVBPGNNBRE-UHFFFAOYSA-N 1 0 407.474 3.552 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000488689519 999573910 /nfs/dbraw/zinc/57/39/10/999573910.db2.gz LQJPUEKMPOTWGA-OAHLLOKOSA-N 1 0 415.515 3.671 20 5 HHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(OCc4ccccc4F)nc3)CC2)n1 ZINC000488712561 999584580 /nfs/dbraw/zinc/58/45/80/999584580.db2.gz KFLYDLMXNKBSJV-UHFFFAOYSA-N 1 0 411.437 3.742 20 5 HHBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488718554 999586935 /nfs/dbraw/zinc/58/69/35/999586935.db2.gz VGLOXCJDIXDQTK-TUAOUCFPSA-N 1 0 408.371 3.810 20 5 HHBDRO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488783023 999606391 /nfs/dbraw/zinc/60/63/91/999606391.db2.gz MPYJAXRRHYFTQU-DLBZAZTESA-N 1 0 421.501 3.847 20 5 HHBDRO C[NH+](C)C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488896973 999639865 /nfs/dbraw/zinc/63/98/65/999639865.db2.gz KCAABMMKKMHPCR-MRXNPFEDSA-N 1 0 409.845 3.575 20 5 HHBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000480068554 999707847 /nfs/dbraw/zinc/70/78/47/999707847.db2.gz DJRUJGMPQHHWRJ-UHFFFAOYSA-N 1 0 416.566 3.972 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000489135669 999709414 /nfs/dbraw/zinc/70/94/14/999709414.db2.gz HSQWYTFKHDDPJJ-NHCUHLMSSA-N 1 0 423.561 3.893 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000489285607 999737293 /nfs/dbraw/zinc/73/72/93/999737293.db2.gz CSXCVCGOCDHSLO-INIZCTEOSA-N 1 0 421.563 3.574 20 5 HHBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000489312835 999743648 /nfs/dbraw/zinc/74/36/48/999743648.db2.gz LDYCADOIKHKABY-UHFFFAOYSA-N 1 0 419.428 3.933 20 5 HHBDRO CC(C)[C@H]1CN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000489347994 999750026 /nfs/dbraw/zinc/75/00/26/999750026.db2.gz CBPJRKRMRBCJLN-HRAATJIYSA-N 1 0 411.506 3.575 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000489362566 999752146 /nfs/dbraw/zinc/75/21/46/999752146.db2.gz VKNOOYGEIWZMQM-UHFFFAOYSA-N 1 0 423.498 3.582 20 5 HHBDRO Cc1nc(CN(C)[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)no1 ZINC000480234733 999752623 /nfs/dbraw/zinc/75/26/23/999752623.db2.gz XOPWBXWUKTXFQK-GOSISDBHSA-N 1 0 422.489 3.839 20 5 HHBDRO COc1cc(C[NH2+]C[C@@](C)(O)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000480453689 999802736 /nfs/dbraw/zinc/80/27/36/999802736.db2.gz FKDRXKXRUXLOHQ-GOSISDBHSA-N 1 0 420.428 3.965 20 5 HHBDRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000489810949 999842503 /nfs/dbraw/zinc/84/25/03/999842503.db2.gz PMAHKWKPLYUSOK-UHFFFAOYSA-N 1 0 418.881 3.527 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000480671860 999855786 /nfs/dbraw/zinc/85/57/86/999855786.db2.gz SWHWXHLPQRBLIV-HZPDHXFCSA-N 1 0 406.504 3.815 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000489892897 999856896 /nfs/dbraw/zinc/85/68/96/999856896.db2.gz SMHQMDBBVIHSBD-MGPUTAFESA-N 1 0 400.479 3.575 20 5 HHBDRO COc1cc(N[C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000490048391 999884835 /nfs/dbraw/zinc/88/48/35/999884835.db2.gz LUUOILCTCVNVKS-INIZCTEOSA-N 1 0 401.463 3.567 20 5 HHBDRO O=C(NCCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000490141159 999899266 /nfs/dbraw/zinc/89/92/66/999899266.db2.gz AIJHIEJYOWODFA-JOCHJYFZSA-N 1 0 405.454 3.800 20 5 HHBDRO CS(=O)(=O)Nc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000490184616 999906769 /nfs/dbraw/zinc/90/67/69/999906769.db2.gz MJCYNDFQMDYZKH-NRFANRHFSA-N 1 0 411.483 3.846 20 5 HHBDRO C[NH+](C)Cc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1F ZINC000491017719 1000034238 /nfs/dbraw/zinc/03/42/38/1000034238.db2.gz FNRXSLJMONORQK-UHFFFAOYSA-N 1 0 400.454 3.670 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000491322889 1000065107 /nfs/dbraw/zinc/06/51/07/1000065107.db2.gz LQEDYMYZTOVWQW-FXAWDEMLSA-N 1 0 408.502 3.932 20 5 HHBDRO CC1(C)CC(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC(C)(C)[NH2+]1 ZINC000492157356 1000112459 /nfs/dbraw/zinc/11/24/59/1000112459.db2.gz ZXOFOEUPZQKFBP-UHFFFAOYSA-N 1 0 402.417 3.722 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000492356231 1000123347 /nfs/dbraw/zinc/12/33/47/1000123347.db2.gz ZXRVLHXJVGZPLA-SFHVURJKSA-N 1 0 402.539 3.825 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)cc2[N+](=O)[O-])n1 ZINC000493343309 1000169632 /nfs/dbraw/zinc/16/96/32/1000169632.db2.gz FFHHTVNHOXHOEU-CJNGLKHVSA-N 1 0 418.544 3.677 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493622860 1000181711 /nfs/dbraw/zinc/18/17/11/1000181711.db2.gz LUJVUXYLYCWEFA-CXAGYDPISA-N 1 0 402.438 3.931 20 5 HHBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)CC[C@H]21 ZINC000493933428 1000223587 /nfs/dbraw/zinc/22/35/87/1000223587.db2.gz RUZQFUCEFSHVHG-XMSQKQJNSA-N 1 0 408.502 3.763 20 5 HHBDRO C[C@@H]1[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000494046867 1000282387 /nfs/dbraw/zinc/28/23/87/1000282387.db2.gz HFDVBWCWQJPRIM-CXAGYDPISA-N 1 0 418.291 3.750 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000504597322 1000286419 /nfs/dbraw/zinc/28/64/19/1000286419.db2.gz IONSBTMEWGXWCP-MRXNPFEDSA-N 1 0 414.481 3.675 20 5 HHBDRO CC1CC[NH+](CCCNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000494199425 1000358135 /nfs/dbraw/zinc/35/81/35/1000358135.db2.gz VUTRSPJBIVFTLJ-UHFFFAOYSA-N 1 0 402.417 3.535 20 5 HHBDRO C[N@H+](CCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cc1ccccc1 ZINC000494235491 1000378184 /nfs/dbraw/zinc/37/81/84/1000378184.db2.gz WXNDNPHGVTVDQA-UHFFFAOYSA-N 1 0 424.423 3.935 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCn3ccnc3C2)cc1 ZINC000494465841 1000506786 /nfs/dbraw/zinc/50/67/86/1000506786.db2.gz OCPSMWWRCHRHML-IBGZPJMESA-N 1 0 414.469 3.749 20 5 HHBDRO C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000494705244 1000613145 /nfs/dbraw/zinc/61/31/45/1000613145.db2.gz ACUNPOHATCZYQC-QWHCGFSZSA-N 1 0 402.417 3.533 20 5 HHBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494871413 1000706469 /nfs/dbraw/zinc/70/64/69/1000706469.db2.gz BCZUURTXOFEQBD-STQMWFEESA-N 1 0 402.417 3.676 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000495007854 1000775732 /nfs/dbraw/zinc/77/57/32/1000775732.db2.gz PUAPSEFMBYKQDK-YLJYHZDGSA-N 1 0 408.502 3.932 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000495132710 1000872156 /nfs/dbraw/zinc/87/21/56/1000872156.db2.gz ZOOAYVPECICXBL-RXVVDRJESA-N 1 0 409.486 3.730 20 5 HHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N1CCOCC1 ZINC000495368231 1000986312 /nfs/dbraw/zinc/98/63/12/1000986312.db2.gz FQOADCAZKHMUNV-IERDGZPVSA-N 1 0 403.910 3.842 20 5 HHBDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000495434415 1001011719 /nfs/dbraw/zinc/01/17/19/1001011719.db2.gz RQQKZAXMCMEKGJ-ZDUSSCGKSA-N 1 0 421.881 3.815 20 5 HHBDRO COc1cc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])ccc1S(C)(=O)=O ZINC000495439599 1001012807 /nfs/dbraw/zinc/01/28/07/1001012807.db2.gz MLRDEIGUAUBDKL-GFCCVEGCSA-N 1 0 412.895 3.554 20 5 HHBDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000506011151 1001161303 /nfs/dbraw/zinc/16/13/03/1001161303.db2.gz YTRRFYYWZLJFOF-CQSZACIVSA-N 1 0 415.471 3.695 20 5 HHBDRO CC[NH+](CC)CCN(Cc1cccs1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000506045707 1001188119 /nfs/dbraw/zinc/18/81/19/1001188119.db2.gz JSSAFVYIZXJSFA-UHFFFAOYSA-N 1 0 405.520 3.867 20 5 HHBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])CC1 ZINC000496615873 1001205692 /nfs/dbraw/zinc/20/56/92/1001205692.db2.gz RVIIQIVIVKKKET-UHFFFAOYSA-N 1 0 407.511 3.586 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(COc2ccccc2)CC1 ZINC000496867375 1001240503 /nfs/dbraw/zinc/24/05/03/1001240503.db2.gz JPUIHTPTECLPOO-UHFFFAOYSA-N 1 0 413.474 3.723 20 5 HHBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2Br)(N2CCCCC2)CC1 ZINC000497262252 1001285042 /nfs/dbraw/zinc/28/50/42/1001285042.db2.gz OUTQACHPXYEKBZ-UHFFFAOYSA-N 1 0 411.344 3.720 20 5 HHBDRO Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000497362328 1001311154 /nfs/dbraw/zinc/31/11/54/1001311154.db2.gz HBVUEPNBIIYIGF-UHFFFAOYSA-N 1 0 417.531 3.758 20 5 HHBDRO CC[NH+]1CCN(c2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)CC1 ZINC000497576796 1001443207 /nfs/dbraw/zinc/44/32/07/1001443207.db2.gz RVERMRWCRCNTDH-UHFFFAOYSA-N 1 0 408.502 3.542 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000497629715 1001464673 /nfs/dbraw/zinc/46/46/73/1001464673.db2.gz XNEZPPSTRCNNQA-OAHLLOKOSA-N 1 0 415.515 3.671 20 5 HHBDRO Cc1ccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000497660641 1001476119 /nfs/dbraw/zinc/47/61/19/1001476119.db2.gz PIHJNTRQTGBJTO-UHFFFAOYSA-N 1 0 424.501 3.534 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000497734226 1001499052 /nfs/dbraw/zinc/49/90/52/1001499052.db2.gz NPCTZDUOVPYWOC-MRXNPFEDSA-N 1 0 414.481 3.675 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@@H](C)O1 ZINC000506838679 1001558982 /nfs/dbraw/zinc/55/89/82/1001558982.db2.gz QBGUAOLBCSMNNU-HZPDHXFCSA-N 1 0 424.501 3.701 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000497981851 1001589682 /nfs/dbraw/zinc/58/96/82/1001589682.db2.gz FGRZVEINWOKWFZ-CRAIPNDOSA-N 1 0 421.494 3.580 20 5 HHBDRO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000498278412 1001750816 /nfs/dbraw/zinc/75/08/16/1001750816.db2.gz IUDJRUHWAIZGMZ-UHFFFAOYSA-N 1 0 404.470 3.880 20 5 HHBDRO CN1CCO[C@H]([C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000498352933 1001790812 /nfs/dbraw/zinc/79/08/12/1001790812.db2.gz JLYKACSNTWUCMK-KFYQVMNLSA-N 1 0 401.894 3.923 20 5 HHBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000498508778 1001931807 /nfs/dbraw/zinc/93/18/07/1001931807.db2.gz VPGQDFZEAPUPQQ-UHFFFAOYSA-N 1 0 413.522 3.579 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC(C[NH+]4CCCC4)CC3)cc2[N+](=O)[O-])C1 ZINC000498521580 1001943593 /nfs/dbraw/zinc/94/35/93/1001943593.db2.gz GGBKSSVCVSQIOX-GOSISDBHSA-N 1 0 414.550 3.779 20 5 HHBDRO COc1cc(CN(C)C[C@H]2OCCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000507271687 1001954707 /nfs/dbraw/zinc/95/47/07/1001954707.db2.gz CLSSDELTTCLULY-LJQANCHMSA-N 1 0 408.401 3.951 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000507318275 1001998269 /nfs/dbraw/zinc/99/82/69/1001998269.db2.gz YVHWGXDWVPZPAX-GOSISDBHSA-N 1 0 421.563 3.814 20 5 HHBDRO Cc1ccc(S(=O)(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000507448859 1002077417 /nfs/dbraw/zinc/07/74/17/1002077417.db2.gz LPZNDWULVCSQSM-KRWDZBQOSA-N 1 0 417.531 3.614 20 5 HHBDRO Cc1ccc(S(=O)(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000507448860 1002077852 /nfs/dbraw/zinc/07/78/52/1002077852.db2.gz LPZNDWULVCSQSM-QGZVFWFLSA-N 1 0 417.531 3.614 20 5 HHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000507612765 1002218921 /nfs/dbraw/zinc/21/89/21/1002218921.db2.gz ILCHREQUGDMVRY-RXVVDRJESA-N 1 0 422.529 3.763 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507821150 1002366769 /nfs/dbraw/zinc/36/67/69/1002366769.db2.gz AGRUPSNBXPKYDP-UHFFFAOYSA-N 1 0 421.563 3.671 20 5 HHBDRO CC(C)C[N@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000508053401 1002575214 /nfs/dbraw/zinc/57/52/14/1002575214.db2.gz OVNMFZXMSHLHQY-UHFFFAOYSA-N 1 0 410.268 3.561 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000499358283 1002756662 /nfs/dbraw/zinc/75/66/62/1002756662.db2.gz QIHPXDGWPMNBFH-UHFFFAOYSA-N 1 0 401.410 3.879 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[NH+]2CCCC2)cc1 ZINC000499398364 1002786269 /nfs/dbraw/zinc/78/62/69/1002786269.db2.gz AOAVFOJVAKUJOB-QFIPXVFZSA-N 1 0 406.486 3.811 20 5 HHBDRO CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499512461 1002901154 /nfs/dbraw/zinc/90/11/54/1002901154.db2.gz PYBXWKOODNQRHT-UHFFFAOYSA-N 1 0 406.486 3.673 20 5 HHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000508574444 1003038278 /nfs/dbraw/zinc/03/82/78/1003038278.db2.gz YZYHAIZZFOJBMA-FQEVSTJZSA-N 1 0 421.419 3.708 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000499731305 1003077507 /nfs/dbraw/zinc/07/75/07/1003077507.db2.gz KPPJHZHZVYCIGF-MOJGAOKDSA-N 1 0 424.545 3.935 20 5 HHBDRO COCC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)(C)C ZINC000508996778 1003467777 /nfs/dbraw/zinc/46/77/77/1003467777.db2.gz PDTQAMXGPKXTBM-ABAIWWIYSA-N 1 0 405.417 3.981 20 5 HHBDRO C[NH+](C)CCCC1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000500161061 1003515269 /nfs/dbraw/zinc/51/52/69/1003515269.db2.gz FTCVTHPSRQFUDF-UHFFFAOYSA-N 1 0 417.428 3.730 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500175135 1003526063 /nfs/dbraw/zinc/52/60/63/1003526063.db2.gz ZDTZDYCLWYCTTF-QGZVFWFLSA-N 1 0 408.857 3.949 20 5 HHBDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000509067322 1003529299 /nfs/dbraw/zinc/52/92/99/1003529299.db2.gz JPBFQINLZRYLBV-LJQANCHMSA-N 1 0 400.479 3.734 20 5 HHBDRO CCC[NH+]1CCC(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000500209977 1003552543 /nfs/dbraw/zinc/55/25/43/1003552543.db2.gz GYLIDGCJDUQDGM-UHFFFAOYSA-N 1 0 416.444 3.654 20 5 HHBDRO COCCn1cc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cn1 ZINC000500377689 1003675025 /nfs/dbraw/zinc/67/50/25/1003675025.db2.gz PJNNGJLPZORKTR-UHFFFAOYSA-N 1 0 400.410 3.659 20 5 HHBDRO C[C@@H]([NH2+]C1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)CCOCC1)c1ccccc1 ZINC000500443610 1003722057 /nfs/dbraw/zinc/72/20/57/1003722057.db2.gz QCWSVHOLGSIDEM-MRXNPFEDSA-N 1 0 422.485 3.706 20 5 HHBDRO C[C@H]([NH2+]C1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000500474654 1003736733 /nfs/dbraw/zinc/73/67/33/1003736733.db2.gz SYIWTOCTADTDNV-HNNXBMFYSA-N 1 0 417.893 3.878 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000511831933 1003806265 /nfs/dbraw/zinc/80/62/65/1003806265.db2.gz LKQCVXGPBVBWPS-OAHLLOKOSA-N 1 0 423.391 3.627 20 5 HHBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000500618957 1003835052 /nfs/dbraw/zinc/83/50/52/1003835052.db2.gz RRSFCWKOHDGFOP-KFWWJZLASA-N 1 0 402.520 3.815 20 5 HHBDRO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000509426033 1003852483 /nfs/dbraw/zinc/85/24/83/1003852483.db2.gz PBUKLRKFVISBGB-GOSISDBHSA-N 1 0 421.453 3.624 20 5 HHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000509450638 1003872188 /nfs/dbraw/zinc/87/21/88/1003872188.db2.gz GEIOCWOQCPEAKB-OAQYLSRUSA-N 1 0 411.502 3.852 20 5 HHBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000511915833 1003890162 /nfs/dbraw/zinc/89/01/62/1003890162.db2.gz XETBRFVMDHVYNB-JOCHJYFZSA-N 1 0 410.518 3.689 20 5 HHBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000509558476 1003944669 /nfs/dbraw/zinc/94/46/69/1003944669.db2.gz QXEVBFIJUCZERT-CRAIPNDOSA-N 1 0 400.479 3.991 20 5 HHBDRO Cc1c(Br)cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000509580290 1003958877 /nfs/dbraw/zinc/95/88/77/1003958877.db2.gz WDCXFDBFEFNZOU-AWEZNQCLSA-N 1 0 412.309 3.760 20 5 HHBDRO CCOc1cc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000500847834 1004000066 /nfs/dbraw/zinc/00/00/66/1004000066.db2.gz TUUDPZACNUHJLR-WBVHZDCISA-N 1 0 413.474 3.567 20 5 HHBDRO O=C(CSc1cccc([N+](=O)[O-])c1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000509652230 1004006143 /nfs/dbraw/zinc/00/61/43/1004006143.db2.gz KCCPYUQRMNBUNU-UHFFFAOYSA-N 1 0 403.529 3.874 20 5 HHBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000512103640 1004025592 /nfs/dbraw/zinc/02/55/92/1004025592.db2.gz DRHLQYPXKBDCKL-UHFFFAOYSA-N 1 0 416.547 3.752 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000512157379 1004065003 /nfs/dbraw/zinc/06/50/03/1004065003.db2.gz XPOJPIDQQDXQHG-IBGZPJMESA-N 1 0 400.479 3.517 20 5 HHBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000501136015 1004227273 /nfs/dbraw/zinc/22/72/73/1004227273.db2.gz AXRKZNJWTUHGDV-FQEVSTJZSA-N 1 0 402.542 3.630 20 5 HHBDRO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000509963729 1004234570 /nfs/dbraw/zinc/23/45/70/1004234570.db2.gz LRBCVHSBKJWKPQ-KRWDZBQOSA-N 1 0 419.428 3.520 20 5 HHBDRO C[C@@H]1C[C@@H](CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[N@@H+]1Cc1ccccc1 ZINC000512424613 1004290298 /nfs/dbraw/zinc/29/02/98/1004290298.db2.gz RUUSCZRNVZRNJS-UYAOXDASSA-N 1 0 422.529 3.963 20 5 HHBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512522495 1004358984 /nfs/dbraw/zinc/35/89/84/1004358984.db2.gz VFBUTXAWCSWYMU-WMZOPIPTSA-N 1 0 413.522 3.512 20 5 HHBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000510222011 1004405513 /nfs/dbraw/zinc/40/55/13/1004405513.db2.gz JPVDSCPWTAQLGH-UHFFFAOYSA-N 1 0 416.909 3.783 20 5 HHBDRO CCOc1cc(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000510412011 1004547540 /nfs/dbraw/zinc/54/75/40/1004547540.db2.gz JMHROAXPZXBJHK-CABCVRRESA-N 1 0 408.499 3.634 20 5 HHBDRO CCOC(=O)c1cc(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000510509203 1004631072 /nfs/dbraw/zinc/63/10/72/1004631072.db2.gz CUUOQDLDVGFZLC-FOIQADDNSA-N 1 0 413.474 3.501 20 5 HHBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000510524524 1004652719 /nfs/dbraw/zinc/65/27/19/1004652719.db2.gz LLTXFNOATRRBQK-MBSDFSHPSA-N 1 0 424.545 3.927 20 5 HHBDRO C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000501770942 1004709058 /nfs/dbraw/zinc/70/90/58/1004709058.db2.gz REFZHRCVXIWDPX-SJORKVTESA-N 1 0 407.474 3.740 20 5 HHBDRO O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCCC[NH+]1CCCCC1 ZINC000501887540 1004796153 /nfs/dbraw/zinc/79/61/53/1004796153.db2.gz PNVKPKAIXPRBEY-UHFFFAOYSA-N 1 0 418.519 3.684 20 5 HHBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513171353 1004843929 /nfs/dbraw/zinc/84/39/29/1004843929.db2.gz BBBXRSVVLLCGJY-LJQANCHMSA-N 1 0 410.392 3.984 20 5 HHBDRO CCC[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)c1cccc([N+](=O)[O-])c1 ZINC000502020372 1004864941 /nfs/dbraw/zinc/86/49/41/1004864941.db2.gz VUZXCQMIALXYMC-ZRBLBEILSA-N 1 0 422.529 3.625 20 5 HHBDRO C[N@H+](CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCCC1 ZINC000510835794 1004882449 /nfs/dbraw/zinc/88/24/49/1004882449.db2.gz GGIIFUZXWUMTON-UHFFFAOYSA-N 1 0 400.426 3.972 20 5 HHBDRO CC[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000510899340 1004920301 /nfs/dbraw/zinc/92/03/01/1004920301.db2.gz UAWPXHGZAFJWAJ-OAQYLSRUSA-N 1 0 410.518 3.616 20 5 HHBDRO C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510907822 1004925028 /nfs/dbraw/zinc/92/50/28/1004925028.db2.gz BLTIKXUKHRNJKF-OLZOCXBDSA-N 1 0 410.312 3.740 20 5 HHBDRO COc1ccccc1O[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000513364907 1004927193 /nfs/dbraw/zinc/92/71/93/1004927193.db2.gz BSKLCRCKGMYBPL-SFHVURJKSA-N 1 0 413.474 3.784 20 5 HHBDRO C[C@H]1[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000502158879 1004929475 /nfs/dbraw/zinc/92/94/75/1004929475.db2.gz QTYMWHIAJFHYBG-LIRRHRJNSA-N 1 0 402.882 3.710 20 5 HHBDRO CS[C@H]1CN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000502161749 1004930690 /nfs/dbraw/zinc/93/06/90/1004930690.db2.gz AMAWUFHAPLXMSK-PMACEKPBSA-N 1 0 414.531 3.637 20 5 HHBDRO CS[C@H]1CN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000502161750 1004930702 /nfs/dbraw/zinc/93/07/02/1004930702.db2.gz AMAWUFHAPLXMSK-UXHICEINSA-N 1 0 414.531 3.637 20 5 HHBDRO Cn1cc(C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513385595 1004937201 /nfs/dbraw/zinc/93/72/01/1004937201.db2.gz YBYMFOMHRUPLRQ-HXUWFJFHSA-N 1 0 402.458 3.792 20 5 HHBDRO CC(C)[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)CC1 ZINC000510978490 1004963498 /nfs/dbraw/zinc/96/34/98/1004963498.db2.gz QVEPJUXTCDGGKL-UHFFFAOYSA-N 1 0 411.502 3.553 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000511042079 1004993870 /nfs/dbraw/zinc/99/38/70/1004993870.db2.gz ATUGVEWHYRQYNY-PXNSSMCTSA-N 1 0 411.502 3.878 20 5 HHBDRO CS(=O)(=O)c1ccc(F)c(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000502335903 1005018974 /nfs/dbraw/zinc/01/89/74/1005018974.db2.gz UUGYPQFOPXMRRG-KUHUBIRLSA-N 1 0 406.479 3.638 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c([N+](=O)[O-])cc1OC ZINC000502345179 1005024449 /nfs/dbraw/zinc/02/44/49/1005024449.db2.gz KRJHKXJXXFNOGR-OAHLLOKOSA-N 1 0 400.479 3.524 20 5 HHBDRO C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511268233 1005099557 /nfs/dbraw/zinc/09/95/57/1005099557.db2.gz VSJTURGUJHYPLL-CHWSQXEVSA-N 1 0 410.312 3.740 20 5 HHBDRO COc1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000511498540 1005201666 /nfs/dbraw/zinc/20/16/66/1005201666.db2.gz KBKDQTLEHMDGPR-UHFFFAOYSA-N 1 0 403.866 3.651 20 5 HHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000511506468 1005204667 /nfs/dbraw/zinc/20/46/67/1005204667.db2.gz PFNJLHCHRXEZMF-OAQYLSRUSA-N 1 0 410.518 3.737 20 5 HHBDRO NC(=O)c1ccc(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000511588889 1005236218 /nfs/dbraw/zinc/23/62/18/1005236218.db2.gz STRYBRGRIZNUHE-QGZVFWFLSA-N 1 0 409.364 3.833 20 5 HHBDRO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000511623248 1005249066 /nfs/dbraw/zinc/24/90/66/1005249066.db2.gz NGFDSWKIDBEJSZ-UHFFFAOYSA-N 1 0 410.474 3.938 20 5 HHBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)c2)CC1 ZINC000502868634 1005250869 /nfs/dbraw/zinc/25/08/69/1005250869.db2.gz JFMYRCLPGFKKLZ-UHFFFAOYSA-N 1 0 421.501 3.719 20 5 HHBDRO Cn1ccnc1[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000514084563 1005258099 /nfs/dbraw/zinc/25/80/99/1005258099.db2.gz QSYRTPWELXONGF-QHCPKHFHSA-N 1 0 419.529 3.714 20 5 HHBDRO Cn1ccnc1[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000514084561 1005258469 /nfs/dbraw/zinc/25/84/69/1005258469.db2.gz QSYRTPWELXONGF-HSZRJFAPSA-N 1 0 419.529 3.714 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000502908586 1005269857 /nfs/dbraw/zinc/26/98/57/1005269857.db2.gz GGEXKQMZBRYJSY-QUCCMNQESA-N 1 0 414.550 3.922 20 5 HHBDRO CCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502919995 1005274834 /nfs/dbraw/zinc/27/48/34/1005274834.db2.gz QMWPQOQFUKPLML-QGZVFWFLSA-N 1 0 424.501 3.613 20 5 HHBDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000514196887 1005307788 /nfs/dbraw/zinc/30/77/88/1005307788.db2.gz FBFYUFDUUJECRW-UHFFFAOYSA-N 1 0 416.444 3.652 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000503203992 1005368054 /nfs/dbraw/zinc/36/80/54/1005368054.db2.gz JRYVJDJQWUVJNL-UHFFFAOYSA-N 1 0 411.506 3.627 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000503484474 1005434264 /nfs/dbraw/zinc/43/42/64/1005434264.db2.gz FCOSQIBNXDDJPJ-OAQYLSRUSA-N 1 0 411.502 3.746 20 5 HHBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)c2)CC1 ZINC000503766403 1005490874 /nfs/dbraw/zinc/49/08/74/1005490874.db2.gz WIUGRSJASLMULF-UHFFFAOYSA-N 1 0 407.474 3.859 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000503940606 1005515950 /nfs/dbraw/zinc/51/59/50/1005515950.db2.gz AZLAZVFIWJGGHZ-UWJYYQICSA-N 1 0 420.469 3.505 20 5 HHBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)c2)CC1 ZINC000504199491 1005572180 /nfs/dbraw/zinc/57/21/80/1005572180.db2.gz PDLCOZABZJGNJF-UHFFFAOYSA-N 1 0 407.474 3.859 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000534017318 1005987611 /nfs/dbraw/zinc/98/76/11/1005987611.db2.gz GDBAIKDHHWACQI-URKNILKWSA-N 1 0 403.866 3.577 20 5 HHBDRO CN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514640972 1006068648 /nfs/dbraw/zinc/06/86/48/1006068648.db2.gz ZNWBKTXNPKNLCP-HXUWFJFHSA-N 1 0 421.501 3.535 20 5 HHBDRO COc1ccc2c(c1)CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])CC2 ZINC000534102098 1006074018 /nfs/dbraw/zinc/07/40/18/1006074018.db2.gz QWDIKCMPCJMYCT-UHFFFAOYSA-N 1 0 408.401 3.814 20 5 HHBDRO COc1cc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000534229754 1006228421 /nfs/dbraw/zinc/22/84/21/1006228421.db2.gz KCIQMYVLGQAAJQ-LIRRHRJNSA-N 1 0 421.856 3.819 20 5 HHBDRO C[C@@H]([NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000531584574 1006286716 /nfs/dbraw/zinc/28/67/16/1006286716.db2.gz ZDLFHLCHZHYODS-MRXNPFEDSA-N 1 0 419.909 3.810 20 5 HHBDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1O ZINC000515253957 1006364039 /nfs/dbraw/zinc/36/40/39/1006364039.db2.gz BHLXKDWOWKLMKF-MRXNPFEDSA-N 1 0 412.442 3.510 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531835836 1006459592 /nfs/dbraw/zinc/45/95/92/1006459592.db2.gz WWRRYHARCAQAKZ-RUCARUNLSA-N 1 0 400.475 3.823 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCNc3cnccn3)o2)c(Br)c1 ZINC000531863324 1006484050 /nfs/dbraw/zinc/48/40/50/1006484050.db2.gz IWCNNMNTROIGEG-UHFFFAOYSA-N 1 0 418.251 3.609 20 5 HHBDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531898288 1006504848 /nfs/dbraw/zinc/50/48/48/1006504848.db2.gz PLUHEPDXQRQDHC-UHFFFAOYSA-N 1 0 422.407 3.745 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000515526715 1006515875 /nfs/dbraw/zinc/51/58/75/1006515875.db2.gz LMULJAVUUHPVEA-MRXNPFEDSA-N 1 0 417.531 3.614 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCCC[C@@H]3N3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000531916487 1006518566 /nfs/dbraw/zinc/51/85/66/1006518566.db2.gz XTOZYVLEKZSJLM-PMACEKPBSA-N 1 0 415.490 3.596 20 5 HHBDRO COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000515624127 1006563527 /nfs/dbraw/zinc/56/35/27/1006563527.db2.gz CSDBIZMMCAGFOQ-KGLIPLIRSA-N 1 0 414.384 3.972 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](Cc2ccc(Cl)cc2)C2CCCCC2)c1 ZINC000538391394 1006661313 /nfs/dbraw/zinc/66/13/13/1006661313.db2.gz ADJFOAJQVIMZQK-WOJBJXKFSA-N 1 0 406.914 3.587 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](Cc2ccc(Cl)cc2)C2CCCCC2)c1 ZINC000538391393 1006661346 /nfs/dbraw/zinc/66/13/46/1006661346.db2.gz ADJFOAJQVIMZQK-VQTJNVASSA-N 1 0 406.914 3.587 20 5 HHBDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)no1 ZINC000538422133 1006688947 /nfs/dbraw/zinc/68/89/47/1006688947.db2.gz HYFXXQWBSHFNIQ-OAHLLOKOSA-N 1 0 418.457 3.939 20 5 HHBDRO Cc1c([C@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000532214517 1006727514 /nfs/dbraw/zinc/72/75/14/1006727514.db2.gz CWLIPCUZHKPHKV-INIZCTEOSA-N 1 0 405.520 3.582 20 5 HHBDRO CSc1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000515963823 1006793020 /nfs/dbraw/zinc/79/30/20/1006793020.db2.gz HIJVTOIJLMCUIE-UHFFFAOYSA-N 1 0 403.479 3.850 20 5 HHBDRO CC1CC[NH+]([C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c2ccccc2)CC1 ZINC000516139034 1006911560 /nfs/dbraw/zinc/91/15/60/1006911560.db2.gz ITKOCRMBQQAUKR-LJQANCHMSA-N 1 0 400.454 3.519 20 5 HHBDRO COc1cccc([C@H]2[C@@H](Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC[N@@H+]2C2CC2)c1 ZINC000538674870 1006959212 /nfs/dbraw/zinc/95/92/12/1006959212.db2.gz GLJVFSXHUAUBEN-MBSDFSHPSA-N 1 0 422.485 3.878 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000532530911 1006965655 /nfs/dbraw/zinc/96/56/55/1006965655.db2.gz XOHLOXYLGJTNDD-KGLIPLIRSA-N 1 0 423.872 3.545 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000538734557 1007016188 /nfs/dbraw/zinc/01/61/88/1007016188.db2.gz KPXVNBGAIOVHSX-HXUWFJFHSA-N 1 0 410.518 3.517 20 5 HHBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534967713 1007021930 /nfs/dbraw/zinc/02/19/30/1007021930.db2.gz YUSFNNUUBGYHHH-IBGZPJMESA-N 1 0 422.529 3.910 20 5 HHBDRO C[NH+](C)CCOc1cc(CNC(=O)c2cc3ccccc3c3cccnc23)ccn1 ZINC000534968949 1007024087 /nfs/dbraw/zinc/02/40/87/1007024087.db2.gz CKAUSMQTQLJBFN-UHFFFAOYSA-N 1 0 400.482 3.653 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534971748 1007028688 /nfs/dbraw/zinc/02/86/88/1007028688.db2.gz PDBCCOKHQOQOEP-HNAYVOBHSA-N 1 0 420.872 3.880 20 5 HHBDRO CC[N@H+](C)C[C@H]1CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000538752333 1007037598 /nfs/dbraw/zinc/03/75/98/1007037598.db2.gz ZOCJCBRKCQLFNN-HXUWFJFHSA-N 1 0 413.518 3.956 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cc2)C[C@H](C)O1 ZINC000534984277 1007042738 /nfs/dbraw/zinc/04/27/38/1007042738.db2.gz DGQNAUSYSKAGQR-HOTGVXAUSA-N 1 0 422.485 3.615 20 5 HHBDRO Cn1cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538761361 1007045779 /nfs/dbraw/zinc/04/57/79/1007045779.db2.gz YQFNMQCJSBBJJW-OAQYLSRUSA-N 1 0 414.506 3.545 20 5 HHBDRO C[C@@H]1C[C@@H](CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000538764633 1007049585 /nfs/dbraw/zinc/04/95/85/1007049585.db2.gz RAJXZSLKTDHFSJ-GDBMZVCRSA-N 1 0 423.560 3.772 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000532644301 1007063378 /nfs/dbraw/zinc/06/33/78/1007063378.db2.gz WQTYKGWDWRUJMB-UHFFFAOYSA-N 1 0 421.457 3.598 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH+]2CCC(Cn3ccnn3)CC2)cc1[N+](=O)[O-] ZINC000538803740 1007083296 /nfs/dbraw/zinc/08/32/96/1007083296.db2.gz VOBFMCBGURXXFC-UHFFFAOYSA-N 1 0 406.490 3.866 20 5 HHBDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000532717386 1007129755 /nfs/dbraw/zinc/12/97/55/1007129755.db2.gz XHLQVFHZDKOWQX-UHFFFAOYSA-N 1 0 406.280 3.907 20 5 HHBDRO CNC(=O)c1ccc(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000516607038 1007187744 /nfs/dbraw/zinc/18/77/44/1007187744.db2.gz YZAIOCDWQQHQBT-LJQANCHMSA-N 1 0 402.882 3.857 20 5 HHBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535278069 1007329368 /nfs/dbraw/zinc/32/93/68/1007329368.db2.gz PCHIGBOXXRAVIA-GOSISDBHSA-N 1 0 400.504 3.561 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)[NH+]2CCCC2)cc1 ZINC000535291152 1007342498 /nfs/dbraw/zinc/34/24/98/1007342498.db2.gz ZOJTWZPJXYHZET-QFIPXVFZSA-N 1 0 408.502 3.808 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000532976954 1007347641 /nfs/dbraw/zinc/34/76/41/1007347641.db2.gz IACMDKBONOWKPN-HOCLYGCPSA-N 1 0 401.438 3.949 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000539050938 1007347944 /nfs/dbraw/zinc/34/79/44/1007347944.db2.gz UKNHQWGEICJBBM-OLZOCXBDSA-N 1 0 405.442 3.608 20 5 HHBDRO CCC[C@H]([NH2+][C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000539086499 1007375140 /nfs/dbraw/zinc/37/51/40/1007375140.db2.gz JGRFTSKKMZFHLC-LEWJYISDSA-N 1 0 413.474 3.848 20 5 HHBDRO C[C@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000539090810 1007379546 /nfs/dbraw/zinc/37/95/46/1007379546.db2.gz IRRQFZRWLURYNY-MGPUTAFESA-N 1 0 417.531 3.517 20 5 HHBDRO C[C@@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000539090808 1007380034 /nfs/dbraw/zinc/38/00/34/1007380034.db2.gz IRRQFZRWLURYNY-FOIQADDNSA-N 1 0 417.531 3.517 20 5 HHBDRO C[C@H](NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000517047936 1007381179 /nfs/dbraw/zinc/38/11/79/1007381179.db2.gz GURLZZYYYHYYGB-MBSDFSHPSA-N 1 0 408.502 3.963 20 5 HHBDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000517185631 1007491008 /nfs/dbraw/zinc/49/10/08/1007491008.db2.gz SSTSPWUNRZERGV-DLBZAZTESA-N 1 0 424.501 3.643 20 5 HHBDRO CCCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OC ZINC000539253660 1007547038 /nfs/dbraw/zinc/54/70/38/1007547038.db2.gz OEEYUQHODKWEGS-HNNXBMFYSA-N 1 0 401.463 3.990 20 5 HHBDRO COc1cc2c(cc1OC)C[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000533238325 1007558533 /nfs/dbraw/zinc/55/85/33/1007558533.db2.gz QFWALALHCAUZCR-UHFFFAOYSA-N 1 0 409.442 3.868 20 5 HHBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC000539276397 1007570152 /nfs/dbraw/zinc/57/01/52/1007570152.db2.gz LCGGENNOCKQQSQ-OAHLLOKOSA-N 1 0 405.838 3.699 20 5 HHBDRO COc1cccc(C[C@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000533251591 1007571175 /nfs/dbraw/zinc/57/11/75/1007571175.db2.gz BPVGJTJIGFAZRW-QGZVFWFLSA-N 1 0 413.474 3.648 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)[C@@H](C)C1 ZINC000539293278 1007590707 /nfs/dbraw/zinc/59/07/07/1007590707.db2.gz JDSOAGNERKECCK-LPHOPBHVSA-N 1 0 423.579 3.962 20 5 HHBDRO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000533282411 1007595638 /nfs/dbraw/zinc/59/56/38/1007595638.db2.gz RUIGFNMJAVDSRH-HNNXBMFYSA-N 1 0 401.463 3.504 20 5 HHBDRO O=C1[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCN1CC(F)(F)F ZINC000533307450 1007624348 /nfs/dbraw/zinc/62/43/48/1007624348.db2.gz DVSMOTHBCIAVKC-CQSZACIVSA-N 1 0 413.421 3.966 20 5 HHBDRO COc1cccc(NC2CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000533310822 1007626359 /nfs/dbraw/zinc/62/63/59/1007626359.db2.gz VVTVJNPWEIVHGF-UHFFFAOYSA-N 1 0 412.490 3.817 20 5 HHBDRO O=C(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000539328517 1007627760 /nfs/dbraw/zinc/62/77/60/1007627760.db2.gz UIMAFOIFGCNONF-KDOFPFPSSA-N 1 0 403.866 3.944 20 5 HHBDRO COc1ccc(C[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000535628381 1007631037 /nfs/dbraw/zinc/63/10/37/1007631037.db2.gz PGFJSKHFHVBYMN-JKSUJKDBSA-N 1 0 415.490 3.750 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cccc1[N+](=O)[O-] ZINC000533399284 1007709550 /nfs/dbraw/zinc/70/95/50/1007709550.db2.gz YCRINQYZIVCWJX-IBGZPJMESA-N 1 0 411.458 3.840 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cccc1[N+](=O)[O-] ZINC000533407757 1007717408 /nfs/dbraw/zinc/71/74/08/1007717408.db2.gz CKPBQKXLQFREOQ-RTBURBONSA-N 1 0 402.539 3.818 20 5 HHBDRO CCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000533407073 1007717585 /nfs/dbraw/zinc/71/75/85/1007717585.db2.gz FSVIQAOFHFMUOH-UYAOXDASSA-N 1 0 410.518 3.999 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1 ZINC000539421658 1007727807 /nfs/dbraw/zinc/72/78/07/1007727807.db2.gz QDSXFQUISIBSRI-BBRMVZONSA-N 1 0 418.803 3.565 20 5 HHBDRO Cc1c(NC(=O)CCN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000533429690 1007741714 /nfs/dbraw/zinc/74/17/14/1007741714.db2.gz GJHKLOANEMNJCP-SFHVURJKSA-N 1 0 410.518 3.828 20 5 HHBDRO C[C@H](Cn1cccn1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000517540063 1007754903 /nfs/dbraw/zinc/75/49/03/1007754903.db2.gz VTDITGLDQSSUSN-QGZVFWFLSA-N 1 0 402.458 3.822 20 5 HHBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000517540062 1007755338 /nfs/dbraw/zinc/75/53/38/1007755338.db2.gz VTDITGLDQSSUSN-KRWDZBQOSA-N 1 0 402.458 3.822 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000517547978 1007763420 /nfs/dbraw/zinc/76/34/20/1007763420.db2.gz GIFMUWACIBSHSL-RXVVDRJESA-N 1 0 416.909 3.920 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000533518918 1007838909 /nfs/dbraw/zinc/83/89/09/1007838909.db2.gz ZHOMDYGTJZWLIX-UHFFFAOYSA-N 1 0 407.474 3.988 20 5 HHBDRO COc1ccc(C[C@@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000539565236 1007880439 /nfs/dbraw/zinc/88/04/39/1007880439.db2.gz NRCBSYZJSAMQGK-MRXNPFEDSA-N 1 0 424.501 3.981 20 5 HHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000539686991 1008007154 /nfs/dbraw/zinc/00/71/54/1008007154.db2.gz PXGZABWASBTOEG-ZYSHUDEJSA-N 1 0 421.563 3.811 20 5 HHBDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536007663 1008049844 /nfs/dbraw/zinc/04/98/44/1008049844.db2.gz LSHLFDKRONKPON-MRXNPFEDSA-N 1 0 414.531 3.636 20 5 HHBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539829634 1008123693 /nfs/dbraw/zinc/12/36/93/1008123693.db2.gz PXURCISZCVOVLJ-OXJNMPFZSA-N 1 0 400.475 3.918 20 5 HHBDRO C[C@H]1CC[N@H+](C)CCN1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539838821 1008130532 /nfs/dbraw/zinc/13/05/32/1008130532.db2.gz QORHWLRRLAKZNA-SFHVURJKSA-N 1 0 405.502 3.974 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCN([C@H](C)c3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000539882861 1008160365 /nfs/dbraw/zinc/16/03/65/1008160365.db2.gz DSLGFLGUMKJIEM-QGZVFWFLSA-N 1 0 414.481 3.750 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1c1cccs1 ZINC000533939725 1008220243 /nfs/dbraw/zinc/22/02/43/1008220243.db2.gz TXHPJTNAHWMPMF-QKKBWIMNSA-N 1 0 412.515 3.879 20 5 HHBDRO COc1cc(C[NH2+]C[C@H](O)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000518278927 1008236530 /nfs/dbraw/zinc/23/65/30/1008236530.db2.gz LOBORISESIURMS-HNNXBMFYSA-N 1 0 406.401 3.575 20 5 HHBDRO COc1cc(CNCC[N@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000518286528 1008239823 /nfs/dbraw/zinc/23/98/23/1008239823.db2.gz DTBSZSIBPIQOOZ-OKILXGFUSA-N 1 0 419.444 3.897 20 5 HHBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000533970247 1008240897 /nfs/dbraw/zinc/24/08/97/1008240897.db2.gz CPNPOWPYIMXQLC-NRFANRHFSA-N 1 0 424.501 3.517 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000540117552 1008296811 /nfs/dbraw/zinc/29/68/11/1008296811.db2.gz GLFBDQSCDLANSB-QGZVFWFLSA-N 1 0 417.531 3.929 20 5 HHBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000540153135 1008313764 /nfs/dbraw/zinc/31/37/64/1008313764.db2.gz HMMBFINPIOFKNC-LRAJWGHMSA-N 1 0 401.463 3.686 20 5 HHBDRO COc1ccc(Br)c(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000540169734 1008320249 /nfs/dbraw/zinc/32/02/49/1008320249.db2.gz SNIJADHXNVMBSS-GFCCVEGCSA-N 1 0 422.279 3.873 20 5 HHBDRO O=C(CC(F)(F)F)N1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000540177400 1008324146 /nfs/dbraw/zinc/32/41/46/1008324146.db2.gz LVAIVUKAZXMNQF-PBHICJAKSA-N 1 0 413.440 3.839 20 5 HHBDRO O=C(CC(F)(F)F)N1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000540177403 1008324213 /nfs/dbraw/zinc/32/42/13/1008324213.db2.gz LVAIVUKAZXMNQF-YOEHRIQHSA-N 1 0 413.440 3.839 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000540181764 1008325881 /nfs/dbraw/zinc/32/58/81/1008325881.db2.gz YZAGHMUKLRJUBM-ZDUSSCGKSA-N 1 0 417.416 3.889 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000540318603 1008377600 /nfs/dbraw/zinc/37/76/00/1008377600.db2.gz CFTKTCIHRIRFQH-GFCCVEGCSA-N 1 0 409.389 3.884 20 5 HHBDRO Cc1cc(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000518730009 1008406311 /nfs/dbraw/zinc/40/63/11/1008406311.db2.gz LJFCUCQZXXKLMB-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO CCCc1n[nH]c(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c1[N+](=O)[O-] ZINC000518857559 1008448613 /nfs/dbraw/zinc/44/86/13/1008448613.db2.gz ILFHDQDRYGDTTL-OAHLLOKOSA-N 1 0 423.876 3.630 20 5 HHBDRO CCCc1n[nH]c(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000518879139 1008457165 /nfs/dbraw/zinc/45/71/65/1008457165.db2.gz PQLVBPBRGFOFEO-UHFFFAOYSA-N 1 0 413.522 3.965 20 5 HHBDRO COc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000540513763 1008463078 /nfs/dbraw/zinc/46/30/78/1008463078.db2.gz OYBPLAXLUUXWDY-UHFFFAOYSA-N 1 0 418.400 3.895 20 5 HHBDRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3ccc([N+](=O)[O-])cc3C)nc12 ZINC000545556388 1008653111 /nfs/dbraw/zinc/65/31/11/1008653111.db2.gz DHDLBWDBWPRHQE-UHFFFAOYSA-N 1 0 403.280 3.954 20 5 HHBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000549109147 1008673653 /nfs/dbraw/zinc/67/36/53/1008673653.db2.gz OLXLWRRSHPEYGB-LJQANCHMSA-N 1 0 404.898 3.735 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000549130231 1008702230 /nfs/dbraw/zinc/70/22/30/1008702230.db2.gz GYEFYAQFWNAAHQ-RTBURBONSA-N 1 0 424.545 3.935 20 5 HHBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543264739 1008837661 /nfs/dbraw/zinc/83/76/61/1008837661.db2.gz GJPRMJQKVULUAW-INIZCTEOSA-N 1 0 405.907 3.731 20 5 HHBDRO CCc1ccc([C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543399932 1008991683 /nfs/dbraw/zinc/99/16/83/1008991683.db2.gz PXDRLCPWMDTQCH-UZUQRXQVSA-N 1 0 413.518 3.930 20 5 HHBDRO COc1cc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543410501 1009004616 /nfs/dbraw/zinc/00/46/16/1009004616.db2.gz SYNWYCFZJXCVLN-STQMWFEESA-N 1 0 406.401 3.839 20 5 HHBDRO COc1cc(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000543553723 1009157927 /nfs/dbraw/zinc/15/79/27/1009157927.db2.gz VEXVPBFZENYMID-DOMZBBRYSA-N 1 0 408.401 3.902 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000549556369 1009174249 /nfs/dbraw/zinc/17/42/49/1009174249.db2.gz ZUEZDTPSUWWCKH-JOCHJYFZSA-N 1 0 410.518 3.924 20 5 HHBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000520074006 1009235348 /nfs/dbraw/zinc/23/53/48/1009235348.db2.gz BHWFTTHAFHPWOM-UHFFFAOYSA-N 1 0 423.473 3.753 20 5 HHBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000543637787 1009242034 /nfs/dbraw/zinc/24/20/34/1009242034.db2.gz WHPKDYMMLSFPBW-UHFFFAOYSA-N 1 0 404.442 3.776 20 5 HHBDRO COc1cc(C[NH2+]C[C@H](C)c2nccs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543643654 1009248071 /nfs/dbraw/zinc/24/80/71/1009248071.db2.gz LZNUHYFAPDQFAZ-JTQLQIEISA-N 1 0 405.398 3.894 20 5 HHBDRO CNc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000520106292 1009262473 /nfs/dbraw/zinc/26/24/73/1009262473.db2.gz SNXQVBZKXVEZFK-UHFFFAOYSA-N 1 0 424.423 3.859 20 5 HHBDRO C[NH+](C)CCOc1ccc(-c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)cc1 ZINC000546286846 1009308760 /nfs/dbraw/zinc/30/87/60/1009308760.db2.gz GABRUOPWMWYRIP-UHFFFAOYSA-N 1 0 407.430 3.588 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000543748579 1009328051 /nfs/dbraw/zinc/32/80/51/1009328051.db2.gz YKLACSBNVGQKGB-SJLPKXTDSA-N 1 0 400.475 3.775 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000543748573 1009328086 /nfs/dbraw/zinc/32/80/86/1009328086.db2.gz YKLACSBNVGQKGB-AEFFLSMTSA-N 1 0 400.475 3.775 20 5 HHBDRO COc1cccc(N2C[C@H]([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2=O)c1 ZINC000520216006 1009346291 /nfs/dbraw/zinc/34/62/91/1009346291.db2.gz NILRRELUXWOKHQ-OAHLLOKOSA-N 1 0 407.426 3.759 20 5 HHBDRO O=C(CC(F)(F)F)N1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000520215312 1009346648 /nfs/dbraw/zinc/34/66/48/1009346648.db2.gz ZHUJMYFYIWXGQV-UHFFFAOYSA-N 1 0 411.380 3.888 20 5 HHBDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)[C@H]2C ZINC000543806369 1009369255 /nfs/dbraw/zinc/36/92/55/1009369255.db2.gz BCDYOPUVSPSPPS-GJZGRUSLSA-N 1 0 411.458 3.909 20 5 HHBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc2ccccc2c2cccnc12 ZINC000543835368 1009397399 /nfs/dbraw/zinc/39/73/99/1009397399.db2.gz UTZLGXTWJZBHIK-OAQYLSRUSA-N 1 0 411.505 3.885 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000543890983 1009469056 /nfs/dbraw/zinc/46/90/56/1009469056.db2.gz KVWHXYAWJMXDOJ-UHFFFAOYSA-N 1 0 413.478 3.698 20 5 HHBDRO CCOc1cc(C[NH2+][C@H]2CCC[C@H]2F)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000549938065 1009548914 /nfs/dbraw/zinc/54/89/14/1009548914.db2.gz SEIKKHVABVOIBT-SJORKVTESA-N 1 0 406.458 3.558 20 5 HHBDRO C[NH+](C)CCOc1cccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000544086162 1009693843 /nfs/dbraw/zinc/69/38/43/1009693843.db2.gz XGJSSSXTWRRBPJ-UHFFFAOYSA-N 1 0 409.895 3.919 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000544086940 1009695568 /nfs/dbraw/zinc/69/55/68/1009695568.db2.gz PBFOSIPUXIVWSL-IRXDYDNUSA-N 1 0 413.543 3.960 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2ccccc2)c2cc(Cl)ccc2Cl)c1 ZINC000544110440 1009720643 /nfs/dbraw/zinc/72/06/43/1009720643.db2.gz MEXHBMIRHHTGHW-QFBILLFUSA-N 1 0 421.284 3.838 20 5 HHBDRO COc1cc(C[NH2+]CCc2nccnc2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000550275658 1009826233 /nfs/dbraw/zinc/82/62/33/1009826233.db2.gz JXOBWKNBTUELCS-UHFFFAOYSA-N 1 0 408.458 3.613 20 5 HHBDRO COc1cc(C(=O)NCC[N@H+](C)C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000520758355 1009828636 /nfs/dbraw/zinc/82/86/36/1009828636.db2.gz ZTGLCNSSMDTEQO-UHFFFAOYSA-N 1 0 419.865 3.873 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2cn(CCOC)nc21 ZINC000546934684 1009893922 /nfs/dbraw/zinc/89/39/22/1009893922.db2.gz FELUNFOFLUQEDI-DLBZAZTESA-N 1 0 404.536 3.976 20 5 HHBDRO COc1cc(-c2nc(-c3ccccc3C[NH+]3CCCC3)no2)cc([N+](=O)[O-])c1OC ZINC000546943964 1009901952 /nfs/dbraw/zinc/90/19/52/1009901952.db2.gz RVAMMPONHCWKSN-UHFFFAOYSA-N 1 0 410.430 3.925 20 5 HHBDRO COc1cccc(N2C[C@@H]([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2=O)c1 ZINC000520961458 1010008611 /nfs/dbraw/zinc/00/86/11/1010008611.db2.gz SGIQALUNAHZCCF-INIZCTEOSA-N 1 0 407.426 3.759 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000550707624 1010116803 /nfs/dbraw/zinc/11/68/03/1010116803.db2.gz UJFHYHYZRWEOFP-UHFFFAOYSA-N 1 0 420.897 3.530 20 5 HHBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCCC[NH+]1CCCCC1 ZINC000521113028 1010134169 /nfs/dbraw/zinc/13/41/69/1010134169.db2.gz VVZGWXSVYKVXEN-UHFFFAOYSA-N 1 0 405.542 3.927 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000544528004 1010157133 /nfs/dbraw/zinc/15/71/33/1010157133.db2.gz CGUQLPCJYPCXBS-PXNSSMCTSA-N 1 0 401.438 3.833 20 5 HHBDRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000521153150 1010180256 /nfs/dbraw/zinc/18/02/56/1010180256.db2.gz QIXFWJYOXBNUDM-AWEZNQCLSA-N 1 0 401.463 3.506 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000544629987 1010252840 /nfs/dbraw/zinc/25/28/40/1010252840.db2.gz CJYGVTCWLUDQQW-SFHVURJKSA-N 1 0 405.401 3.790 20 5 HHBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000521373749 1010340021 /nfs/dbraw/zinc/34/00/21/1010340021.db2.gz JPZIDFLTJPUINI-MRXNPFEDSA-N 1 0 423.579 3.853 20 5 HHBDRO CS[C@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1[NH+](C)C ZINC000544790410 1010385392 /nfs/dbraw/zinc/38/53/92/1010385392.db2.gz IZBSFWFODZNNAX-OALUTQOASA-N 1 0 416.503 3.896 20 5 HHBDRO CCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544850428 1010435580 /nfs/dbraw/zinc/43/55/80/1010435580.db2.gz AYNAPEJHBJUHQP-OAQYLSRUSA-N 1 0 419.485 3.517 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000521573495 1010473254 /nfs/dbraw/zinc/47/32/54/1010473254.db2.gz WMSVSLKJRVRGEZ-OAHLLOKOSA-N 1 0 405.495 3.805 20 5 HHBDRO COC(=O)c1cc(-c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)cc([N+](=O)[O-])c1 ZINC000544917933 1010490795 /nfs/dbraw/zinc/49/07/95/1010490795.db2.gz SARAMPZRBLVYST-UHFFFAOYSA-N 1 0 408.414 3.694 20 5 HHBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000521690095 1010553687 /nfs/dbraw/zinc/55/36/87/1010553687.db2.gz PPQWQGLQFWQVME-FQEVSTJZSA-N 1 0 408.502 3.907 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000521829825 1010644465 /nfs/dbraw/zinc/64/44/65/1010644465.db2.gz WYISJFOFVRQDFU-HXUWFJFHSA-N 1 0 419.909 3.810 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@H]4CCC[N@H+](Cc5cccnc5)C4)n3)c2c1 ZINC000545143502 1010644810 /nfs/dbraw/zinc/64/48/10/1010644810.db2.gz XYFXDXMFAGKMMU-INIZCTEOSA-N 1 0 418.457 3.825 20 5 HHBDRO COc1ccc(Cn2nc(C)c(C[NH2+]CCOc3ccc([N+](=O)[O-])cc3)c2C)cc1 ZINC000545212912 1010686361 /nfs/dbraw/zinc/68/63/61/1010686361.db2.gz CQOSWLZOIXSKTC-UHFFFAOYSA-N 1 0 410.474 3.634 20 5 HHBDRO Cc1ccc(C(C)(C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000545397969 1010772679 /nfs/dbraw/zinc/77/26/79/1010772679.db2.gz QWCDKJMFDRMZHW-UHFFFAOYSA-N 1 0 407.268 3.524 20 5 HHBDRO CCC(CC)(CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccccc1 ZINC000522055918 1010783689 /nfs/dbraw/zinc/78/36/89/1010783689.db2.gz OYYCCWPFDIEFDK-QGZVFWFLSA-N 1 0 419.547 3.924 20 5 HHBDRO COc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000522153205 1010836874 /nfs/dbraw/zinc/83/68/74/1010836874.db2.gz CSUORMMWQNECKS-UHFFFAOYSA-N 1 0 411.502 3.838 20 5 HHBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000522237891 1010881779 /nfs/dbraw/zinc/88/17/79/1010881779.db2.gz CLFVLMJSSMHTQG-UHFFFAOYSA-N 1 0 416.909 3.960 20 5 HHBDRO CC(C)N1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000540617714 1011270455 /nfs/dbraw/zinc/27/04/55/1011270455.db2.gz BPQVLBFBCJXAOW-LJQANCHMSA-N 1 0 419.485 3.546 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000540625722 1011276399 /nfs/dbraw/zinc/27/63/99/1011276399.db2.gz KDILFUQWUODXII-KKSFZXQISA-N 1 0 417.531 3.933 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536172497 1011304894 /nfs/dbraw/zinc/30/48/94/1011304894.db2.gz GFHQLWCARNVXSU-KKSFZXQISA-N 1 0 406.486 3.645 20 5 HHBDRO CC(C)N(CC(=O)Nc1ccc(N2CCCCC2)nc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000540822411 1011485017 /nfs/dbraw/zinc/48/50/17/1011485017.db2.gz HZVMDKVNRVDATE-UHFFFAOYSA-N 1 0 411.506 3.829 20 5 HHBDRO C[C@@H]1C[N@@H+](CC2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)C[C@H](C)O1 ZINC000536366856 1011574623 /nfs/dbraw/zinc/57/46/23/1011574623.db2.gz BBRDMLRSDJRALX-CALCHBBNSA-N 1 0 414.506 3.571 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)nc1-c1ccccc1 ZINC000536389445 1011597563 /nfs/dbraw/zinc/59/75/63/1011597563.db2.gz ABGDGOCTQOXWHL-RTWAWAEBSA-N 1 0 418.497 3.952 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000541115905 1011766909 /nfs/dbraw/zinc/76/69/09/1011766909.db2.gz SRZJFYSGDMYFRT-UHFFFAOYSA-N 1 0 409.486 3.874 20 5 HHBDRO COc1cc(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000536664677 1011814776 /nfs/dbraw/zinc/81/47/76/1011814776.db2.gz VUSZYGPUKAWXBD-IBGZPJMESA-N 1 0 400.475 3.874 20 5 HHBDRO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000541329519 1012039413 /nfs/dbraw/zinc/03/94/13/1012039413.db2.gz BIVRUTPBRFBYSU-ISKFKSNPSA-N 1 0 419.481 3.996 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000536837387 1012066720 /nfs/dbraw/zinc/06/67/20/1012066720.db2.gz FBDWFXVZUBAWMP-YOEHRIQHSA-N 1 0 401.438 3.979 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)cc1[N+](=O)[O-] ZINC000536848787 1012078875 /nfs/dbraw/zinc/07/88/75/1012078875.db2.gz ZXCZDIFQOMWHEX-ZFWWWQNUSA-N 1 0 409.280 3.756 20 5 HHBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1Cl ZINC000536859804 1012094259 /nfs/dbraw/zinc/09/42/59/1012094259.db2.gz WPJAZZJOOAOOKV-LLVKDONJSA-N 1 0 418.302 3.531 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000536872531 1012112680 /nfs/dbraw/zinc/11/26/80/1012112680.db2.gz UOUGVHFSIAMTNT-CYBMUJFWSA-N 1 0 409.458 3.763 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000552138041 1012157346 /nfs/dbraw/zinc/15/73/46/1012157346.db2.gz ZZUTUTMUUHXDIE-SFHVURJKSA-N 1 0 420.428 3.775 20 5 HHBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000552269829 1012281354 /nfs/dbraw/zinc/28/13/54/1012281354.db2.gz UDPJNXDTXLQVLD-HLRQEUIKSA-N 1 0 409.486 3.641 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000537053779 1012381420 /nfs/dbraw/zinc/38/14/20/1012381420.db2.gz CZUDQTHESUYLHP-GFCCVEGCSA-N 1 0 416.865 3.886 20 5 HHBDRO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000537074813 1012417197 /nfs/dbraw/zinc/41/71/97/1012417197.db2.gz WORQILURGVQXJU-GJZGRUSLSA-N 1 0 401.463 3.530 20 5 HHBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000537103382 1012469104 /nfs/dbraw/zinc/46/91/04/1012469104.db2.gz WEWXKCVGMOKFEV-MRXNPFEDSA-N 1 0 411.433 3.825 20 5 HHBDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1)C[C@H]1CCCCO1 ZINC000537118407 1012497317 /nfs/dbraw/zinc/49/73/17/1012497317.db2.gz KOEQZAVOQBTSHX-LJQANCHMSA-N 1 0 414.506 3.965 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCNc3ccc4ccccc4n3)cs2)c1 ZINC000552560232 1012571871 /nfs/dbraw/zinc/57/18/71/1012571871.db2.gz OLLYBVZHFZVSLS-UHFFFAOYSA-N 1 0 405.483 4.468 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000537175840 1012583366 /nfs/dbraw/zinc/58/33/66/1012583366.db2.gz CWCBUPHIKZFZGC-MRXNPFEDSA-N 1 0 412.490 3.883 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)CCCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000537178875 1012586884 /nfs/dbraw/zinc/58/68/84/1012586884.db2.gz FNVHYUOLXUZIRP-MRXNPFEDSA-N 1 0 403.454 3.620 20 5 HHBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000523890412 1012594629 /nfs/dbraw/zinc/59/46/29/1012594629.db2.gz UJCXNWMAONQCCY-IBGZPJMESA-N 1 0 417.893 3.970 20 5 HHBDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000541742922 1012599720 /nfs/dbraw/zinc/59/97/20/1012599720.db2.gz VPVOGHNAQIOHNU-NHCUHLMSSA-N 1 0 402.516 3.820 20 5 HHBDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000541770474 1012636163 /nfs/dbraw/zinc/63/61/63/1012636163.db2.gz FJVRRTSIHPWIAZ-INIZCTEOSA-N 1 0 401.429 3.916 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000541780293 1012649100 /nfs/dbraw/zinc/64/91/00/1012649100.db2.gz HKCGNIFNFDAGPI-GOSISDBHSA-N 1 0 402.426 3.701 20 5 HHBDRO COc1cc(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000541784776 1012655293 /nfs/dbraw/zinc/65/52/93/1012655293.db2.gz JENHRXLBESUQNY-ZDUSSCGKSA-N 1 0 400.422 3.638 20 5 HHBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000537397271 1012881149 /nfs/dbraw/zinc/88/11/49/1012881149.db2.gz SSTLNDZMVSNHFX-UHFFFAOYSA-N 1 0 417.531 3.608 20 5 HHBDRO CCc1ccc(OCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000571100081 1072562838 /nfs/dbraw/zinc/56/28/38/1072562838.db2.gz WQWGXIMWXOTCTB-UHFFFAOYSA-N 1 0 411.502 3.625 20 5 HHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000571572228 1072659254 /nfs/dbraw/zinc/65/92/54/1072659254.db2.gz CTILSZBZBSYVEQ-UHFFFAOYSA-N 1 0 400.479 3.809 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000571602201 1072675929 /nfs/dbraw/zinc/67/59/29/1072675929.db2.gz MPKHTJMMBQXGSP-UHFFFAOYSA-N 1 0 406.442 3.504 20 5 HHBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555130344 1073181973 /nfs/dbraw/zinc/18/19/73/1073181973.db2.gz CAIFDWDNSFJIJT-DOTOQJQBSA-N 1 0 409.893 3.825 20 5 HHBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000555165178 1073212898 /nfs/dbraw/zinc/21/28/98/1073212898.db2.gz OMHIAALITURCFF-ZDUSSCGKSA-N 1 0 405.296 3.828 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000555229417 1073275375 /nfs/dbraw/zinc/27/53/75/1073275375.db2.gz IJXZOXRUKYTDEC-LJQANCHMSA-N 1 0 411.502 3.944 20 5 HHBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000590345052 1073749878 /nfs/dbraw/zinc/74/98/78/1073749878.db2.gz KLHLLWYIWZDTLD-AEFFLSMTSA-N 1 0 411.506 3.719 20 5 HHBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000590388866 1073808387 /nfs/dbraw/zinc/80/83/87/1073808387.db2.gz PDAQJQCMBDCTLF-QGZVFWFLSA-N 1 0 424.501 3.664 20 5 HHBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3Cl)[C@@H]2C1 ZINC000590447033 1073839230 /nfs/dbraw/zinc/83/92/30/1073839230.db2.gz XYOJHXRSALDFDX-FOIQADDNSA-N 1 0 414.893 3.636 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC4(C3)CC[NH+](C)CC4)cc2[N+](=O)[O-])C1 ZINC000590548237 1073889323 /nfs/dbraw/zinc/88/93/23/1073889323.db2.gz VMBLGGFOJWITFZ-HDICACEKSA-N 1 0 414.550 3.635 20 5 HHBDRO COc1ccc(C[NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1[N+](=O)[O-] ZINC000555912009 1073953456 /nfs/dbraw/zinc/95/34/56/1073953456.db2.gz PFWNLFMJYQDWPS-QGZVFWFLSA-N 1 0 405.454 3.862 20 5 HHBDRO CN(C(=O)c1cc2ccccc2c2cccnc12)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601474723 1075619194 /nfs/dbraw/zinc/61/91/94/1075619194.db2.gz QDADUBNWSCXSHG-HXUWFJFHSA-N 1 0 402.542 3.629 20 5 HHBDRO O=[N+]([O-])c1ccc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1Cl ZINC001164413949 718880214 /nfs/dbraw/zinc/88/02/14/718880214.db2.gz OZONKJGASVHXNF-NSHDSACASA-N 1 0 414.762 3.841 20 5 HHBDRO CSc1nc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164629644 719081367 /nfs/dbraw/zinc/08/13/67/719081367.db2.gz YIOCQCSKEWLENR-HUUCEWRRSA-N 1 0 419.938 3.861 20 5 HHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC001164843628 720645329 /nfs/dbraw/zinc/64/53/29/720645329.db2.gz WOXKQFDKKMLCOL-CBQOVEMMSA-N 1 0 420.517 3.717 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc([N+](=O)[O-])cc(Cl)n1)CC2 ZINC001164839952 720658960 /nfs/dbraw/zinc/65/89/60/720658960.db2.gz LFUBXTUDMIPQBP-GOSISDBHSA-N 1 0 416.909 3.903 20 5 HHBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)[C@H]2C ZINC001164862302 721010237 /nfs/dbraw/zinc/01/02/37/721010237.db2.gz PXBGPJDHOLRASM-INIZCTEOSA-N 1 0 421.505 3.670 20 5 HHBDRO O=[N+]([O-])c1cccc2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc21 ZINC001164905842 721530146 /nfs/dbraw/zinc/53/01/46/721530146.db2.gz JADBORQLDCDLML-IEBWSBKVSA-N 1 0 408.433 3.624 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905996 721584529 /nfs/dbraw/zinc/58/45/29/721584529.db2.gz KVAUEFXTQGITDU-SFHVURJKSA-N 1 0 423.851 3.776 20 5 HHBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906117 721584963 /nfs/dbraw/zinc/58/49/63/721584963.db2.gz LNHHPCOLRCKTPK-SFHVURJKSA-N 1 0 423.851 3.776 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)C[C@@H]21 ZINC001165027515 721803431 /nfs/dbraw/zinc/80/34/31/721803431.db2.gz WAYHRQDTTHIVIC-XWFZLUIHSA-N 1 0 418.501 3.670 20 5 HHBDRO C[NH+](C)C1CCN(c2ccc(Nc3nc4sccn4c3[N+](=O)[O-])cc2F)CC1 ZINC000301173433 970787087 /nfs/dbraw/zinc/78/70/87/970787087.db2.gz VJXLXAMEENNKEJ-UHFFFAOYSA-N 1 0 404.471 3.717 20 5 HHBDRO O=[N+]([O-])c1cc(Br)ccc1Sc1nnc(C2CC[NH2+]CC2)n1C1CC1 ZINC000301252334 970833768 /nfs/dbraw/zinc/83/37/68/970833768.db2.gz AGYMPODCBSIXKA-UHFFFAOYSA-N 1 0 424.324 3.902 20 5 HHBDRO CC[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3Br)cn2)CC1 ZINC000301355936 970884906 /nfs/dbraw/zinc/88/49/06/970884906.db2.gz KLGHZWUVLHKPOU-UHFFFAOYSA-N 1 0 420.311 3.506 20 5 HHBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000301406303 970912260 /nfs/dbraw/zinc/91/22/60/970912260.db2.gz LYZOWVCAOSFFMG-HNNXBMFYSA-N 1 0 416.503 3.937 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])c4cccnc34)C2)cc(OC)c1 ZINC000301588572 970992941 /nfs/dbraw/zinc/99/29/41/970992941.db2.gz XPUVUEYCWKHTFQ-INIZCTEOSA-N 1 0 408.458 3.847 20 5 HHBDRO COc1cc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(F)cc1[N+](=O)[O-] ZINC000301868274 971092460 /nfs/dbraw/zinc/09/24/60/971092460.db2.gz HYAISDDQDLNFLQ-GASCZTMLSA-N 1 0 403.454 3.964 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301901093 971107104 /nfs/dbraw/zinc/10/71/04/971107104.db2.gz VHXYOBHJNOZBTH-INIZCTEOSA-N 1 0 417.531 3.842 20 5 HHBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccccc2C[NH+]2CCCCC2)s1 ZINC000301930568 971120850 /nfs/dbraw/zinc/12/08/50/971120850.db2.gz OABIHPHTRDOGTC-UHFFFAOYSA-N 1 0 409.533 3.658 20 5 HHBDRO O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc2N1 ZINC000302159400 971190852 /nfs/dbraw/zinc/19/08/52/971190852.db2.gz NOBHJDAENXOLIV-FGTMMUONSA-N 1 0 422.485 3.638 20 5 HHBDRO Cc1cc(N2CCc3c(cccc3N3CCOC3=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302193073 971204261 /nfs/dbraw/zinc/20/42/61/971204261.db2.gz RQOYHXLNMKCCEL-UHFFFAOYSA-N 1 0 404.426 3.971 20 5 HHBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000302977174 971430936 /nfs/dbraw/zinc/43/09/36/971430936.db2.gz HECWTALPPCGDBJ-KRWDZBQOSA-N 1 0 411.911 3.610 20 5 HHBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000303440521 971730172 /nfs/dbraw/zinc/73/01/72/971730172.db2.gz FPKGETVIUADCLJ-UHFFFAOYSA-N 1 0 406.442 3.739 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000303586502 971878683 /nfs/dbraw/zinc/87/86/83/971878683.db2.gz STMUPZAEKQAYLM-HUUCEWRRSA-N 1 0 415.943 3.523 20 5 HHBDRO CC1CC[NH+](C[C@@H]2CCCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000303691982 971967239 /nfs/dbraw/zinc/96/72/39/971967239.db2.gz MHHBTGDZRHUZNQ-INIZCTEOSA-N 1 0 408.930 3.631 20 5 HHBDRO O=C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000303728750 971982382 /nfs/dbraw/zinc/98/23/82/971982382.db2.gz UNKKQKBVUIADCS-MRXNPFEDSA-N 1 0 408.930 3.775 20 5 HHBDRO C[C@@H]1C[C@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303746136 971998962 /nfs/dbraw/zinc/99/89/62/971998962.db2.gz JZFICENWYWBWCV-XMSQKQJNSA-N 1 0 410.518 3.543 20 5 HHBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000537623130 1013171129 /nfs/dbraw/zinc/17/11/29/1013171129.db2.gz XOBMHXJTFBFUMF-JOCHJYFZSA-N 1 0 414.458 3.567 20 5 HHBDRO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537627352 1013178149 /nfs/dbraw/zinc/17/81/49/1013178149.db2.gz USJGLDBRCNHLNQ-FQEVSTJZSA-N 1 0 419.529 3.949 20 5 HHBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000303871812 972412901 /nfs/dbraw/zinc/41/29/01/972412901.db2.gz XQCOGDIWOKRMOP-PKOBYXMFSA-N 1 0 417.531 3.577 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCC23CCC3)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000537635663 1013191105 /nfs/dbraw/zinc/19/11/05/1013191105.db2.gz IXXDFPNTBCVRLN-UHFFFAOYSA-N 1 0 400.479 3.706 20 5 HHBDRO COc1cc(C[N@@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000537660088 1013220686 /nfs/dbraw/zinc/22/06/86/1013220686.db2.gz YKEKVFWUWJNJTL-UHFFFAOYSA-N 1 0 404.385 3.547 20 5 HHBDRO O=[N+]([O-])c1cc2c(ncnc2NCCCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000553294851 1013252154 /nfs/dbraw/zinc/25/21/54/1013252154.db2.gz SBYHBOLJSBIBRL-UHFFFAOYSA-N 1 0 412.519 3.614 20 5 HHBDRO Cn1cc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537691636 1013255744 /nfs/dbraw/zinc/25/57/44/1013255744.db2.gz SUHJNGOKDZSRIR-JOCHJYFZSA-N 1 0 406.486 3.829 20 5 HHBDRO CC1CC[NH+]([C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000010448136 961824199 /nfs/dbraw/zinc/82/41/99/961824199.db2.gz ZUCDDMNECDDHBX-KRWDZBQOSA-N 1 0 403.504 3.625 20 5 HHBDRO COc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000010448150 961824263 /nfs/dbraw/zinc/82/42/63/961824263.db2.gz QCFNUKFFBZEPCJ-QGZVFWFLSA-N 1 0 403.504 3.868 20 5 HHBDRO COc1c(Br)c([N+](=O)[O-])c(NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000014266367 962456754 /nfs/dbraw/zinc/45/67/54/962456754.db2.gz BJPAKLHGTJYQQP-UHFFFAOYSA-N 1 0 417.260 3.559 20 5 HHBDRO O=C(NC1CC1)[C@@H]([NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000015500298 962776340 /nfs/dbraw/zinc/77/63/40/962776340.db2.gz VUWGIOSLGBGXOZ-SFHVURJKSA-N 1 0 422.407 3.635 20 5 HHBDRO COc1ccccc1[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000016241332 962987756 /nfs/dbraw/zinc/98/77/56/962987756.db2.gz HDXICLXCLXHAQQ-SFHVURJKSA-N 1 0 400.504 3.727 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000016599807 963072573 /nfs/dbraw/zinc/07/25/73/963072573.db2.gz SZXPWENAOXQIRO-GOSISDBHSA-N 1 0 424.423 3.835 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000016599806 963072938 /nfs/dbraw/zinc/07/29/38/963072938.db2.gz SZXPWENAOXQIRO-SFHVURJKSA-N 1 0 424.423 3.835 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000542500209 1013444906 /nfs/dbraw/zinc/44/49/06/1013444906.db2.gz SYEBJZIPAKYCOW-CQSZACIVSA-N 1 0 405.882 3.784 20 5 HHBDRO Cc1nn(Cc2ccc(C(=O)Nc3ccccc3C[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000024810541 964080642 /nfs/dbraw/zinc/08/06/42/964080642.db2.gz DYKIMCLWKURACK-UHFFFAOYSA-N 1 0 407.474 3.770 20 5 HHBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000542529012 1013470442 /nfs/dbraw/zinc/47/04/42/1013470442.db2.gz JZGRPEODUWYLKV-JQWIXIFHSA-N 1 0 413.400 3.648 20 5 HHBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000542529013 1013470952 /nfs/dbraw/zinc/47/09/52/1013470952.db2.gz JZGRPEODUWYLKV-PWSUYJOCSA-N 1 0 413.400 3.648 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)c1 ZINC000025288216 964226790 /nfs/dbraw/zinc/22/67/90/964226790.db2.gz BMTGWTIZXHSNRA-URXFXBBRSA-N 1 0 404.466 3.982 20 5 HHBDRO CCOc1ccc(C(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025917883 964390647 /nfs/dbraw/zinc/39/06/47/964390647.db2.gz SAPSNIACBDZZQK-OAQYLSRUSA-N 1 0 411.502 3.806 20 5 HHBDRO O=C(CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026219332 964488639 /nfs/dbraw/zinc/48/86/39/964488639.db2.gz WTIBKFFJLHLMKQ-UHFFFAOYSA-N 1 0 422.407 3.764 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000026230759 964495575 /nfs/dbraw/zinc/49/55/75/964495575.db2.gz WIACKUYMDMOPLJ-QFIPXVFZSA-N 1 0 406.442 3.706 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713513 964960089 /nfs/dbraw/zinc/96/00/89/964960089.db2.gz NMIJYSONCOTCTK-QGZVFWFLSA-N 1 0 418.538 3.518 20 5 HHBDRO COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000537959456 1013538828 /nfs/dbraw/zinc/53/88/28/1013538828.db2.gz HGWYWZHDUHAFMZ-UHOSZYNNSA-N 1 0 409.486 3.710 20 5 HHBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000053134039 965068951 /nfs/dbraw/zinc/06/89/51/965068951.db2.gz IIPKGPHEMPQXBG-MRXNPFEDSA-N 1 0 411.506 3.766 20 5 HHBDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537971770 1013548414 /nfs/dbraw/zinc/54/84/14/1013548414.db2.gz GOGWBVICGWBXNC-HXUWFJFHSA-N 1 0 405.520 3.866 20 5 HHBDRO O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000537987189 1013561130 /nfs/dbraw/zinc/56/11/30/1013561130.db2.gz NTMQOCBCRGOHOG-IEBWSBKVSA-N 1 0 409.486 3.711 20 5 HHBDRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000054210428 965425926 /nfs/dbraw/zinc/42/59/26/965425926.db2.gz ZIRUCQXWOMZDAF-CQSZACIVSA-N 1 0 419.279 3.603 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)COc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000057586846 965501716 /nfs/dbraw/zinc/50/17/16/965501716.db2.gz OAONIFXVLUXHJY-ROUUACIJSA-N 1 0 411.502 3.768 20 5 HHBDRO Cc1nn(Cc2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000029952609 965573693 /nfs/dbraw/zinc/57/36/93/965573693.db2.gz JATDNUJVLYUBJS-UHFFFAOYSA-N 1 0 407.474 3.770 20 5 HHBDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000538018631 1013590797 /nfs/dbraw/zinc/59/07/97/1013590797.db2.gz RYZAMBVLCVIZIW-CABCVRRESA-N 1 0 401.463 3.988 20 5 HHBDRO COc1cc(C(=O)N[C@@H](C)C[NH+](C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000553794563 1013619668 /nfs/dbraw/zinc/61/96/68/1013619668.db2.gz NVEQKDGYPILSRZ-LBPRGKRZSA-N 1 0 407.854 3.729 20 5 HHBDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000060388700 966125679 /nfs/dbraw/zinc/12/56/79/966125679.db2.gz HCQCEDIGWKYLGC-UHFFFAOYSA-N 1 0 409.273 3.906 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000055908427 966136339 /nfs/dbraw/zinc/13/63/39/966136339.db2.gz DRNLRVSMMMGOPS-KRWDZBQOSA-N 1 0 401.438 3.778 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000032140419 966194745 /nfs/dbraw/zinc/19/47/45/966194745.db2.gz SDUCZQPWIFSSQU-NRFANRHFSA-N 1 0 407.474 3.593 20 5 HHBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000056326482 966303823 /nfs/dbraw/zinc/30/38/23/966303823.db2.gz DMUMUGDTDPLIDS-UHFFFAOYSA-N 1 0 405.458 3.671 20 5 HHBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000032892222 966344888 /nfs/dbraw/zinc/34/48/88/966344888.db2.gz QAKDWZJVEIOCTJ-MRXNPFEDSA-N 1 0 414.531 3.774 20 5 HHBDRO C[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000061021211 966352770 /nfs/dbraw/zinc/35/27/70/966352770.db2.gz LFRNUXAHZICMKI-HNNXBMFYSA-N 1 0 402.520 3.929 20 5 HHBDRO Cc1sc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1[N+](=O)[O-] ZINC000056479434 966354211 /nfs/dbraw/zinc/35/42/11/966354211.db2.gz UZMUUQVKVDQLRV-UHFFFAOYSA-N 1 0 400.504 3.749 20 5 HHBDRO CC(C)[N@H+](C)CC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000039563863 966504079 /nfs/dbraw/zinc/50/40/79/966504079.db2.gz DRGGQYLZFKYOQI-UHFFFAOYSA-N 1 0 405.542 3.734 20 5 HHBDRO C[N@H+](Cc1ccccc1NC(=O)C(=O)NCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000062032756 966604178 /nfs/dbraw/zinc/60/41/78/966604178.db2.gz LSAWVUDBIJOUHX-UHFFFAOYSA-N 1 0 424.501 3.614 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000063549774 966887679 /nfs/dbraw/zinc/88/76/79/966887679.db2.gz NQPXODZZDHNJES-UHFFFAOYSA-N 1 0 402.539 3.820 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 ZINC000538126311 1013687775 /nfs/dbraw/zinc/68/77/75/1013687775.db2.gz ZVAAQYPHLPJNSU-INIZCTEOSA-N 1 0 406.442 3.858 20 5 HHBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064129887 967059957 /nfs/dbraw/zinc/05/99/57/967059957.db2.gz JMKCMGRWLZHVID-HNNXBMFYSA-N 1 0 408.930 3.773 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000064693400 967271197 /nfs/dbraw/zinc/27/11/97/967271197.db2.gz YAYWPCZFTUQLHA-OAQYLSRUSA-N 1 0 421.501 3.808 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000065102424 967376829 /nfs/dbraw/zinc/37/68/29/967376829.db2.gz BMLRPVJCGHLBIS-GASCZTMLSA-N 1 0 402.520 3.816 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 ZINC000065110894 967381648 /nfs/dbraw/zinc/38/16/48/967381648.db2.gz SOGBBHZYXQVMHR-SFHVURJKSA-N 1 0 414.462 3.890 20 5 HHBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542869314 1013722324 /nfs/dbraw/zinc/72/23/24/1013722324.db2.gz VLZUCYFVTAOXJC-KRWDZBQOSA-N 1 0 405.401 3.763 20 5 HHBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000046016209 967637110 /nfs/dbraw/zinc/63/71/10/967637110.db2.gz FBZDKKCITSMXFP-UHFFFAOYSA-N 1 0 412.490 3.526 20 5 HHBDRO CC(C)Oc1ccc([C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000554039562 1013768993 /nfs/dbraw/zinc/76/89/93/1013768993.db2.gz RTBSIEBTNQKTSZ-FQEVSTJZSA-N 1 0 417.531 3.893 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(OCC2CC2)c(F)c1 ZINC000538224164 1013774072 /nfs/dbraw/zinc/77/40/72/1013774072.db2.gz NZVDRQSLXNVCGM-CQSZACIVSA-N 1 0 413.449 3.763 20 5 HHBDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000538231712 1013780858 /nfs/dbraw/zinc/78/08/58/1013780858.db2.gz VCUUXWFKHUMIMW-CHWSQXEVSA-N 1 0 414.853 3.507 20 5 HHBDRO Cn1cc(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538228516 1013778145 /nfs/dbraw/zinc/77/81/45/1013778145.db2.gz YIUSRCJULXTCGK-UHFFFAOYSA-N 1 0 419.485 3.884 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3nc4sccn4c3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000047511383 968217432 /nfs/dbraw/zinc/21/74/32/968217432.db2.gz KTAJDOQSVLZODD-OKILXGFUSA-N 1 0 401.492 3.525 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000538240427 1013788842 /nfs/dbraw/zinc/78/88/42/1013788842.db2.gz WTEHWAVWWUKQRQ-UHFFFAOYSA-N 1 0 414.531 3.885 20 5 HHBDRO C[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000048220688 968489862 /nfs/dbraw/zinc/48/98/62/968489862.db2.gz JXQDBBAVTABITJ-OLZOCXBDSA-N 1 0 403.401 3.529 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000538271628 1013811433 /nfs/dbraw/zinc/81/14/33/1013811433.db2.gz JEMNEXWSLGANJK-IYBDPMFKSA-N 1 0 409.552 3.715 20 5 HHBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554132839 1013814321 /nfs/dbraw/zinc/81/43/21/1013814321.db2.gz WGTMAHUCGKLALU-YZZKKUAISA-N 1 0 423.513 3.976 20 5 HHBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554132837 1013814433 /nfs/dbraw/zinc/81/44/33/1013814433.db2.gz WGTMAHUCGKLALU-IUKKYPGJSA-N 1 0 423.513 3.976 20 5 HHBDRO COc1ccc(CSCC(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000065910575 968709960 /nfs/dbraw/zinc/70/99/60/968709960.db2.gz OVBBICUHMIRJNK-UHFFFAOYSA-N 1 0 409.552 3.560 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000065939060 968730245 /nfs/dbraw/zinc/73/02/45/968730245.db2.gz RVFBLXNNXOKVOO-UHFFFAOYSA-N 1 0 409.408 3.747 20 5 HHBDRO CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000065945409 968732606 /nfs/dbraw/zinc/73/26/06/968732606.db2.gz RWEPPVYUBHZVKM-INIZCTEOSA-N 1 0 420.535 3.562 20 5 HHBDRO COc1cc(OCC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000066026740 968773429 /nfs/dbraw/zinc/77/34/29/968773429.db2.gz RSXFXUHDQXRJCM-UHFFFAOYSA-N 1 0 413.474 3.649 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000071954927 968907270 /nfs/dbraw/zinc/90/72/70/968907270.db2.gz IPIBWZYUDONSDN-HNNXBMFYSA-N 1 0 407.474 3.818 20 5 HHBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000105521168 969243282 /nfs/dbraw/zinc/24/32/82/969243282.db2.gz NECXFMXIGPMIAD-INIZCTEOSA-N 1 0 416.909 3.783 20 5 HHBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000108858895 969426590 /nfs/dbraw/zinc/42/65/90/969426590.db2.gz SXWJRAYSPULQHY-KZNAEPCWSA-N 1 0 402.539 3.681 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000109404120 969513195 /nfs/dbraw/zinc/51/31/95/969513195.db2.gz NXQCSZSTFPBIOA-AWEZNQCLSA-N 1 0 416.444 3.652 20 5 HHBDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000109577152 969536976 /nfs/dbraw/zinc/53/69/76/969536976.db2.gz IJWOGVIQEZTMRF-OAHLLOKOSA-N 1 0 414.531 3.873 20 5 HHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000109675977 969547354 /nfs/dbraw/zinc/54/73/54/969547354.db2.gz SLEYHOXJRZLOQE-VQTJNVASSA-N 1 0 409.534 3.585 20 5 HHBDRO COc1ccc([C@@H](C)[NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c(C)c1OC ZINC000554294695 1013897692 /nfs/dbraw/zinc/89/76/92/1013897692.db2.gz SMXWNLHNGVCZKP-CQSZACIVSA-N 1 0 415.446 3.569 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000110514614 969680654 /nfs/dbraw/zinc/68/06/54/969680654.db2.gz SAQUDSXNGXDCAM-QGZVFWFLSA-N 1 0 411.458 3.706 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)c1 ZINC000115860392 969857679 /nfs/dbraw/zinc/85/76/79/969857679.db2.gz NVESDJWTUPNHGQ-HXUWFJFHSA-N 1 0 413.474 3.569 20 5 HHBDRO Cc1nn(Cc2ccc(C(=O)N(CC[NH+](C)C)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000116140749 969875129 /nfs/dbraw/zinc/87/51/29/969875129.db2.gz AGKVKIDPMDEGBI-UHFFFAOYSA-N 1 0 421.501 3.665 20 5 HHBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000116437289 969895012 /nfs/dbraw/zinc/89/50/12/969895012.db2.gz UZQYSTWRIDMCRC-UHFFFAOYSA-N 1 0 415.515 3.860 20 5 HHBDRO CN(C(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000116785306 969922630 /nfs/dbraw/zinc/92/26/30/969922630.db2.gz UIAPWNAQSXCFHD-UHFFFAOYSA-N 1 0 404.264 3.599 20 5 HHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ncc(Br)cc2Br)cc1 ZINC000135297117 969975983 /nfs/dbraw/zinc/97/59/83/969975983.db2.gz AIVSVWDHKMDWNS-UHFFFAOYSA-N 1 0 415.085 3.847 20 5 HHBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000139794036 970046797 /nfs/dbraw/zinc/04/67/97/970046797.db2.gz HCJJBUKMFIEKMJ-UHFFFAOYSA-N 1 0 403.870 3.952 20 5 HHBDRO CC(C)N1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O ZINC000236622271 970147291 /nfs/dbraw/zinc/14/72/91/970147291.db2.gz PBXPUMANKLLBNT-OAQYLSRUSA-N 1 0 419.485 3.546 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000237192413 970238975 /nfs/dbraw/zinc/23/89/75/970238975.db2.gz BIJJSGKJYCJYPX-UHFFFAOYSA-N 1 0 405.248 3.932 20 5 HHBDRO COc1ccc(C[NH2+]Cc2c(C)nn(C)c2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237206398 970241391 /nfs/dbraw/zinc/24/13/91/970241391.db2.gz PBQQAWPAGDEINJ-UHFFFAOYSA-N 1 0 410.474 3.823 20 5 HHBDRO COc1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)ccc1OCCO ZINC000237262657 970250864 /nfs/dbraw/zinc/25/08/64/970250864.db2.gz GXTHLSIPIPPOOD-UHFFFAOYSA-N 1 0 414.483 3.993 20 5 HHBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000145488663 970263177 /nfs/dbraw/zinc/26/31/77/970263177.db2.gz CPAHGIBAINUNBA-UHFFFAOYSA-N 1 0 411.462 3.547 20 5 HHBDRO COc1ccc([C@H](C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000237334805 970264878 /nfs/dbraw/zinc/26/48/78/970264878.db2.gz OQRMAFAIUFOGEM-FQEVSTJZSA-N 1 0 415.490 3.634 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237381875 970274403 /nfs/dbraw/zinc/27/44/03/970274403.db2.gz ZBNVLQPMFIZVEU-VQIMIIECSA-N 1 0 411.502 3.897 20 5 HHBDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000554530685 1013971874 /nfs/dbraw/zinc/97/18/74/1013971874.db2.gz QDIKUUACZHFCIF-ZDUSSCGKSA-N 1 0 406.280 3.907 20 5 HHBDRO Cn1cc(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000237749767 970352871 /nfs/dbraw/zinc/35/28/71/970352871.db2.gz UEFUMDXDZAGSJJ-UHFFFAOYSA-N 1 0 416.485 3.903 20 5 HHBDRO Cn1cc(C[NH2+]CC2(c3ccc(F)cc3)CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237754064 970355138 /nfs/dbraw/zinc/35/51/38/970355138.db2.gz XZFHGJCFYCQWAT-UHFFFAOYSA-N 1 0 424.476 3.972 20 5 HHBDRO Cn1cc(C[NH2+]CCc2nccn2Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237761774 970358520 /nfs/dbraw/zinc/35/85/20/970358520.db2.gz OHUHHZBHBSBQNX-UHFFFAOYSA-N 1 0 416.485 3.572 20 5 HHBDRO Cn1cc(C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237766844 970360680 /nfs/dbraw/zinc/36/06/80/970360680.db2.gz VUAHQBWTVQDAAQ-INIZCTEOSA-N 1 0 409.465 3.751 20 5 HHBDRO Cn1cc(C[NH2+]C[C@H]2CCCN2Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237769075 970361913 /nfs/dbraw/zinc/36/19/13/970361913.db2.gz FWXLGIWYDWJCOG-JOCHJYFZSA-N 1 0 405.502 3.750 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000237773330 970362806 /nfs/dbraw/zinc/36/28/06/970362806.db2.gz YLCLXNSSFVABSC-AWEZNQCLSA-N 1 0 410.879 3.565 20 5 HHBDRO Cc1ccc(C[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)cc1[N+](=O)[O-] ZINC000237790875 970367889 /nfs/dbraw/zinc/36/78/89/970367889.db2.gz DRTJDWIPVAJPAD-UHFFFAOYSA-N 1 0 405.458 3.910 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000237859294 970383545 /nfs/dbraw/zinc/38/35/45/970383545.db2.gz NBLTUNGFPBTOHC-UHFFFAOYSA-N 1 0 421.476 3.745 20 5 HHBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000554599228 1013986544 /nfs/dbraw/zinc/98/65/44/1013986544.db2.gz NIDYHRMEWQXLMJ-MRXNPFEDSA-N 1 0 413.468 3.906 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)COc2ccc(F)cc2)s1 ZINC000238067270 970432953 /nfs/dbraw/zinc/43/29/53/970432953.db2.gz BMWIENXTIIQPMZ-HNNXBMFYSA-N 1 0 402.447 3.992 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000150211716 970435212 /nfs/dbraw/zinc/43/52/12/970435212.db2.gz DOUNMZKKXGEOHG-KRWDZBQOSA-N 1 0 403.504 3.975 20 5 HHBDRO Cc1c(NC(=O)CCN2CCC[N@H+](CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000165673436 970459479 /nfs/dbraw/zinc/45/94/79/970459479.db2.gz QUFYOKJXBGFPRC-UHFFFAOYSA-N 1 0 402.539 3.820 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000247984258 970495296 /nfs/dbraw/zinc/49/52/96/970495296.db2.gz IOHFFUPGCCZRBX-IEBWSBKVSA-N 1 0 417.531 3.749 20 5 HHBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000251287538 970542936 /nfs/dbraw/zinc/54/29/36/970542936.db2.gz TXFGCZDMGXNKFU-MSOLQXFVSA-N 1 0 417.531 3.655 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000301126259 970761145 /nfs/dbraw/zinc/76/11/45/970761145.db2.gz UCZYZRNYBPHFOS-KRWDZBQOSA-N 1 0 415.925 3.682 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000301126261 970761197 /nfs/dbraw/zinc/76/11/97/970761197.db2.gz UCZYZRNYBPHFOS-QGZVFWFLSA-N 1 0 415.925 3.682 20 5 HHBDRO O=[N+]([O-])c1cc(Br)cnc1N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311984096 972629205 /nfs/dbraw/zinc/62/92/05/972629205.db2.gz OVWSEWMRNMBVCD-HZPDHXFCSA-N 1 0 417.307 3.711 20 5 HHBDRO COc1cc(C[N@H+](C)CC2(O)CCCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000426199300 974307870 /nfs/dbraw/zinc/30/78/70/974307870.db2.gz BHBUOHNXIQHNDG-UHFFFAOYSA-N 1 0 402.438 3.764 20 5 HHBDRO CC(C)(CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000426272718 974361484 /nfs/dbraw/zinc/36/14/84/974361484.db2.gz ZQCGZKPYRSFWIL-UHFFFAOYSA-N 1 0 402.417 3.535 20 5 HHBDRO CC[NH+](CC)CC1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000426280975 974367174 /nfs/dbraw/zinc/36/71/74/974367174.db2.gz ABTIEXJFHVQFFG-UHFFFAOYSA-N 1 0 416.444 3.877 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(OC[C@H]4CCCCO4)CC3)o2)c1 ZINC000426827902 974692685 /nfs/dbraw/zinc/69/26/85/974692685.db2.gz XMTNBKXHGCSHFB-HXUWFJFHSA-N 1 0 415.490 3.842 20 5 HHBDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1 ZINC000426894423 974737051 /nfs/dbraw/zinc/73/70/51/974737051.db2.gz BJMPGAIESCAOHJ-IBGZPJMESA-N 1 0 415.493 3.942 20 5 HHBDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl ZINC000428401791 975722611 /nfs/dbraw/zinc/72/26/11/975722611.db2.gz GSQFTKUNYGAWKF-UHFFFAOYSA-N 1 0 422.869 3.555 20 5 HHBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000428792425 976068543 /nfs/dbraw/zinc/06/85/43/976068543.db2.gz WHPDIJNBGZKVAM-QFIPXVFZSA-N 1 0 407.426 3.567 20 5 HHBDRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429256090 976544613 /nfs/dbraw/zinc/54/46/13/976544613.db2.gz PELMXAIGJLRDAU-AWEZNQCLSA-N 1 0 407.902 3.746 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1OC ZINC000429295098 976575317 /nfs/dbraw/zinc/57/53/17/976575317.db2.gz AICBDKRFZJFNHD-WMLDXEAASA-N 1 0 400.475 3.991 20 5 HHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C12CCCCC2 ZINC000429787031 977067684 /nfs/dbraw/zinc/06/76/84/977067684.db2.gz MKHMDWBKBWTJEF-NIKGAXFTSA-N 1 0 405.495 3.648 20 5 HHBDRO CC(=O)N1CCC([N@H+](C/C=C/c2ccccc2[N+](=O)[O-])Cc2cncs2)CC1 ZINC000430191265 977382604 /nfs/dbraw/zinc/38/26/04/977382604.db2.gz FUJOUPSLMMZUHO-GQCTYLIASA-N 1 0 400.504 3.578 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000430206853 977391357 /nfs/dbraw/zinc/39/13/57/977391357.db2.gz LPEVSXTXBKBVPZ-UHFFFAOYSA-N 1 0 419.865 3.813 20 5 HHBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430684825 977694376 /nfs/dbraw/zinc/69/43/76/977694376.db2.gz OVLNAGCKBRQGLN-FQEVSTJZSA-N 1 0 411.502 3.653 20 5 HHBDRO COc1ccc(OCC[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430826620 977781816 /nfs/dbraw/zinc/78/18/16/977781816.db2.gz IHEWXUKBUDGDEF-ICSRJNTNSA-N 1 0 413.518 3.967 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430946560 977907196 /nfs/dbraw/zinc/90/71/96/977907196.db2.gz WYGYZZHMOBDOOM-UHFFFAOYSA-N 1 0 424.270 3.700 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000431055440 977983917 /nfs/dbraw/zinc/98/39/17/977983917.db2.gz IDCBEKALTFEJCO-NVXWUHKLSA-N 1 0 420.469 3.632 20 5 HHBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431165039 978065140 /nfs/dbraw/zinc/06/51/40/978065140.db2.gz BHYISMLMSQOTQU-UHFFFAOYSA-N 1 0 418.291 3.883 20 5 HHBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431477515 978322508 /nfs/dbraw/zinc/32/25/08/978322508.db2.gz LXNWQJMOERZOTN-UHFFFAOYSA-N 1 0 410.312 3.884 20 5 HHBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000431918550 978600188 /nfs/dbraw/zinc/60/01/88/978600188.db2.gz JCGRIDHZTDHRTH-WMLDXEAASA-N 1 0 423.922 3.580 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431922496 978602926 /nfs/dbraw/zinc/60/29/26/978602926.db2.gz FKCWHJMNVOHEMB-XJKCOSOUSA-N 1 0 410.312 3.835 20 5 HHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432549421 978880441 /nfs/dbraw/zinc/88/04/41/978880441.db2.gz KHHQYCGWHQZCRM-MRXNPFEDSA-N 1 0 409.552 3.718 20 5 HHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432549420 978880646 /nfs/dbraw/zinc/88/06/46/978880646.db2.gz KHHQYCGWHQZCRM-INIZCTEOSA-N 1 0 409.552 3.718 20 5 HHBDRO COc1ccc(-c2ccc(C[N@H+](C)CCCNC(=O)C3CCC3)o2)c([N+](=O)[O-])c1 ZINC000432790384 978975258 /nfs/dbraw/zinc/97/52/58/978975258.db2.gz WJHQYSQOWZNZPI-UHFFFAOYSA-N 1 0 401.463 3.602 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(CO)(c4ccccc4)CC3)o2)c1 ZINC000433044795 979050493 /nfs/dbraw/zinc/05/04/93/979050493.db2.gz OHQMDQMQLPZEST-UHFFFAOYSA-N 1 0 407.470 3.818 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433116533 979080519 /nfs/dbraw/zinc/08/05/19/979080519.db2.gz ROQCJRFGASDFAE-UHFFFAOYSA-N 1 0 422.529 3.830 20 5 HHBDRO COCC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433194918 979133987 /nfs/dbraw/zinc/13/39/87/979133987.db2.gz OYWRIKDVYNQQRG-ZDUSSCGKSA-N 1 0 406.451 3.549 20 5 HHBDRO CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434158636 979920315 /nfs/dbraw/zinc/92/03/15/979920315.db2.gz GEDTUFPGARALKN-UHFFFAOYSA-N 1 0 422.485 3.687 20 5 HHBDRO C[N@H+](CCOc1cccc(CNc2ncc(Cl)cc2[N+](=O)[O-])c1)C1CCOCC1 ZINC000434959901 980532230 /nfs/dbraw/zinc/53/22/30/980532230.db2.gz OSZLEJSNXMPTSG-UHFFFAOYSA-N 1 0 420.897 3.745 20 5 HHBDRO Cc1c(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435323994 980782479 /nfs/dbraw/zinc/78/24/79/980782479.db2.gz RHQFOQPBRQXSSD-NSHDSACASA-N 1 0 401.305 3.764 20 5 HHBDRO Cc1c(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435325714 980784606 /nfs/dbraw/zinc/78/46/06/980784606.db2.gz BWOZTVHPSTXGSZ-UHFFFAOYSA-N 1 0 413.316 3.908 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435369465 980818567 /nfs/dbraw/zinc/81/85/67/980818567.db2.gz LHLKNIRCBOVYNQ-LJQANCHMSA-N 1 0 405.458 3.799 20 5 HHBDRO Cc1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000435372140 980821709 /nfs/dbraw/zinc/82/17/09/980821709.db2.gz ZZGVCNVNCDICHI-IBGZPJMESA-N 1 0 405.458 3.799 20 5 HHBDRO C[S@](=O)C1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000435750092 981015119 /nfs/dbraw/zinc/01/51/19/981015119.db2.gz WPXQDKZCAQTTSX-PMERELPUSA-N 1 0 424.526 3.838 20 5 HHBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000435818378 981044271 /nfs/dbraw/zinc/04/42/71/981044271.db2.gz SCVXNKCDTIHFCH-UHFFFAOYSA-N 1 0 421.447 3.951 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436002589 981145669 /nfs/dbraw/zinc/14/56/69/981145669.db2.gz FMRYJSPERWKFBI-HOTGVXAUSA-N 1 0 409.505 3.918 20 5 HHBDRO C[N@H+](CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)Cc1ccccc1 ZINC000436139882 981216007 /nfs/dbraw/zinc/21/60/07/981216007.db2.gz GJHMBLKPLQXEPL-UHFFFAOYSA-N 1 0 421.447 3.821 20 5 HHBDRO COc1ccc([C@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000436266266 981276773 /nfs/dbraw/zinc/27/67/73/981276773.db2.gz NUIDMKASVWAZAI-ZDUSSCGKSA-N 1 0 414.384 3.741 20 5 HHBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C[C@H]1[NH+]1CCCC1 ZINC000436436729 981369215 /nfs/dbraw/zinc/36/92/15/981369215.db2.gz VSRPRZGBDCVXFN-MOPGFXCFSA-N 1 0 414.531 3.585 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3O)CC2)cc1[N+](=O)[O-] ZINC000436576969 981455899 /nfs/dbraw/zinc/45/58/99/981455899.db2.gz NOFYMWNZVWDDDD-HNNXBMFYSA-N 1 0 413.474 3.655 20 5 HHBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000448283430 981671364 /nfs/dbraw/zinc/67/13/64/981671364.db2.gz YFJOQMZZZJCCHD-HNNXBMFYSA-N 1 0 402.520 3.816 20 5 HHBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000448286674 981673902 /nfs/dbraw/zinc/67/39/02/981673902.db2.gz ASZVOUJYMLHNTF-HNNXBMFYSA-N 1 0 402.520 3.816 20 5 HHBDRO C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000437457690 982090658 /nfs/dbraw/zinc/09/06/58/982090658.db2.gz FPJKKOJHYACNOZ-INIZCTEOSA-N 1 0 401.894 3.914 20 5 HHBDRO COc1ccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000438346025 982735685 /nfs/dbraw/zinc/73/56/85/982735685.db2.gz KEFPWJCQFWFSAH-NRFANRHFSA-N 1 0 400.475 3.775 20 5 HHBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000461041238 982742157 /nfs/dbraw/zinc/74/21/57/982742157.db2.gz GGERUEOHVLOZDZ-KRWDZBQOSA-N 1 0 407.392 3.547 20 5 HHBDRO CC(C)C1CCC([NH+]2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000438554901 982895331 /nfs/dbraw/zinc/89/53/31/982895331.db2.gz QSLWCCOFZOBIFV-PGYGNJIDSA-N 1 0 402.539 3.754 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)cc2[N+](=O)[O-])C1 ZINC000461264613 982971047 /nfs/dbraw/zinc/97/10/47/982971047.db2.gz OZZBXPZLTSHTFB-MJGOQNOKSA-N 1 0 402.539 3.778 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000461416357 983080131 /nfs/dbraw/zinc/08/01/31/983080131.db2.gz FCVOPWWDURHDSC-MOPGFXCFSA-N 1 0 414.550 3.779 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CCO)C2CCOCC2)ccc1Oc1ccc(F)cc1 ZINC000461421242 983084690 /nfs/dbraw/zinc/08/46/90/983084690.db2.gz BCIPQTMQLBKINJ-LJQANCHMSA-N 1 0 404.438 3.793 20 5 HHBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461432785 983095758 /nfs/dbraw/zinc/09/57/58/983095758.db2.gz VSFQAJGOPYLDKI-ROUUACIJSA-N 1 0 404.470 3.670 20 5 HHBDRO CC(C)[N@@H+](Cc1ccc(-c2cccc(F)c2)s1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438838961 983106730 /nfs/dbraw/zinc/10/67/30/983106730.db2.gz WDDMYJKFVQVUKQ-GOSISDBHSA-N 1 0 418.494 3.930 20 5 HHBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461456648 983122830 /nfs/dbraw/zinc/12/28/30/983122830.db2.gz PWYHDZFIUHSZRA-MJGOQNOKSA-N 1 0 405.454 3.935 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000439016095 983211919 /nfs/dbraw/zinc/21/19/19/983211919.db2.gz BLNMOMOHXQTFFJ-GDVKCFTOSA-N 1 0 403.523 3.883 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000439732804 983518676 /nfs/dbraw/zinc/51/86/76/983518676.db2.gz BETYSMJBZSRQAP-OAHLLOKOSA-N 1 0 409.490 3.520 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000439878381 983566313 /nfs/dbraw/zinc/56/63/13/983566313.db2.gz BUIIONUAJRVWNB-KRWDZBQOSA-N 1 0 404.511 3.969 20 5 HHBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c([N+](=O)[O-])c1 ZINC000441085495 984061222 /nfs/dbraw/zinc/06/12/22/984061222.db2.gz LXDNLLSGZULZLX-LBPRGKRZSA-N 1 0 414.409 3.549 20 5 HHBDRO COc1ccc(OCC[N@H+](C)Cc2csc(Br)c2)c([N+](=O)[O-])c1 ZINC000441240048 984133141 /nfs/dbraw/zinc/13/31/41/984133141.db2.gz XCPROXBTENGNCS-UHFFFAOYSA-N 1 0 401.282 3.938 20 5 HHBDRO C[NH+](C)CC1CCC(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000441621435 984360351 /nfs/dbraw/zinc/36/03/51/984360351.db2.gz IPXMGPHRPJRGRK-UHFFFAOYSA-N 1 0 419.469 3.942 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000442185003 984706892 /nfs/dbraw/zinc/70/68/92/984706892.db2.gz PENIUIBVNSJNNI-UHFFFAOYSA-N 1 0 424.501 3.755 20 5 HHBDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000442797435 985218930 /nfs/dbraw/zinc/21/89/30/985218930.db2.gz WWUVWUYKCOVUSD-INIZCTEOSA-N 1 0 412.408 3.964 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000462497145 985449946 /nfs/dbraw/zinc/44/99/46/985449946.db2.gz WCVWLODITLBSKN-KRWDZBQOSA-N 1 0 412.490 3.692 20 5 HHBDRO CNc1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000462781273 985716182 /nfs/dbraw/zinc/71/61/82/985716182.db2.gz XTOIAMAAFNWEJT-UYAOXDASSA-N 1 0 408.502 3.763 20 5 HHBDRO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1OC(F)F ZINC000462829512 985751366 /nfs/dbraw/zinc/75/13/66/985751366.db2.gz GQPBMHZMMIKNRF-UHFFFAOYSA-N 1 0 407.417 3.765 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(CNc3cccc(C[N@H+]4CC[C@@H](O)C4)c3)cs2)c1 ZINC000462868109 985793223 /nfs/dbraw/zinc/79/32/23/985793223.db2.gz PIHLXNXITFDPGV-HXUWFJFHSA-N 1 0 410.499 3.897 20 5 HHBDRO CNc1c(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000462901093 985829553 /nfs/dbraw/zinc/82/95/53/985829553.db2.gz BGXUGCBXKPYACK-UHFFFAOYSA-N 1 0 402.882 3.684 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000462928677 985864398 /nfs/dbraw/zinc/86/43/98/985864398.db2.gz YBXJGIHVVBYGBV-HXUWFJFHSA-N 1 0 424.545 3.724 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1C ZINC000443727400 985938002 /nfs/dbraw/zinc/93/80/02/985938002.db2.gz CMBBFRPYGQSTNT-UHFFFAOYSA-N 1 0 409.552 3.533 20 5 HHBDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000468471378 986164876 /nfs/dbraw/zinc/16/48/76/986164876.db2.gz VEPQYVJZZWMHOS-INIZCTEOSA-N 1 0 400.479 3.549 20 5 HHBDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000463210819 986182648 /nfs/dbraw/zinc/18/26/48/986182648.db2.gz HCZWIODZVUQABF-QEEHTWDDSA-N 1 0 417.506 3.544 20 5 HHBDRO C[NH+](C)Cc1cc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)ccc1F ZINC000444026537 986220617 /nfs/dbraw/zinc/22/06/17/986220617.db2.gz YPHHCOTUAYTKRQ-UHFFFAOYSA-N 1 0 421.447 3.951 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CCCC2CCOCC2)CC1 ZINC000463296405 986263902 /nfs/dbraw/zinc/26/39/02/986263902.db2.gz UAGYVFMJJPTUOY-UHFFFAOYSA-N 1 0 401.429 3.942 20 5 HHBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444108566 986307595 /nfs/dbraw/zinc/30/75/95/986307595.db2.gz JWPLBCANZWBYGO-INIZCTEOSA-N 1 0 407.489 3.624 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C ZINC000468625117 986342022 /nfs/dbraw/zinc/34/20/22/986342022.db2.gz KGGJAYGXBRELRD-BOPFTXTBSA-N 1 0 417.531 3.616 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1 ZINC000468639314 986354850 /nfs/dbraw/zinc/35/48/50/986354850.db2.gz SACLRZAPRAKALE-BOPFTXTBSA-N 1 0 417.531 3.616 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000468642493 986357572 /nfs/dbraw/zinc/35/75/72/986357572.db2.gz RVYMRBSHXMFXKY-JRVGGCGHSA-N 1 0 409.486 3.697 20 5 HHBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000444247128 986440052 /nfs/dbraw/zinc/44/00/52/986440052.db2.gz KYSYZPORHDNUQX-BTYIYWSLSA-N 1 0 419.500 3.909 20 5 HHBDRO CC(C)CCSc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000444382473 986557491 /nfs/dbraw/zinc/55/74/91/986557491.db2.gz GELGWTMJJWZVPN-INIZCTEOSA-N 1 0 423.579 3.650 20 5 HHBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)CC1 ZINC000468990876 986697028 /nfs/dbraw/zinc/69/70/28/986697028.db2.gz MYZOTXBNWRFZDD-UHFFFAOYSA-N 1 0 419.485 3.926 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)nc2c1 ZINC000444637833 986824468 /nfs/dbraw/zinc/82/44/68/986824468.db2.gz HEZFKMKMXPWUJT-GCJKJVERSA-N 1 0 405.502 3.958 20 5 HHBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cccc21 ZINC000469132165 986851791 /nfs/dbraw/zinc/85/17/91/986851791.db2.gz STGQJUZFMSNKDV-OAHLLOKOSA-N 1 0 407.373 3.834 20 5 HHBDRO Cc1cc(Br)ccc1C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000444698902 986873196 /nfs/dbraw/zinc/87/31/96/986873196.db2.gz DHULLFNKLDOJPE-INIZCTEOSA-N 1 0 409.280 3.537 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])CC(C)C ZINC000469254569 986973478 /nfs/dbraw/zinc/97/34/78/986973478.db2.gz RWJCAZWSJDTAMT-AWEZNQCLSA-N 1 0 400.317 3.844 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000469269730 986988505 /nfs/dbraw/zinc/98/85/05/986988505.db2.gz UWRLAYLAGKKKGS-GFCCVEGCSA-N 1 0 400.547 3.720 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000444897599 987046558 /nfs/dbraw/zinc/04/65/58/987046558.db2.gz FENHAWJIMITMIV-AWEZNQCLSA-N 1 0 404.492 3.699 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)cc1SC ZINC000469341702 987048453 /nfs/dbraw/zinc/04/84/53/987048453.db2.gz LUKDJNMIBNHCBS-OAHLLOKOSA-N 1 0 417.487 3.963 20 5 HHBDRO C[NH+](C)CCc1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000469494297 987174065 /nfs/dbraw/zinc/17/40/65/987174065.db2.gz QYVJXNAGTUKAHT-UHFFFAOYSA-N 1 0 413.521 3.575 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469495696 987175077 /nfs/dbraw/zinc/17/50/77/987175077.db2.gz KFFIAYQOHHKRPW-INIZCTEOSA-N 1 0 411.380 3.655 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)cc2)C[C@H](C)O1 ZINC000445476668 987540787 /nfs/dbraw/zinc/54/07/87/987540787.db2.gz GSJZKXFQLOGTDK-STQMWFEESA-N 1 0 400.460 3.983 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445838967 987909603 /nfs/dbraw/zinc/90/96/03/987909603.db2.gz DMSMCXSFBZOLCY-CQSZACIVSA-N 1 0 412.328 3.671 20 5 HHBDRO C[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000470146707 988053816 /nfs/dbraw/zinc/05/38/16/988053816.db2.gz LCOXJXZSQOLDBZ-CYBMUJFWSA-N 1 0 419.432 3.508 20 5 HHBDRO COC1CC[NH+](C2(CNC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CCCC2)CC1 ZINC000463946902 988057831 /nfs/dbraw/zinc/05/78/31/988057831.db2.gz BQBKVLZMGVDPDX-UHFFFAOYSA-N 1 0 404.511 3.757 20 5 HHBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)[C@H]1C ZINC000470153351 988062843 /nfs/dbraw/zinc/06/28/43/988062843.db2.gz SDLYARNDJKSPGT-KXBFYZLASA-N 1 0 414.458 3.566 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H](C[N@H+](C)CC4CC4)C3)cc2[N+](=O)[O-])CC1 ZINC000470216649 988143141 /nfs/dbraw/zinc/14/31/41/988143141.db2.gz URFMWLHQNVMCCK-IBGZPJMESA-N 1 0 414.550 3.635 20 5 HHBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000464345232 988492696 /nfs/dbraw/zinc/49/26/96/988492696.db2.gz WWZVITFSXJBIEY-IBGZPJMESA-N 1 0 403.526 3.535 20 5 HHBDRO O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464658790 988850495 /nfs/dbraw/zinc/85/04/95/988850495.db2.gz FYDSKOSKOYNMPH-JOCHJYFZSA-N 1 0 409.486 3.629 20 5 HHBDRO O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000470845574 988923619 /nfs/dbraw/zinc/92/36/19/988923619.db2.gz UVCUTEDMSTUCRY-UHFFFAOYSA-N 1 0 414.893 3.781 20 5 HHBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464833445 989074925 /nfs/dbraw/zinc/07/49/25/989074925.db2.gz FBILXUNZIARDFO-GOSISDBHSA-N 1 0 407.474 3.599 20 5 HHBDRO C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000464840691 989085649 /nfs/dbraw/zinc/08/56/49/989085649.db2.gz VWNSALGSMPEBIM-INIZCTEOSA-N 1 0 416.909 3.783 20 5 HHBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000471228426 989371703 /nfs/dbraw/zinc/37/17/03/989371703.db2.gz USTMCLGBTSVNDA-UHFFFAOYSA-N 1 0 400.454 3.764 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1SC ZINC000471274270 989424586 /nfs/dbraw/zinc/42/45/86/989424586.db2.gz VMLFORHYMASEOZ-INIZCTEOSA-N 1 0 415.515 3.577 20 5 HHBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471279464 989432149 /nfs/dbraw/zinc/43/21/49/989432149.db2.gz LUAHBYIDWMDFFX-MRXNPFEDSA-N 1 0 419.934 3.979 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000471283277 989437786 /nfs/dbraw/zinc/43/77/86/989437786.db2.gz OLIMDMTYNVDNKC-OAHLLOKOSA-N 1 0 407.392 3.866 20 5 HHBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000465251677 989602672 /nfs/dbraw/zinc/60/26/72/989602672.db2.gz JRILNKLRZGLHKZ-UHFFFAOYSA-N 1 0 417.428 3.577 20 5 HHBDRO COc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000465709876 990095311 /nfs/dbraw/zinc/09/53/11/990095311.db2.gz OSONCJIRKDHBGI-HNAYVOBHSA-N 1 0 418.519 3.547 20 5 HHBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000472042493 990212723 /nfs/dbraw/zinc/21/27/23/990212723.db2.gz KULFQIOXEYOHSQ-NRFANRHFSA-N 1 0 414.506 3.659 20 5 HHBDRO C[NH+](C)CC[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C ZINC000466028413 991198869 /nfs/dbraw/zinc/19/88/69/991198869.db2.gz XIWPHPLWIKZMRY-LJQANCHMSA-N 1 0 406.527 3.514 20 5 HHBDRO CCCOc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCCC ZINC000466038132 991208822 /nfs/dbraw/zinc/20/88/22/991208822.db2.gz KEQUWGVIQPGCKW-LSDHHAIUSA-N 1 0 408.499 3.777 20 5 HHBDRO CSc1ccc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000466258929 991504902 /nfs/dbraw/zinc/50/49/02/991504902.db2.gz WJQBAKWDRSGTOS-UHFFFAOYSA-N 1 0 416.503 3.768 20 5 HHBDRO Cc1sc(S(=O)(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467081690 992387946 /nfs/dbraw/zinc/38/79/46/992387946.db2.gz NDMXVAJCLMNXBL-PBHICJAKSA-N 1 0 423.560 3.638 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000467228582 992551461 /nfs/dbraw/zinc/55/14/61/992551461.db2.gz IVLBALGCILPKNZ-IBGZPJMESA-N 1 0 402.882 3.885 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000467228584 992551764 /nfs/dbraw/zinc/55/17/64/992551764.db2.gz IVLBALGCILPKNZ-LJQANCHMSA-N 1 0 402.882 3.885 20 5 HHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)n1 ZINC000467402676 992710251 /nfs/dbraw/zinc/71/02/51/992710251.db2.gz FKAHBQSWAJWQPH-HKUYNNGSSA-N 1 0 419.913 3.555 20 5 HHBDRO CCS(=O)(=O)c1cccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000467412062 992716271 /nfs/dbraw/zinc/71/62/71/992716271.db2.gz GMDISZUEZJHJFA-PXNSSMCTSA-N 1 0 402.516 3.889 20 5 HHBDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467840954 993072769 /nfs/dbraw/zinc/07/27/69/993072769.db2.gz SSFOYALDHOSFAO-SJORKVTESA-N 1 0 417.531 3.866 20 5 HHBDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467840952 993072921 /nfs/dbraw/zinc/07/29/21/993072921.db2.gz SSFOYALDHOSFAO-IRXDYDNUSA-N 1 0 417.531 3.866 20 5 HHBDRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467858658 993090007 /nfs/dbraw/zinc/09/00/07/993090007.db2.gz KZWOFNDVFFZASU-CYBMUJFWSA-N 1 0 406.280 3.828 20 5 HHBDRO C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cccc([N+](=O)[O-])c1 ZINC000467869951 993099308 /nfs/dbraw/zinc/09/93/08/993099308.db2.gz XHCSWZRACNKRRR-HNNXBMFYSA-N 1 0 423.560 3.724 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472472040 993473969 /nfs/dbraw/zinc/47/39/69/993473969.db2.gz BYCIRZHVMFHESF-OAQYLSRUSA-N 1 0 410.518 3.828 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000472494848 993495647 /nfs/dbraw/zinc/49/56/47/993495647.db2.gz FRMCQFFMXLQZMF-ROUUACIJSA-N 1 0 420.513 3.822 20 5 HHBDRO Cn1cc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000473066997 993988163 /nfs/dbraw/zinc/98/81/63/993988163.db2.gz PPZFQTZWDMTGHX-UHFFFAOYSA-N 1 0 424.476 3.704 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481384373 994215806 /nfs/dbraw/zinc/21/58/06/994215806.db2.gz UXSYMOIWAKMBHV-HXPMCKFVSA-N 1 0 407.854 3.561 20 5 HHBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473497962 994344652 /nfs/dbraw/zinc/34/46/52/994344652.db2.gz MTOBJQLHRAVYMT-HSZRJFAPSA-N 1 0 408.502 3.521 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000481526166 994357661 /nfs/dbraw/zinc/35/76/61/994357661.db2.gz FJFLIYAYVYBCDC-RNODOKPDSA-N 1 0 421.881 3.951 20 5 HHBDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000473519347 994373747 /nfs/dbraw/zinc/37/37/47/994373747.db2.gz NIBJKIDDVYYDHC-UHFFFAOYSA-N 1 0 411.380 3.876 20 5 HHBDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000473523020 994379011 /nfs/dbraw/zinc/37/90/11/994379011.db2.gz RBZIMGYQNFAXJT-UHFFFAOYSA-N 1 0 410.396 3.611 20 5 HHBDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000473534079 994392899 /nfs/dbraw/zinc/39/28/99/994392899.db2.gz UMWHNLNOYDXPOT-UHFFFAOYSA-N 1 0 405.804 3.783 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1 ZINC000481819343 994669871 /nfs/dbraw/zinc/66/98/71/994669871.db2.gz ADLLWNQWLCTSEK-JKSUJKDBSA-N 1 0 406.866 3.775 20 5 HHBDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 ZINC000473769170 994687818 /nfs/dbraw/zinc/68/78/18/994687818.db2.gz BVNBFCPXOIKIMF-LJQANCHMSA-N 1 0 400.479 3.734 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1(c2ccccc2)CCCC1 ZINC000481850545 994707851 /nfs/dbraw/zinc/70/78/51/994707851.db2.gz YQVXNESIXNYJFU-HNNXBMFYSA-N 1 0 411.458 3.752 20 5 HHBDRO Cc1cc(NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000473785891 994709609 /nfs/dbraw/zinc/70/96/09/994709609.db2.gz KPUNDQDHPSBVKA-KRWDZBQOSA-N 1 0 412.490 3.925 20 5 HHBDRO COc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000481881710 994745726 /nfs/dbraw/zinc/74/57/26/994745726.db2.gz JVIYDKWSTHWWNE-WOJBJXKFSA-N 1 0 409.486 3.730 20 5 HHBDRO COc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000481881704 994745914 /nfs/dbraw/zinc/74/59/14/994745914.db2.gz JVIYDKWSTHWWNE-PMACEKPBSA-N 1 0 409.486 3.730 20 5 HHBDRO CN(CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000481908966 994781788 /nfs/dbraw/zinc/78/17/88/994781788.db2.gz YCHKJHUQKFKQAD-SFTDATJTSA-N 1 0 422.529 3.544 20 5 HHBDRO CCC[C@@H]([NH2+]Cc1ccccc1N1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482016705 994926801 /nfs/dbraw/zinc/92/68/01/994926801.db2.gz MLFKONCWBFCAKP-JOCHJYFZSA-N 1 0 410.518 3.894 20 5 HHBDRO COc1cccc([C@H]2[C@H](NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC[N@@H+]2C2CC2)c1 ZINC000482049136 994972543 /nfs/dbraw/zinc/97/25/43/994972543.db2.gz MZWGKOBGCXDTHS-YADHBBJMSA-N 1 0 423.513 3.975 20 5 HHBDRO COc1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000474207890 995203140 /nfs/dbraw/zinc/20/31/40/995203140.db2.gz UCAKXSYGYOWEGE-QGZVFWFLSA-N 1 0 403.504 3.868 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)cc1[N+](=O)[O-] ZINC000474351840 995331119 /nfs/dbraw/zinc/33/11/19/995331119.db2.gz CPPWZPPYFVWHOR-OAQYLSRUSA-N 1 0 402.422 3.917 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC(C)(C)Cc3oc(C)cc32)cc1[N+](=O)[O-] ZINC000474355363 995335424 /nfs/dbraw/zinc/33/54/24/995335424.db2.gz ONUWMQBEOWFFCA-MRXNPFEDSA-N 1 0 402.447 3.851 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000474374263 995353641 /nfs/dbraw/zinc/35/36/41/995353641.db2.gz RYAPETOVBAGZQY-TZMCWYRMSA-N 1 0 404.385 3.605 20 5 HHBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1Oc1ccccc1 ZINC000482492174 995502448 /nfs/dbraw/zinc/50/24/48/995502448.db2.gz SROFCVJHKNATFO-XJUOHMSHSA-N 1 0 422.485 3.710 20 5 HHBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000482498750 995509857 /nfs/dbraw/zinc/50/98/57/995509857.db2.gz BUSDYFHJBLKZCH-XPNTWCBSSA-N 1 0 422.485 3.730 20 5 HHBDRO O=[N+]([O-])c1cccc(CNc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000482558060 995564795 /nfs/dbraw/zinc/56/47/95/995564795.db2.gz ZSTFKXVDPZDDAN-UHFFFAOYSA-N 1 0 417.513 3.967 20 5 HHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000482872494 995807258 /nfs/dbraw/zinc/80/72/58/995807258.db2.gz ZHAINKIEXVTASB-INIZCTEOSA-N 1 0 405.454 3.974 20 5 HHBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000482913345 995842711 /nfs/dbraw/zinc/84/27/11/995842711.db2.gz YNXXIBAGWPKEJI-QGZVFWFLSA-N 1 0 419.884 3.958 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475101738 995922565 /nfs/dbraw/zinc/92/25/65/995922565.db2.gz DYHYRHYCVJSXJU-QHCPKHFHSA-N 1 0 408.502 3.793 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000475220664 996005504 /nfs/dbraw/zinc/00/55/04/996005504.db2.gz QACRLPBKIRPSJY-UHFFFAOYSA-N 1 0 423.395 3.795 20 5 HHBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475297745 996053306 /nfs/dbraw/zinc/05/33/06/996053306.db2.gz DLRPPXYHJILQFJ-MRXNPFEDSA-N 1 0 418.291 3.704 20 5 HHBDRO CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475314781 996064593 /nfs/dbraw/zinc/06/45/93/996064593.db2.gz IFNXRUIWEXSBNB-HXUWFJFHSA-N 1 0 408.502 3.542 20 5 HHBDRO CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475322726 996070446 /nfs/dbraw/zinc/07/04/46/996070446.db2.gz RRCLPWGVEXNOBO-INIZCTEOSA-N 1 0 407.392 3.960 20 5 HHBDRO Cc1c(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000483349327 996116050 /nfs/dbraw/zinc/11/60/50/996116050.db2.gz FVBGFTDHOPQMBO-IUODEOHRSA-N 1 0 411.300 3.756 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1SC ZINC000483470789 996201167 /nfs/dbraw/zinc/20/11/67/996201167.db2.gz PFRJYCBRBLSAIE-GOEBONIOSA-N 1 0 415.515 3.891 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000475567589 996222667 /nfs/dbraw/zinc/22/26/67/996222667.db2.gz DGTDUFZBVDBLOV-CALCHBBNSA-N 1 0 404.511 3.565 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000475569286 996223964 /nfs/dbraw/zinc/22/39/64/996223964.db2.gz CBZQLKVYQMGHHQ-WMZOPIPTSA-N 1 0 402.422 3.712 20 5 HHBDRO COC(=O)c1cc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(C)c([N+](=O)[O-])c1 ZINC000483597142 996276072 /nfs/dbraw/zinc/27/60/72/996276072.db2.gz ZABDPKFGSJMDES-KUHUBIRLSA-N 1 0 414.462 3.503 20 5 HHBDRO CC(C)([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(OC(F)(F)F)cc1 ZINC000475701457 996309740 /nfs/dbraw/zinc/30/97/40/996309740.db2.gz LXLHMDRNYOOCND-UHFFFAOYSA-N 1 0 423.391 3.907 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000475713856 996316985 /nfs/dbraw/zinc/31/69/85/996316985.db2.gz FSJUEHASQRJTHJ-SPLOXXLWSA-N 1 0 402.422 3.869 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000484626100 996959567 /nfs/dbraw/zinc/95/95/67/996959567.db2.gz XZVRVXXPIXKEIV-GJZGRUSLSA-N 1 0 410.421 3.717 20 5 HHBDRO Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000484634921 996970183 /nfs/dbraw/zinc/97/01/83/996970183.db2.gz HQCBDPTVMQYXHJ-CTNGQTDRSA-N 1 0 418.515 3.657 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000484640535 996975089 /nfs/dbraw/zinc/97/50/89/996975089.db2.gz HHDJEKSMJRRAJF-ICSRJNTNSA-N 1 0 413.474 3.830 20 5 HHBDRO CC[C@@H](C)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000484893847 997261961 /nfs/dbraw/zinc/26/19/61/997261961.db2.gz NATFFCFPMQNVFR-CYBMUJFWSA-N 1 0 413.400 3.549 20 5 HHBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000484897513 997266367 /nfs/dbraw/zinc/26/63/67/997266367.db2.gz DXGLMVLYVWSGQZ-JSGCOSHPSA-N 1 0 400.353 3.584 20 5 HHBDRO COc1c(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000476726627 997275183 /nfs/dbraw/zinc/27/51/83/997275183.db2.gz ONKHLVTXNQYVKE-MRXNPFEDSA-N 1 0 411.380 3.655 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1SC ZINC000484917475 997291534 /nfs/dbraw/zinc/29/15/34/997291534.db2.gz OMUTYEJNSQVAAH-UHFFFAOYSA-N 1 0 415.515 3.851 20 5 HHBDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000484917445 997291888 /nfs/dbraw/zinc/29/18/88/997291888.db2.gz PINQNMMXFNEWIC-UHFFFAOYSA-N 1 0 402.520 3.558 20 5 HHBDRO CCOc1cc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000476794894 997344526 /nfs/dbraw/zinc/34/45/26/997344526.db2.gz NRCMIAHGRWUWNA-HOCLYGCPSA-N 1 0 408.499 3.586 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476981123 997601675 /nfs/dbraw/zinc/60/16/75/997601675.db2.gz NJYXNZDXYSJSSQ-XOBRGWDASA-N 1 0 420.872 3.608 20 5 HHBDRO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000485665266 998118900 /nfs/dbraw/zinc/11/89/00/998118900.db2.gz CETQCBNEJAEYTQ-GOSISDBHSA-N 1 0 411.506 3.820 20 5 HHBDRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000485707765 998173590 /nfs/dbraw/zinc/17/35/90/998173590.db2.gz YFYVFLRQQVHASH-INIZCTEOSA-N 1 0 403.504 3.636 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])c1 ZINC000485831264 998297736 /nfs/dbraw/zinc/29/77/36/998297736.db2.gz GNFTXXAAUSIDPM-RYUDHWBXSA-N 1 0 400.460 3.891 20 5 HHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000477629336 998347196 /nfs/dbraw/zinc/34/71/96/998347196.db2.gz SAOPZWNLMSFNMH-UHFFFAOYSA-N 1 0 402.882 3.556 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1SC ZINC000486118379 998566983 /nfs/dbraw/zinc/56/69/83/998566983.db2.gz JZHBCJZUUXUGFT-KFWWJZLASA-N 1 0 407.536 3.803 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000478034240 998725572 /nfs/dbraw/zinc/72/55/72/998725572.db2.gz GGWOSKGOOBGYTD-XMSQKQJNSA-N 1 0 414.550 3.677 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478056879 998740012 /nfs/dbraw/zinc/74/00/12/998740012.db2.gz YOHNZZMEYOYSFO-KRWDZBQOSA-N 1 0 418.538 3.518 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)c(F)c1 ZINC000478172778 998801382 /nfs/dbraw/zinc/80/13/82/998801382.db2.gz IIGNGCMIVWXXOU-ZDUSSCGKSA-N 1 0 402.344 3.573 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000486576939 998837210 /nfs/dbraw/zinc/83/72/10/998837210.db2.gz CWKFIPKIRYRBTQ-UHFFFAOYSA-N 1 0 423.498 3.582 20 5 HHBDRO COC(=O)c1cnc(NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000478253423 998847277 /nfs/dbraw/zinc/84/72/77/998847277.db2.gz GJKGNPPEILITFB-IYBDPMFKSA-N 1 0 412.490 3.866 20 5 HHBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000478297489 998871944 /nfs/dbraw/zinc/87/19/44/998871944.db2.gz OPHJBEYBPDTRAB-IRXDYDNUSA-N 1 0 411.506 3.577 20 5 HHBDRO COc1ccc(C[NH2+]Cc2ccnc3ccnn32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000478380802 998927606 /nfs/dbraw/zinc/92/76/06/998927606.db2.gz DKGQNKRZBMUOJX-UHFFFAOYSA-N 1 0 419.441 3.515 20 5 HHBDRO CC(C)c1nccn1Cc1cccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000486787012 998939695 /nfs/dbraw/zinc/93/96/95/998939695.db2.gz NXDNKGSVUJXQLA-UHFFFAOYSA-N 1 0 408.414 3.944 20 5 HHBDRO COc1cccc([C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2C)[NH+]2CCCC2)c1 ZINC000478450098 998966001 /nfs/dbraw/zinc/96/60/01/998966001.db2.gz AVTVODUGBUXTTO-NRFANRHFSA-N 1 0 412.490 3.548 20 5 HHBDRO CC(C)[NH+]1CCC(N2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)CC1 ZINC000487097168 999061679 /nfs/dbraw/zinc/06/16/79/999061679.db2.gz ZQDXLWYKAFJJDO-UHFFFAOYSA-N 1 0 404.555 3.767 20 5 HHBDRO Cc1c(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C ZINC000487155496 999082924 /nfs/dbraw/zinc/08/29/24/999082924.db2.gz INFLNZWTMRHVDX-UHFFFAOYSA-N 1 0 420.391 3.701 20 5 HHBDRO CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000487671776 999248751 /nfs/dbraw/zinc/24/87/51/999248751.db2.gz DBJHMLIAMCGKOA-YJBOKZPZSA-N 1 0 411.458 3.621 20 5 HHBDRO COc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)cc([N+](=O)[O-])c1C ZINC000479085702 999286586 /nfs/dbraw/zinc/28/65/86/999286586.db2.gz OXSZIRCOZWFEOA-UHFFFAOYSA-N 1 0 407.854 3.758 20 5 HHBDRO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000488011531 999347485 /nfs/dbraw/zinc/34/74/85/999347485.db2.gz RJESXMXMWKRLPI-UHFFFAOYSA-N 1 0 411.930 3.876 20 5 HHBDRO COc1cc(C[NH2+]CC2(OC)CCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000479429487 999412064 /nfs/dbraw/zinc/41/20/64/999412064.db2.gz ZOKYTIQHUAWHSR-UHFFFAOYSA-N 1 0 406.401 3.983 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)C1CC1 ZINC000479851264 999624901 /nfs/dbraw/zinc/62/49/01/999624901.db2.gz MPHWWAKPWWFJEX-AZUAARDMSA-N 1 0 401.532 3.641 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H](Oc4ncccc4F)C3)o2)c1 ZINC000489006193 999669922 /nfs/dbraw/zinc/66/99/22/999669922.db2.gz FBOXNMNHIWLKBD-KRWDZBQOSA-N 1 0 412.421 3.870 20 5 HHBDRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc([N+](=O)[O-])c1C ZINC000480010463 999684943 /nfs/dbraw/zinc/68/49/43/999684943.db2.gz DQNXKYDYELCDSA-AUUYWEPGSA-N 1 0 403.504 3.786 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)C1CC1 ZINC000480085487 999713091 /nfs/dbraw/zinc/71/30/91/999713091.db2.gz LPQDLOGDWSQEEV-FYYLOGMGSA-N 1 0 413.493 3.718 20 5 HHBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000489194373 999719906 /nfs/dbraw/zinc/71/99/06/999719906.db2.gz HSODUOKWCWMTAF-UHFFFAOYSA-N 1 0 405.458 3.937 20 5 HHBDRO COc1ccc(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000480317676 999769975 /nfs/dbraw/zinc/76/99/75/999769975.db2.gz HVPJQSIZLAXSOQ-LJQANCHMSA-N 1 0 416.478 3.815 20 5 HHBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000480508105 999814728 /nfs/dbraw/zinc/81/47/28/999814728.db2.gz DRBKJTMKRLNEMV-KRWDZBQOSA-N 1 0 419.913 3.861 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000490227092 999915485 /nfs/dbraw/zinc/91/54/85/999915485.db2.gz LCXVRGICRIDALA-WFXMLNOXSA-N 1 0 411.502 3.906 20 5 HHBDRO COc1cc(CN2CC[N@H+](C)CC23CCCCC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000490400923 999951646 /nfs/dbraw/zinc/95/16/46/999951646.db2.gz MQBZAJYANWJGHU-UHFFFAOYSA-N 1 0 413.465 3.698 20 5 HHBDRO C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490760565 1000002100 /nfs/dbraw/zinc/00/21/00/1000002100.db2.gz UKNDMDICMWDOIY-QUCCMNQESA-N 1 0 410.518 3.814 20 5 HHBDRO CCCOc1cc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])cc1OCCC ZINC000490790737 1000006542 /nfs/dbraw/zinc/00/65/42/1000006542.db2.gz FSXMTSOITRDYAT-CRAIPNDOSA-N 1 0 420.510 3.730 20 5 HHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c2ccccc2)c1 ZINC000491008016 1000033592 /nfs/dbraw/zinc/03/35/92/1000033592.db2.gz OZTGRODRRRIJJD-PGRDOPGGSA-N 1 0 414.408 3.992 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000491266395 1000060136 /nfs/dbraw/zinc/06/01/36/1000060136.db2.gz HALXLXIHJDBPMG-MRXNPFEDSA-N 1 0 423.579 3.508 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000491322898 1000065161 /nfs/dbraw/zinc/06/51/61/1000065161.db2.gz LQEDYMYZTOVWQW-XLIONFOSSA-N 1 0 408.502 3.932 20 5 HHBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)CCC(F)(F)F ZINC000491833230 1000096628 /nfs/dbraw/zinc/09/66/28/1000096628.db2.gz VLXRMQLDXDEWGP-UHFFFAOYSA-N 1 0 402.417 3.517 20 5 HHBDRO CCOc1cc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492516906 1000130611 /nfs/dbraw/zinc/13/06/11/1000130611.db2.gz WRMRRDAHIVQMCD-UHFFFAOYSA-N 1 0 401.438 3.983 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(c2ccccc2)C2CC[NH+](C)CC2)c1C ZINC000493309795 1000168234 /nfs/dbraw/zinc/16/82/34/1000168234.db2.gz HACSBCGHIHEUDP-UHFFFAOYSA-N 1 0 403.504 3.501 20 5 HHBDRO CCOc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)ccc1[N+](=O)[O-] ZINC000493570841 1000179606 /nfs/dbraw/zinc/17/96/06/1000179606.db2.gz CDRWXZKZDFVJMW-VGOFRKELSA-N 1 0 412.490 3.883 20 5 HHBDRO COc1cc(CNC2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493642706 1000182984 /nfs/dbraw/zinc/18/29/84/1000182984.db2.gz OOTCIIOYSIANAT-UHFFFAOYSA-N 1 0 413.465 3.744 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494029595 1000276286 /nfs/dbraw/zinc/27/62/86/1000276286.db2.gz QKNMVRCRBVIPMJ-HUUCEWRRSA-N 1 0 402.438 3.931 20 5 HHBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000504894631 1000433964 /nfs/dbraw/zinc/43/39/64/1000433964.db2.gz NFGRZDMNQZGHPJ-DZFGPLHGSA-N 1 0 413.518 3.527 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000504899203 1000435624 /nfs/dbraw/zinc/43/56/24/1000435624.db2.gz CEKTUYZXMMSFKK-OAHLLOKOSA-N 1 0 403.504 3.953 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000504911509 1000443630 /nfs/dbraw/zinc/44/36/30/1000443630.db2.gz HMZBKNOLRUBMAM-BTYIYWSLSA-N 1 0 413.474 3.962 20 5 HHBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494415432 1000481240 /nfs/dbraw/zinc/48/12/40/1000481240.db2.gz YNBQSRMNMFMSPH-OLZOCXBDSA-N 1 0 402.417 3.533 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCn4ccnc4C3)o2)c(Br)c1 ZINC000494446099 1000495961 /nfs/dbraw/zinc/49/59/61/1000495961.db2.gz TXYJOMJGDPGHNK-GFCCVEGCSA-N 1 0 417.263 3.918 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000494455848 1000501537 /nfs/dbraw/zinc/50/15/37/1000501537.db2.gz VROZWJPYUYMTRS-YLJYHZDGSA-N 1 0 419.865 3.705 20 5 HHBDRO O=C(CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000494477604 1000513626 /nfs/dbraw/zinc/51/36/26/1000513626.db2.gz SQABAFDERBKEEK-HKUYNNGSSA-N 1 0 407.829 3.836 20 5 HHBDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000494482696 1000516461 /nfs/dbraw/zinc/51/64/61/1000516461.db2.gz LSGLOTLQDAILME-UHFFFAOYSA-N 1 0 423.922 3.928 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000494484859 1000517723 /nfs/dbraw/zinc/51/77/23/1000517723.db2.gz KZGSZNPBQBWBME-KBXCAEBGSA-N 1 0 403.445 3.840 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494488959 1000519716 /nfs/dbraw/zinc/51/97/16/1000519716.db2.gz BPHRILIWRJUIED-YLJYHZDGSA-N 1 0 419.865 3.705 20 5 HHBDRO O=C(C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494498484 1000525238 /nfs/dbraw/zinc/52/52/38/1000525238.db2.gz WIJWJYKEZLACLG-CRAIPNDOSA-N 1 0 410.257 3.960 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000494499744 1000526102 /nfs/dbraw/zinc/52/61/02/1000526102.db2.gz AVUDBIZZOAPHKP-OEPMTFCVSA-N 1 0 419.865 3.704 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)cc2[N+](=O)[O-])C1 ZINC000505117204 1000558775 /nfs/dbraw/zinc/55/87/75/1000558775.db2.gz AJEZNFSOADAUPC-IYBDPMFKSA-N 1 0 420.473 3.910 20 5 HHBDRO COc1cc(C[NH2+]CCc2cc(F)cc(F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494631495 1000582071 /nfs/dbraw/zinc/58/20/71/1000582071.db2.gz JKSBAQYVLUVNEE-UHFFFAOYSA-N 1 0 402.344 3.858 20 5 HHBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000494731028 1000625478 /nfs/dbraw/zinc/62/54/78/1000625478.db2.gz XTVKLULYYIVOCL-CQSZACIVSA-N 1 0 416.444 3.925 20 5 HHBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505285190 1000670391 /nfs/dbraw/zinc/67/03/91/1000670391.db2.gz KTXYWUOTYRELFA-UHFFFAOYSA-N 1 0 411.506 3.509 20 5 HHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c2ccccc2)c1 ZINC000494969376 1000756882 /nfs/dbraw/zinc/75/68/82/1000756882.db2.gz MBPCARREFBOVJL-ISJGIBHGSA-N 1 0 417.509 3.909 20 5 HHBDRO C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@H+](C)Cc1ccccc1 ZINC000495002114 1000772362 /nfs/dbraw/zinc/77/23/62/1000772362.db2.gz VZMGEVGIESHBPQ-CQSZACIVSA-N 1 0 424.423 3.933 20 5 HHBDRO COc1cc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000495089691 1000831362 /nfs/dbraw/zinc/83/13/62/1000831362.db2.gz ODZIPTCUNXJRKG-NQIIRXRSSA-N 1 0 411.502 3.708 20 5 HHBDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000505499989 1000839004 /nfs/dbraw/zinc/83/90/04/1000839004.db2.gz GUZCRKIBXSKYEB-GOSISDBHSA-N 1 0 405.882 3.688 20 5 HHBDRO COc1ccc(C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C2CC2)cc1 ZINC000505570177 1000910964 /nfs/dbraw/zinc/91/09/64/1000910964.db2.gz FVEHWEGOHPCTQF-INIZCTEOSA-N 1 0 409.486 3.793 20 5 HHBDRO C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000505573270 1000913680 /nfs/dbraw/zinc/91/36/80/1000913680.db2.gz AZYDATLKKNOWIG-SJKOYZFVSA-N 1 0 406.280 3.779 20 5 HHBDRO COc1ccc2c(c1)CC[N@@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])CC2 ZINC000505587780 1000922821 /nfs/dbraw/zinc/92/28/21/1000922821.db2.gz ORJGZYNCDNCJKH-UHFFFAOYSA-N 1 0 422.428 3.857 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000505930417 1001108943 /nfs/dbraw/zinc/10/89/43/1001108943.db2.gz NWDPHJJGMKFUQL-SJORKVTESA-N 1 0 400.523 3.896 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000496226303 1001143715 /nfs/dbraw/zinc/14/37/15/1001143715.db2.gz YHZSWBBVQXSXMN-UHFFFAOYSA-N 1 0 420.579 3.530 20 5 HHBDRO Cc1cccc(C[NH+]2CCN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000506100082 1001219752 /nfs/dbraw/zinc/21/97/52/1001219752.db2.gz SRXDVPVYNMNHGK-UHFFFAOYSA-N 1 0 405.502 3.622 20 5 HHBDRO COc1cc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000496832294 1001235208 /nfs/dbraw/zinc/23/52/08/1001235208.db2.gz QMASOGALONGDPR-UHFFFAOYSA-N 1 0 417.893 3.995 20 5 HHBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506248780 1001305889 /nfs/dbraw/zinc/30/58/89/1001305889.db2.gz YJNPOSKDXBRJNN-NRFANRHFSA-N 1 0 419.485 3.500 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000506448587 1001417644 /nfs/dbraw/zinc/41/76/44/1001417644.db2.gz TVOCTCFJAIJGRY-FGTMMUONSA-N 1 0 418.538 3.517 20 5 HHBDRO COc1cc(CN2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000506460331 1001422881 /nfs/dbraw/zinc/42/28/81/1001422881.db2.gz NOAYWOGJEYRBEQ-UHFFFAOYSA-N 1 0 417.428 3.605 20 5 HHBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)CC1 ZINC000497637607 1001467952 /nfs/dbraw/zinc/46/79/52/1001467952.db2.gz UPHILOZBOOZCRM-UHFFFAOYSA-N 1 0 402.882 3.638 20 5 HHBDRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000506705272 1001499035 /nfs/dbraw/zinc/49/90/35/1001499035.db2.gz BJQXQPUSZMQVHN-HYXAFXHYSA-N 1 0 409.442 3.687 20 5 HHBDRO C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000497868892 1001543405 /nfs/dbraw/zinc/54/34/05/1001543405.db2.gz QEHJQUUZZIXZGZ-ZDUSSCGKSA-N 1 0 420.872 3.630 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)c1 ZINC000506887745 1001581139 /nfs/dbraw/zinc/58/11/39/1001581139.db2.gz YPTVNFLLOITFHY-KRWDZBQOSA-N 1 0 421.291 3.766 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000497985723 1001592012 /nfs/dbraw/zinc/59/20/12/1001592012.db2.gz WPKLWDQZSZWOFP-PKOBYXMFSA-N 1 0 417.531 3.749 20 5 HHBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498336999 1001783223 /nfs/dbraw/zinc/78/32/23/1001783223.db2.gz YKBFJACOBFZDBX-SFHVURJKSA-N 1 0 404.470 3.737 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000498466553 1001895281 /nfs/dbraw/zinc/89/52/81/1001895281.db2.gz CSTBJJUAMGUTHG-UHFFFAOYSA-N 1 0 420.897 3.690 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507240382 1001926175 /nfs/dbraw/zinc/92/61/75/1001926175.db2.gz ZEOHYHVBVHVSDM-FQEVSTJZSA-N 1 0 423.513 3.562 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(CC[NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000498639447 1002040934 /nfs/dbraw/zinc/04/09/34/1002040934.db2.gz SBJRXHNPBUBXMY-HDICACEKSA-N 1 0 416.566 3.881 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCNC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000507904587 1002439325 /nfs/dbraw/zinc/43/93/25/1002439325.db2.gz QJYKFXKVGGGFTO-UHFFFAOYSA-N 1 0 404.470 3.882 20 5 HHBDRO COc1cc(C[NH2+]CCc2ccccc2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000508059851 1002580627 /nfs/dbraw/zinc/58/06/27/1002580627.db2.gz DPRDGNCWSSMHQV-UHFFFAOYSA-N 1 0 400.353 3.582 20 5 HHBDRO CCOc1cc(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000508317912 1002823701 /nfs/dbraw/zinc/82/37/01/1002823701.db2.gz QWXIMJHHFWSWRU-UHFFFAOYSA-N 1 0 419.522 3.778 20 5 HHBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000508596868 1003055496 /nfs/dbraw/zinc/05/54/96/1003055496.db2.gz VPMOHHZUCNXKDL-LLVKDONJSA-N 1 0 409.236 3.612 20 5 HHBDRO COc1ccc(C[N@H+](C)CCc2cnccn2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508636730 1003086469 /nfs/dbraw/zinc/08/64/69/1003086469.db2.gz GHQUFCYOESALPL-UHFFFAOYSA-N 1 0 408.458 3.647 20 5 HHBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000500118512 1003480378 /nfs/dbraw/zinc/48/03/78/1003480378.db2.gz HKIAJTTWNGMTFC-UHFFFAOYSA-N 1 0 409.490 3.553 20 5 HHBDRO CC1(c2cccc(Br)c2)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000509053943 1003518593 /nfs/dbraw/zinc/51/85/93/1003518593.db2.gz JENSOJCULGJPQK-UHFFFAOYSA-N 1 0 420.307 3.573 20 5 HHBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000500386156 1003682241 /nfs/dbraw/zinc/68/22/41/1003682241.db2.gz MWSAWXDGLYKHMF-IBGZPJMESA-N 1 0 408.458 3.652 20 5 HHBDRO C[NH+]1CCC2(CCCN2C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000509295107 1003689385 /nfs/dbraw/zinc/68/93/85/1003689385.db2.gz RYCSFANNAQVIKT-UHFFFAOYSA-N 1 0 414.428 3.502 20 5 HHBDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C(C)C)cc1 ZINC000500397111 1003691842 /nfs/dbraw/zinc/69/18/42/1003691842.db2.gz BJWYWDPOPLIMFB-HXUWFJFHSA-N 1 0 415.490 3.512 20 5 HHBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000500759459 1003940946 /nfs/dbraw/zinc/94/09/46/1003940946.db2.gz YNHWLRRLHFAHLH-UHFFFAOYSA-N 1 0 408.458 3.515 20 5 HHBDRO COc1cc2c(cc1OC)CC[NH+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000512036133 1003971898 /nfs/dbraw/zinc/97/18/98/1003971898.db2.gz DTYZXYKNZLZKDH-UHFFFAOYSA-N 1 0 408.401 3.814 20 5 HHBDRO CCOc1cc(N(C)C[C@@H]2CCC[N@H+](CC)[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000509611078 1003978449 /nfs/dbraw/zinc/97/84/49/1003978449.db2.gz YXILXMJXBRFYJE-HRAATJIYSA-N 1 0 401.511 3.636 20 5 HHBDRO O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000512051428 1003983178 /nfs/dbraw/zinc/98/31/78/1003983178.db2.gz HJMDKYUSJNEGDH-UHFFFAOYSA-N 1 0 417.893 3.844 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccccc1 ZINC000501195621 1004270672 /nfs/dbraw/zinc/27/06/72/1004270672.db2.gz FJMHHHCBRGZUIG-GOSISDBHSA-N 1 0 400.479 3.678 20 5 HHBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000512403401 1004274302 /nfs/dbraw/zinc/27/43/02/1004274302.db2.gz LCAIMARTYMKFOZ-UHFFFAOYSA-N 1 0 408.483 3.675 20 5 HHBDRO C[C@@H]1C[C@H](CCNC(=O)CCNc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000510112940 1004332651 /nfs/dbraw/zinc/33/26/51/1004332651.db2.gz NAUACGUJSDBEBY-QUCCMNQESA-N 1 0 410.518 3.814 20 5 HHBDRO C[C@H]1C[C@H](CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[N@@H+]1Cc1ccccc1 ZINC000510129388 1004344697 /nfs/dbraw/zinc/34/46/97/1004344697.db2.gz NDPNLNXGMBBSOT-ICSRJNTNSA-N 1 0 420.513 3.966 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000512667925 1004477734 /nfs/dbraw/zinc/47/77/34/1004477734.db2.gz GXCINQJTKMBGRC-RTBURBONSA-N 1 0 412.534 3.845 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000512667848 1004477853 /nfs/dbraw/zinc/47/78/53/1004477853.db2.gz GXCINQJTKMBGRC-KDURUIRLSA-N 1 0 412.534 3.845 20 5 HHBDRO Cc1c(Br)cc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000512682129 1004489844 /nfs/dbraw/zinc/48/98/44/1004489844.db2.gz ZPTLIRZJXPENDX-UHFFFAOYSA-N 1 0 406.280 3.657 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512696702 1004500491 /nfs/dbraw/zinc/50/04/91/1004500491.db2.gz DUIMAELBEDMXCA-VHTFYLNKSA-N 1 0 421.545 3.537 20 5 HHBDRO C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512698206 1004502152 /nfs/dbraw/zinc/50/21/52/1004502152.db2.gz HKPHYCBODLPAEZ-QWHCGFSZSA-N 1 0 412.437 3.971 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(c3ccnn3CCO)CC2)s1 ZINC000512843063 1004604399 /nfs/dbraw/zinc/60/43/99/1004604399.db2.gz DWMFFADIQJASME-UHFFFAOYSA-N 1 0 412.515 3.892 20 5 HHBDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3c(F)cc([N+](=O)[O-])cc3F)CCN2C2CC2)c1 ZINC000510642120 1004773588 /nfs/dbraw/zinc/77/35/88/1004773588.db2.gz YTWYOXYHBMJEDK-SFTDATJTSA-N 1 0 403.429 3.949 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c2c(c1)COCO2 ZINC000513062474 1004786422 /nfs/dbraw/zinc/78/64/22/1004786422.db2.gz GIQPGLZVERFSNF-RBUKOAKNSA-N 1 0 406.385 3.829 20 5 HHBDRO O=C(CC[N@@H+]1CCC[C@H](OCc2ccccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501872970 1004789468 /nfs/dbraw/zinc/78/94/68/1004789468.db2.gz TXTBPORYGOKULI-KRWDZBQOSA-N 1 0 401.438 3.744 20 5 HHBDRO COC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000513157717 1004836924 /nfs/dbraw/zinc/83/69/24/1004836924.db2.gz DFCKJMDIAQNFDK-SFHVURJKSA-N 1 0 407.264 3.925 20 5 HHBDRO C[C@@H]1C[C@@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000513660706 1005070758 /nfs/dbraw/zinc/07/07/58/1005070758.db2.gz JYGGBBSTUKQVSO-NQSCKRDGSA-N 1 0 405.502 3.670 20 5 HHBDRO COC1CC[NH+](C2(CNC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CCCC2)CC1 ZINC000502433718 1005074595 /nfs/dbraw/zinc/07/45/95/1005074595.db2.gz WLXBJBTZZMDZBW-MRXNPFEDSA-N 1 0 421.563 3.615 20 5 HHBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000513699356 1005087883 /nfs/dbraw/zinc/08/78/83/1005087883.db2.gz MFGAVUZQQVICNW-OAHLLOKOSA-N 1 0 403.385 3.821 20 5 HHBDRO C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511251977 1005092280 /nfs/dbraw/zinc/09/22/80/1005092280.db2.gz RJGQJEOOOAQZAC-SJLPKXTDSA-N 1 0 400.523 3.922 20 5 HHBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513734542 1005101800 /nfs/dbraw/zinc/10/18/00/1005101800.db2.gz BCJHGYRPDIRJIO-UHFFFAOYSA-N 1 0 405.401 3.722 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502562127 1005119822 /nfs/dbraw/zinc/11/98/22/1005119822.db2.gz FZGQGJGUNMQHPR-OAQYLSRUSA-N 1 0 417.893 3.877 20 5 HHBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000502566678 1005121547 /nfs/dbraw/zinc/12/15/47/1005121547.db2.gz RZNPTLJGTGHTTO-CQSZACIVSA-N 1 0 415.412 3.626 20 5 HHBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000513786637 1005125979 /nfs/dbraw/zinc/12/59/79/1005125979.db2.gz KOKRGLUYICPYSS-RIFZZMRRSA-N 1 0 417.531 3.565 20 5 HHBDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000511476370 1005192748 /nfs/dbraw/zinc/19/27/48/1005192748.db2.gz HQZMSTONSMRNJX-CVEARBPZSA-N 1 0 417.531 3.686 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCCC23CCOCC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000502862447 1005248282 /nfs/dbraw/zinc/24/82/82/1005248282.db2.gz NGMOFDNMCQRJPC-QGZVFWFLSA-N 1 0 400.422 3.686 20 5 HHBDRO CCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502933936 1005281341 /nfs/dbraw/zinc/28/13/41/1005281341.db2.gz DOYRCCJSFXFYNP-KRWDZBQOSA-N 1 0 412.490 3.971 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514184904 1005302661 /nfs/dbraw/zinc/30/26/61/1005302661.db2.gz AAMGOLLETQMPKL-OAHLLOKOSA-N 1 0 419.428 3.933 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)n2)c1 ZINC000511760715 1005311504 /nfs/dbraw/zinc/31/15/04/1005311504.db2.gz HEGWTLHPXXAIPY-VAMGGRTRSA-N 1 0 406.442 3.649 20 5 HHBDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000511778317 1005322319 /nfs/dbraw/zinc/32/23/19/1005322319.db2.gz ZIHKJYOMCLRIFG-LMMKCTJWSA-N 1 0 415.877 3.691 20 5 HHBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000514248514 1005332551 /nfs/dbraw/zinc/33/25/51/1005332551.db2.gz RKHFDXQUQXMICB-QINHECLXSA-N 1 0 413.474 3.760 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)s1 ZINC000503084660 1005343422 /nfs/dbraw/zinc/34/34/22/1005343422.db2.gz LVOIBQWTRCKFMG-KRWDZBQOSA-N 1 0 401.532 3.868 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503426635 1005416905 /nfs/dbraw/zinc/41/69/05/1005416905.db2.gz ABKKUZBPOOXQLQ-KRWDZBQOSA-N 1 0 411.506 3.644 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000503461601 1005427537 /nfs/dbraw/zinc/42/75/37/1005427537.db2.gz MCUIDQWZAQUSBE-SFHVURJKSA-N 1 0 422.485 3.908 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000503495731 1005436838 /nfs/dbraw/zinc/43/68/38/1005436838.db2.gz GRCFJFSSXZVCOJ-GOSISDBHSA-N 1 0 422.485 3.908 20 5 HHBDRO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000503914390 1005511243 /nfs/dbraw/zinc/51/12/43/1005511243.db2.gz XVCZALSKDPXPIO-HNNXBMFYSA-N 1 0 406.504 3.532 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000503940605 1005516029 /nfs/dbraw/zinc/51/60/29/1005516029.db2.gz AZLAZVFIWJGGHZ-UTKZUKDTSA-N 1 0 420.469 3.505 20 5 HHBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000504018753 1005533498 /nfs/dbraw/zinc/53/34/98/1005533498.db2.gz FETRIQWHQIICAZ-AWEZNQCLSA-N 1 0 409.870 3.507 20 5 HHBDRO CC(C)[NH+](CCN(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(C)C ZINC000504180162 1005567793 /nfs/dbraw/zinc/56/77/93/1005567793.db2.gz CTLYNSYZMXRCRL-UHFFFAOYSA-N 1 0 405.417 3.727 20 5 HHBDRO CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000504407951 1005620847 /nfs/dbraw/zinc/62/08/47/1005620847.db2.gz JROFEVSTAUDOCX-KRWDZBQOSA-N 1 0 411.506 3.564 20 5 HHBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000514572981 1006042271 /nfs/dbraw/zinc/04/22/71/1006042271.db2.gz CXUVVUVAVMIVFP-HNNXBMFYSA-N 1 0 423.391 3.540 20 5 HHBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000534135074 1006114669 /nfs/dbraw/zinc/11/46/69/1006114669.db2.gz FZEXDNPCTPCGFH-UHFFFAOYSA-N 1 0 418.906 3.899 20 5 HHBDRO CC(C)Cc1ccc([C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[NH+](C)C)cc1 ZINC000514984359 1006238224 /nfs/dbraw/zinc/23/82/24/1006238224.db2.gz HZSZJBDRKJTZNF-LJQANCHMSA-N 1 0 413.474 3.555 20 5 HHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000534260268 1006270266 /nfs/dbraw/zinc/27/02/66/1006270266.db2.gz ARGUMKPEJYEVRD-UHFFFAOYSA-N 1 0 402.470 3.916 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000531556462 1006272357 /nfs/dbraw/zinc/27/23/57/1006272357.db2.gz QBDOYRIBTMTFKK-UZLBHIALSA-N 1 0 411.502 3.755 20 5 HHBDRO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534359496 1006323086 /nfs/dbraw/zinc/32/30/86/1006323086.db2.gz JTXREKIRQMOTHX-UXHICEINSA-N 1 0 422.957 3.657 20 5 HHBDRO COc1cc(C[NH2+]CCc2nc(C)c(C)s2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000531661001 1006337478 /nfs/dbraw/zinc/33/74/78/1006337478.db2.gz FTRTUYWWPIHPCT-UHFFFAOYSA-N 1 0 419.425 3.950 20 5 HHBDRO Cc1ccc([C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000531706392 1006367878 /nfs/dbraw/zinc/36/78/78/1006367878.db2.gz QTFCDEKJLIBXRC-KXBFYZLASA-N 1 0 400.479 3.640 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531811185 1006444367 /nfs/dbraw/zinc/44/43/67/1006444367.db2.gz NVKKNGCQXZYTOX-IIBYNOLFSA-N 1 0 411.502 3.755 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531818511 1006448634 /nfs/dbraw/zinc/44/86/34/1006448634.db2.gz WLCSHDHUPSYPSG-GOSISDBHSA-N 1 0 408.458 3.553 20 5 HHBDRO C[C@H](C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000515493606 1006499128 /nfs/dbraw/zinc/49/91/28/1006499128.db2.gz SDYKJFSDFIMTFI-KSZLIROESA-N 1 0 411.502 3.624 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000538425767 1006692254 /nfs/dbraw/zinc/69/22/54/1006692254.db2.gz AKMWEZMACVHGAY-RBUKOAKNSA-N 1 0 403.523 3.785 20 5 HHBDRO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000538427140 1006693246 /nfs/dbraw/zinc/69/32/46/1006693246.db2.gz XSBCQSZWMOVRPW-UHFFFAOYSA-N 1 0 402.458 3.742 20 5 HHBDRO O=c1[nH]c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc2ccc([N+](=O)[O-])cc21 ZINC000515817311 1006696446 /nfs/dbraw/zinc/69/64/46/1006696446.db2.gz MKEPZQHBTDXUAM-ALOPSCKCSA-N 1 0 405.458 3.851 20 5 HHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000532187463 1006706544 /nfs/dbraw/zinc/70/65/44/1006706544.db2.gz SMIIOIIJNMJQPS-PXNSSMCTSA-N 1 0 402.564 3.556 20 5 HHBDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000516048136 1006853543 /nfs/dbraw/zinc/85/35/43/1006853543.db2.gz XMDMYPKPLXASJY-QGZVFWFLSA-N 1 0 424.501 3.643 20 5 HHBDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534847195 1006866832 /nfs/dbraw/zinc/86/68/32/1006866832.db2.gz FNTWGVJMVQNWIL-RDJZCZTQSA-N 1 0 400.479 3.767 20 5 HHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000532545889 1006978237 /nfs/dbraw/zinc/97/82/37/1006978237.db2.gz ZSTPFCLSCUFKCX-GOSISDBHSA-N 1 0 410.518 3.766 20 5 HHBDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(-c3ccc(OC)cc3[N+](=O)[O-])o1)CC2 ZINC000538727578 1007006245 /nfs/dbraw/zinc/00/62/45/1007006245.db2.gz CQARESQERGLPIT-KRWDZBQOSA-N 1 0 400.431 3.639 20 5 HHBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000516316720 1007011191 /nfs/dbraw/zinc/01/11/91/1007011191.db2.gz FIDOWSAMRLBDTG-IBGZPJMESA-N 1 0 417.893 3.970 20 5 HHBDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000538731004 1007012082 /nfs/dbraw/zinc/01/20/82/1007012082.db2.gz NEFZDOSQKABSOT-UHFFFAOYSA-N 1 0 423.560 3.569 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000534972040 1007029032 /nfs/dbraw/zinc/02/90/32/1007029032.db2.gz QJEHQWAJXNELSM-SCLBCKFNSA-N 1 0 406.845 3.591 20 5 HHBDRO COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000534991941 1007052061 /nfs/dbraw/zinc/05/20/61/1007052061.db2.gz FYNKEXJYXHADOR-UHFFFAOYSA-N 1 0 417.487 3.564 20 5 HHBDRO COc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CCCCC2)cc1OC ZINC000538785971 1007068033 /nfs/dbraw/zinc/06/80/33/1007068033.db2.gz VAZZBUZXYICSRB-UHFFFAOYSA-N 1 0 415.490 3.609 20 5 HHBDRO O=C(C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1)N(Cc1ccccc1)C1CC1 ZINC000532732816 1007143372 /nfs/dbraw/zinc/14/33/72/1007143372.db2.gz SDBZMANOXHOOGO-UHFFFAOYSA-N 1 0 423.513 3.877 20 5 HHBDRO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000532763036 1007167569 /nfs/dbraw/zinc/16/75/69/1007167569.db2.gz ANPDHKQEGFVNLA-PKOBYXMFSA-N 1 0 407.470 3.724 20 5 HHBDRO COc1cc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000516686321 1007232817 /nfs/dbraw/zinc/23/28/17/1007232817.db2.gz VFQGIITUSNLDLU-UKRRQHHQSA-N 1 0 417.428 3.603 20 5 HHBDRO CC(C)(C)OC(=O)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532942005 1007313011 /nfs/dbraw/zinc/31/30/11/1007313011.db2.gz QKLLTOBIRRDTDK-UHFFFAOYSA-N 1 0 401.463 3.846 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000539021164 1007318140 /nfs/dbraw/zinc/31/81/40/1007318140.db2.gz UQCZAWCRPVFECR-MRXNPFEDSA-N 1 0 403.504 3.539 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000532950467 1007319761 /nfs/dbraw/zinc/31/97/61/1007319761.db2.gz MEPCZPPWVXLBAM-GOSISDBHSA-N 1 0 418.538 3.520 20 5 HHBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000532954752 1007321907 /nfs/dbraw/zinc/32/19/07/1007321907.db2.gz YOSRSPJQDPEYKS-DENIHFKCSA-N 1 0 408.502 3.753 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000539049337 1007346548 /nfs/dbraw/zinc/34/65/48/1007346548.db2.gz OSABHDDYWSCHIQ-FHERZECASA-N 1 0 405.495 3.802 20 5 HHBDRO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000539053794 1007349173 /nfs/dbraw/zinc/34/91/73/1007349173.db2.gz HAASIVHQIIIFDL-ROUUACIJSA-N 1 0 407.470 3.724 20 5 HHBDRO Cc1ccc([C@@H]2CSCC[N@@H+]2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 ZINC000532979361 1007350564 /nfs/dbraw/zinc/35/05/64/1007350564.db2.gz DKRNJSLFGBQXRS-IBGZPJMESA-N 1 0 413.499 3.991 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000539072250 1007364554 /nfs/dbraw/zinc/36/45/54/1007364554.db2.gz OSLUBKMCBPDKQZ-CQSZACIVSA-N 1 0 411.487 3.663 20 5 HHBDRO CCC[C@H]([NH2+][C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000539086502 1007375883 /nfs/dbraw/zinc/37/58/83/1007375883.db2.gz JGRFTSKKMZFHLC-SFTDATJTSA-N 1 0 413.474 3.848 20 5 HHBDRO COc1ccc(CC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000533115136 1007461216 /nfs/dbraw/zinc/46/12/16/1007461216.db2.gz KAGCGAMALDSCLP-YLJYHZDGSA-N 1 0 411.502 3.563 20 5 HHBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000539251226 1007542995 /nfs/dbraw/zinc/54/29/95/1007542995.db2.gz LNNUCGMUJTZANQ-AWEZNQCLSA-N 1 0 409.389 3.884 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000539279995 1007576249 /nfs/dbraw/zinc/57/62/49/1007576249.db2.gz NMUCQIDYCGMZAR-JTQLQIEISA-N 1 0 407.352 3.779 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000539279755 1007576343 /nfs/dbraw/zinc/57/63/43/1007576343.db2.gz AFRWZLMWMVFVLV-UHFFFAOYSA-N 1 0 404.264 3.883 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000533263583 1007579975 /nfs/dbraw/zinc/57/99/75/1007579975.db2.gz DXNJEKQBVUGYDY-LJQANCHMSA-N 1 0 411.458 3.840 20 5 HHBDRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000539288170 1007584395 /nfs/dbraw/zinc/58/43/95/1007584395.db2.gz CNLNERBLZUFJCM-LBPRGKRZSA-N 1 0 407.854 3.863 20 5 HHBDRO CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000533269909 1007584989 /nfs/dbraw/zinc/58/49/89/1007584989.db2.gz BTCSSSLRVHQYHP-GHTZIAJQSA-N 1 0 410.518 3.999 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000533293667 1007608346 /nfs/dbraw/zinc/60/83/46/1007608346.db2.gz ZANNZMQJLJXCQX-QGZVFWFLSA-N 1 0 407.474 3.741 20 5 HHBDRO O=C(C[NH2+]C1(c2cccc(Cl)c2)CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000539324726 1007622497 /nfs/dbraw/zinc/62/24/97/1007622497.db2.gz JRWODVDEQUFQNK-UHFFFAOYSA-N 1 0 417.849 3.975 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535672628 1007692901 /nfs/dbraw/zinc/69/29/01/1007692901.db2.gz WXCXRUNTYKTWOY-YWZLYKJASA-N 1 0 405.857 3.739 20 5 HHBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000533418522 1007727131 /nfs/dbraw/zinc/72/71/31/1007727131.db2.gz HNEBZVWJDVKRFF-HNNXBMFYSA-N 1 0 401.463 3.504 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533479476 1007785942 /nfs/dbraw/zinc/78/59/42/1007785942.db2.gz RXENKUBNMZOYEZ-UHFFFAOYSA-N 1 0 405.458 3.897 20 5 HHBDRO CSCC[C@H](CO)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539523090 1007831723 /nfs/dbraw/zinc/83/17/23/1007831723.db2.gz WFOBTLYGNBKABE-GOSISDBHSA-N 1 0 412.515 3.651 20 5 HHBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000517699105 1007912395 /nfs/dbraw/zinc/91/23/95/1007912395.db2.gz DEMMKZPBEPNEIB-UHFFFAOYSA-N 1 0 403.504 3.574 20 5 HHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000539686989 1008006885 /nfs/dbraw/zinc/00/68/85/1008006885.db2.gz PXGZABWASBTOEG-KFKAGJAMSA-N 1 0 421.563 3.811 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)cc2[N+](=O)[O-])C1 ZINC000535986520 1008025497 /nfs/dbraw/zinc/02/54/97/1008025497.db2.gz PGSKZYLABPGHOA-YLJYHZDGSA-N 1 0 414.550 3.635 20 5 HHBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000517882152 1008027076 /nfs/dbraw/zinc/02/70/76/1008027076.db2.gz KVYYEHSUAIBHLE-UHFFFAOYSA-N 1 0 419.481 3.861 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCN([C@@H](C)c3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000539882860 1008160300 /nfs/dbraw/zinc/16/03/00/1008160300.db2.gz DSLGFLGUMKJIEM-KRWDZBQOSA-N 1 0 414.481 3.750 20 5 HHBDRO COc1cc(C[N@H+](C)C[C@H]2CCC[C@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539893371 1008168159 /nfs/dbraw/zinc/16/81/59/1008168159.db2.gz XGUWDTLTWIQPIJ-UYAOXDASSA-N 1 0 400.475 3.775 20 5 HHBDRO Cn1cc(C[NH2+]Cc2ccc(Cn3cccn3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539956980 1008205128 /nfs/dbraw/zinc/20/51/28/1008205128.db2.gz BROUPEJVTTZZRT-UHFFFAOYSA-N 1 0 402.458 3.530 20 5 HHBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000533959315 1008234186 /nfs/dbraw/zinc/23/41/86/1008234186.db2.gz DOKGHISODYNFQS-UHFFFAOYSA-N 1 0 410.518 3.691 20 5 HHBDRO CCCCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000518419808 1008297973 /nfs/dbraw/zinc/29/79/73/1008297973.db2.gz UIESIBZFUPPKGL-UHFFFAOYSA-N 1 0 407.559 3.736 20 5 HHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000540154404 1008314139 /nfs/dbraw/zinc/31/41/39/1008314139.db2.gz ZBDURCWJFOVFPU-KRWDZBQOSA-N 1 0 417.531 3.663 20 5 HHBDRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000540169065 1008320359 /nfs/dbraw/zinc/32/03/59/1008320359.db2.gz OLYMTPGMGHTKCR-OAHLLOKOSA-N 1 0 405.882 3.654 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000540182463 1008326298 /nfs/dbraw/zinc/32/62/98/1008326298.db2.gz PXEKUFZINGOFJM-ZDUSSCGKSA-N 1 0 406.280 3.746 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000540318742 1008377523 /nfs/dbraw/zinc/37/75/23/1008377523.db2.gz GYXSGLHVHMAXLN-GFCCVEGCSA-N 1 0 409.389 3.884 20 5 HHBDRO COc1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(OC)c1OC ZINC000540326114 1008380873 /nfs/dbraw/zinc/38/08/73/1008380873.db2.gz XELJVORIEHXIJW-CQSZACIVSA-N 1 0 417.462 3.608 20 5 HHBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 ZINC000540326787 1008381126 /nfs/dbraw/zinc/38/11/26/1008381126.db2.gz RZGIHGKXAOVLRO-HNNXBMFYSA-N 1 0 406.442 3.519 20 5 HHBDRO C[C@@H]1CCC[C@](CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000518782352 1008418861 /nfs/dbraw/zinc/41/88/61/1008418861.db2.gz SFCNSECBAJLZFE-ACJLOTCBSA-N 1 0 417.428 3.776 20 5 HHBDRO COc1cccc2sc(NC(=O)C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc21 ZINC000540476301 1008447019 /nfs/dbraw/zinc/44/70/19/1008447019.db2.gz CVTKBULTCCHPMB-GFCCVEGCSA-N 1 0 400.460 3.811 20 5 HHBDRO CN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000540517166 1008464054 /nfs/dbraw/zinc/46/40/54/1008464054.db2.gz LAAJJUWBVQVANI-UHFFFAOYSA-N 1 0 404.898 3.884 20 5 HHBDRO COc1ccc(NC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000542964652 1008536978 /nfs/dbraw/zinc/53/69/78/1008536978.db2.gz KVSXFNWGVBYKTC-HOTGVXAUSA-N 1 0 412.490 3.882 20 5 HHBDRO Cc1cc(NC2CCN(C(=O)CCc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543030658 1008614216 /nfs/dbraw/zinc/61/42/16/1008614216.db2.gz WJBHGHFHSRFDLJ-UHFFFAOYSA-N 1 0 418.497 3.909 20 5 HHBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000549105662 1008670077 /nfs/dbraw/zinc/67/00/77/1008670077.db2.gz FANFWTPERJIGHX-FXAWDEMLSA-N 1 0 416.547 3.923 20 5 HHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000545647630 1008742717 /nfs/dbraw/zinc/74/27/17/1008742717.db2.gz NDSQJQSDDOKSIV-PEZBUJJGSA-N 1 0 420.473 3.742 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000543173803 1008748645 /nfs/dbraw/zinc/74/86/45/1008748645.db2.gz YKOZQDOFBVCGMM-UHFFFAOYSA-N 1 0 412.490 3.589 20 5 HHBDRO C[C@H](c1nc(-c2cccc(OCC[NH+](C)C)c2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000545675199 1008766837 /nfs/dbraw/zinc/76/68/37/1008766837.db2.gz QVULYFUKMZUGHW-ZDUSSCGKSA-N 1 0 400.410 3.876 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000543208096 1008778822 /nfs/dbraw/zinc/77/88/22/1008778822.db2.gz GSYKXEDUTCJSOA-FQEVSTJZSA-N 1 0 412.486 3.714 20 5 HHBDRO CCc1ccc([C@H]([NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000549229548 1008799802 /nfs/dbraw/zinc/79/98/02/1008799802.db2.gz XZMQVDUEQSBYAQ-YHYVQYDKSA-N 1 0 414.502 3.997 20 5 HHBDRO CC(C)(CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000545862105 1008949299 /nfs/dbraw/zinc/94/92/99/1008949299.db2.gz XTADFGGEDNXTBV-UHFFFAOYSA-N 1 0 413.493 3.965 20 5 HHBDRO Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000549401716 1008987861 /nfs/dbraw/zinc/98/78/61/1008987861.db2.gz WGSJGFVBLIWGKE-UHFFFAOYSA-N 1 0 407.474 3.836 20 5 HHBDRO CCc1ccc([C@@H](NC2CC[NH+](CCCOC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543401121 1008993175 /nfs/dbraw/zinc/99/31/75/1008993175.db2.gz IVLNYFDYYNLJPW-QFIPXVFZSA-N 1 0 401.507 3.930 20 5 HHBDRO C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000519844513 1009027221 /nfs/dbraw/zinc/02/72/21/1009027221.db2.gz XHDWINMHGXUSPT-MHECFPHRSA-N 1 0 403.482 3.835 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c(C)c2)CC1 ZINC000543440774 1009027769 /nfs/dbraw/zinc/02/77/69/1009027769.db2.gz KZOYKXXLVXMTPM-INIZCTEOSA-N 1 0 414.481 3.926 20 5 HHBDRO C[C@@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543525072 1009115992 /nfs/dbraw/zinc/11/59/92/1009115992.db2.gz UUSILWJWSUTGRJ-MRXNPFEDSA-N 1 0 411.477 3.887 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543560578 1009167693 /nfs/dbraw/zinc/16/76/93/1009167693.db2.gz IWSMONSGTWWLGM-FXAWDEMLSA-N 1 0 401.438 3.833 20 5 HHBDRO CC[NH+](CC)CC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000520163327 1009311849 /nfs/dbraw/zinc/31/18/49/1009311849.db2.gz MFWMXTDOMWXCBT-UHFFFAOYSA-N 1 0 405.542 3.735 20 5 HHBDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000520205312 1009340633 /nfs/dbraw/zinc/34/06/33/1009340633.db2.gz IODLSWQTGZQJBK-GFCCVEGCSA-N 1 0 422.279 3.718 20 5 HHBDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000520205313 1009340803 /nfs/dbraw/zinc/34/08/03/1009340803.db2.gz IODLSWQTGZQJBK-LBPRGKRZSA-N 1 0 422.279 3.718 20 5 HHBDRO COc1c(C)cnc(C[NH+]2CCC(N(C)c3nc(C)cc(C)c3[N+](=O)[O-])CC2)c1C ZINC000543792675 1009360341 /nfs/dbraw/zinc/36/03/41/1009360341.db2.gz TWTVNYTYTKVDIE-UHFFFAOYSA-N 1 0 413.522 3.728 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000543824303 1009384983 /nfs/dbraw/zinc/38/49/83/1009384983.db2.gz ZHJSXARBYWLGDJ-OAHLLOKOSA-N 1 0 413.808 3.882 20 5 HHBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000546527082 1009548974 /nfs/dbraw/zinc/54/89/74/1009548974.db2.gz PLERRSNEQKGSJY-UHFFFAOYSA-N 1 0 414.481 3.710 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000544128540 1009737736 /nfs/dbraw/zinc/73/77/36/1009737736.db2.gz UJNSYEBLJROIHR-MRXNPFEDSA-N 1 0 412.490 3.628 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000550222648 1009786840 /nfs/dbraw/zinc/78/68/40/1009786840.db2.gz WRRMGYFNXRPIHD-CYBMUJFWSA-N 1 0 412.328 3.908 20 5 HHBDRO CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546889706 1009849416 /nfs/dbraw/zinc/84/94/16/1009849416.db2.gz NEOUXWSRPOMCMD-HXUWFJFHSA-N 1 0 408.502 3.906 20 5 HHBDRO C[C@H](CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000520859889 1009915003 /nfs/dbraw/zinc/91/50/03/1009915003.db2.gz JJPLKDRXNHPANG-ZWKOTPCHSA-N 1 0 402.539 3.681 20 5 HHBDRO NC(=O)c1ccc(C[NH+]2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000550455343 1009953767 /nfs/dbraw/zinc/95/37/67/1009953767.db2.gz IWEPFJJSVHYSKY-UHFFFAOYSA-N 1 0 423.391 3.972 20 5 HHBDRO C[NH+](C)CCOCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000544346131 1009971247 /nfs/dbraw/zinc/97/12/47/1009971247.db2.gz JPYYPVAQZZQPSG-UHFFFAOYSA-N 1 0 423.922 3.707 20 5 HHBDRO COCCN1CC[C@H]([NH2+]Cc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 ZINC000544365658 1009993180 /nfs/dbraw/zinc/99/31/80/1009993180.db2.gz OFXDZLOOMWCQQP-HNNXBMFYSA-N 1 0 423.872 3.990 20 5 HHBDRO CCc1ccc([C@@H]([NH2+]C[C@@H](C(C)C)N2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544367892 1009995850 /nfs/dbraw/zinc/99/58/50/1009995850.db2.gz JRFYYGRBFKAQBC-UNMCSNQZSA-N 1 0 401.507 3.786 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]CCOc3ccc4c(c3)OCO4)o2)c([N+](=O)[O-])c1 ZINC000520949515 1010001082 /nfs/dbraw/zinc/00/10/82/1010001082.db2.gz FCNLGWLQPKQRHR-UHFFFAOYSA-N 1 0 412.398 3.761 20 5 HHBDRO C[C@@H]([NH2+]C1(CNc2ncnc3cccc([N+](=O)[O-])c32)CCOCC1)c1ccccc1 ZINC000544395223 1010016316 /nfs/dbraw/zinc/01/63/16/1010016316.db2.gz UBEMLCXLHMBJLL-MRXNPFEDSA-N 1 0 407.474 3.850 20 5 HHBDRO CC[NH+]1CCN(c2ccc(-c3noc(-c4ccc(Cl)cc4[N+](=O)[O-])n3)cn2)CC1 ZINC000547098712 1010048714 /nfs/dbraw/zinc/04/87/14/1010048714.db2.gz SLMHEAVEVLGQCR-UHFFFAOYSA-N 1 0 414.853 3.502 20 5 HHBDRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)oc21 ZINC000544484586 1010108255 /nfs/dbraw/zinc/10/82/55/1010108255.db2.gz OBQVYZXRGIBDBD-AWEZNQCLSA-N 1 0 409.442 3.980 20 5 HHBDRO C[NH+](C)CCOc1cc(-c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)ccn1 ZINC000547194516 1010138532 /nfs/dbraw/zinc/13/85/32/1010138532.db2.gz CGDFMVZNSCOLFW-UHFFFAOYSA-N 1 0 423.351 3.666 20 5 HHBDRO COc1ccc([C@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)cc1 ZINC000544532586 1010161450 /nfs/dbraw/zinc/16/14/50/1010161450.db2.gz LCVFZYVPBZHUNU-BTYIYWSLSA-N 1 0 415.465 3.799 20 5 HHBDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544574015 1010203253 /nfs/dbraw/zinc/20/32/53/1010203253.db2.gz GJEOBBOGVUXAQT-ZDUSSCGKSA-N 1 0 416.421 3.608 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000521179459 1010212764 /nfs/dbraw/zinc/21/27/64/1010212764.db2.gz POFPERGMSMDJJM-KRWDZBQOSA-N 1 0 412.490 3.623 20 5 HHBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000544608990 1010235522 /nfs/dbraw/zinc/23/55/22/1010235522.db2.gz ILYGIVMCPYBJBN-MRXNPFEDSA-N 1 0 414.481 3.614 20 5 HHBDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000544677275 1010292660 /nfs/dbraw/zinc/29/26/60/1010292660.db2.gz CFYPVHVRKRXYMK-GOSISDBHSA-N 1 0 404.442 3.565 20 5 HHBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000521385895 1010349128 /nfs/dbraw/zinc/34/91/28/1010349128.db2.gz JEBMYBFOGZCJSA-GJZGRUSLSA-N 1 0 405.882 3.825 20 5 HHBDRO CC[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000544767543 1010366183 /nfs/dbraw/zinc/36/61/83/1010366183.db2.gz SWBOIRDHLMGWLZ-KRWDZBQOSA-N 1 0 420.469 3.585 20 5 HHBDRO CCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544873927 1010454431 /nfs/dbraw/zinc/45/44/31/1010454431.db2.gz UBRGOIOHQAVVBT-SFHVURJKSA-N 1 0 420.469 3.585 20 5 HHBDRO COc1ccc(CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(Cl)c1OC ZINC000551239614 1010458586 /nfs/dbraw/zinc/45/85/86/1010458586.db2.gz XHVPYVOBGBFCEZ-ZDUSSCGKSA-N 1 0 421.881 3.815 20 5 HHBDRO COc1ccc(CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(Cl)c1OC ZINC000551239613 1010458774 /nfs/dbraw/zinc/45/87/74/1010458774.db2.gz XHVPYVOBGBFCEZ-CYBMUJFWSA-N 1 0 421.881 3.815 20 5 HHBDRO C[C@@H](c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000544965017 1010524408 /nfs/dbraw/zinc/52/44/08/1010524408.db2.gz PLZNNCZQTXDOFD-CQSZACIVSA-N 1 0 411.437 3.688 20 5 HHBDRO C[C@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000521779991 1010613247 /nfs/dbraw/zinc/61/32/47/1010613247.db2.gz MVAIJJJLFIIHGQ-KRWDZBQOSA-N 1 0 418.538 3.769 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1SC ZINC000521957473 1010735495 /nfs/dbraw/zinc/73/54/95/1010735495.db2.gz KDDSTYUNTAPBEG-AWEZNQCLSA-N 1 0 403.504 3.576 20 5 HHBDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548825331 1010738817 /nfs/dbraw/zinc/73/88/17/1010738817.db2.gz OSQZZGATZRLHFM-CYBMUJFWSA-N 1 0 406.280 3.907 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000522016513 1010757648 /nfs/dbraw/zinc/75/76/48/1010757648.db2.gz LZGBUBJFMLWSIC-NRFANRHFSA-N 1 0 413.474 3.569 20 5 HHBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000522243809 1010885031 /nfs/dbraw/zinc/88/50/31/1010885031.db2.gz LEPRUWZJKFKRPU-IBGZPJMESA-N 1 0 407.392 3.666 20 5 HHBDRO Cc1ccc(C[C@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccn2)cc1 ZINC000522380050 1010969240 /nfs/dbraw/zinc/96/92/40/1010969240.db2.gz XJPNSPRWWWRUCU-GOTSBHOMSA-N 1 0 416.481 3.977 20 5 HHBDRO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000522546609 1011073067 /nfs/dbraw/zinc/07/30/67/1011073067.db2.gz WHKTWIGLNKCXMS-LRDDRELGSA-N 1 0 418.460 3.897 20 5 HHBDRO COCCn1ccc2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cc21 ZINC000536150211 1011274468 /nfs/dbraw/zinc/27/44/68/1011274468.db2.gz KKLQYRPDILETRB-UHFFFAOYSA-N 1 0 405.414 3.634 20 5 HHBDRO Cc1cc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000522872384 1011316245 /nfs/dbraw/zinc/31/62/45/1011316245.db2.gz TXFNGNUOFCNWTK-UHFFFAOYSA-N 1 0 417.893 3.830 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000536206779 1011352385 /nfs/dbraw/zinc/35/23/85/1011352385.db2.gz UMMGRWXEQIBXRW-LPHOPBHVSA-N 1 0 402.520 3.581 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000536263244 1011430723 /nfs/dbraw/zinc/43/07/23/1011430723.db2.gz KBVGZNQQLKSTFY-WBVHZDCISA-N 1 0 404.264 3.533 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nnc5ccccn54)C3)co2)cc1 ZINC000536348688 1011553815 /nfs/dbraw/zinc/55/38/15/1011553815.db2.gz NJUOAVALRNOPSI-INIZCTEOSA-N 1 0 404.430 3.672 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000541026787 1011661858 /nfs/dbraw/zinc/66/18/58/1011661858.db2.gz GEHBWVHUFFWSOL-HNNXBMFYSA-N 1 0 423.473 3.777 20 5 HHBDRO CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541027796 1011663584 /nfs/dbraw/zinc/66/35/84/1011663584.db2.gz DEHSIFSREIQKHD-MRXNPFEDSA-N 1 0 405.401 3.543 20 5 HHBDRO Cc1c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000536451099 1011668966 /nfs/dbraw/zinc/66/89/66/1011668966.db2.gz VUTDDSWMQBWISS-SFTDATJTSA-N 1 0 417.554 3.704 20 5 HHBDRO COc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000541103436 1011750498 /nfs/dbraw/zinc/75/04/98/1011750498.db2.gz YMRLQPBNOOTVSP-ACJLOTCBSA-N 1 0 404.492 3.870 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000536593962 1011756827 /nfs/dbraw/zinc/75/68/27/1011756827.db2.gz VEWFXAAIWWAGAT-UHFFFAOYSA-N 1 0 419.522 3.586 20 5 HHBDRO COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000536678873 1011840999 /nfs/dbraw/zinc/84/09/99/1011840999.db2.gz NVCOXHHOAXGATE-INIZCTEOSA-N 1 0 414.458 3.579 20 5 HHBDRO CC[N@H+](CCC1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1)CC1CC1 ZINC000536736925 1011916269 /nfs/dbraw/zinc/91/62/69/1011916269.db2.gz HOJSMQBSRJZEKT-UHFFFAOYSA-N 1 0 402.539 3.676 20 5 HHBDRO CC[N@H+](CCC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1)CC1CC1 ZINC000536738256 1011920119 /nfs/dbraw/zinc/92/01/19/1011920119.db2.gz NMCQBLTYZKGVLQ-UHFFFAOYSA-N 1 0 413.522 3.979 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000541278487 1011971433 /nfs/dbraw/zinc/97/14/33/1011971433.db2.gz PVEMSQJFVVVQAK-QFIPXVFZSA-N 1 0 410.495 3.942 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000541282385 1011975525 /nfs/dbraw/zinc/97/55/25/1011975525.db2.gz VKYPVBHRIBJWKJ-HNNXBMFYSA-N 1 0 406.866 3.531 20 5 HHBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000523496579 1012017071 /nfs/dbraw/zinc/01/70/71/1012017071.db2.gz BSDFHRAXIMUNBA-UHFFFAOYSA-N 1 0 413.543 3.896 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H]3CCS(=O)(=O)[C@H]3C)cc2[N+](=O)[O-])cc1 ZINC000552083445 1012099124 /nfs/dbraw/zinc/09/91/24/1012099124.db2.gz FIXPSTGBNKNLRU-YOEHRIQHSA-N 1 0 406.529 3.720 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000536872544 1012112343 /nfs/dbraw/zinc/11/23/43/1012112343.db2.gz UOUGVHFSIAMTNT-ZDUSSCGKSA-N 1 0 409.458 3.763 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000552138040 1012157527 /nfs/dbraw/zinc/15/75/27/1012157527.db2.gz ZZUTUTMUUHXDIE-GOSISDBHSA-N 1 0 420.428 3.775 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](C3CC3)[C@]3(CO)CCCO3)o2)c(Cl)c1 ZINC000552146938 1012167884 /nfs/dbraw/zinc/16/78/84/1012167884.db2.gz DZZGQJDYEBKRMK-VQTJNVASSA-N 1 0 406.866 3.918 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1)CC(C)C ZINC000536924775 1012208792 /nfs/dbraw/zinc/20/87/92/1012208792.db2.gz KXWGFINXQJSPDD-UHFFFAOYSA-N 1 0 405.539 3.753 20 5 HHBDRO CC[NH+](CC)CCOc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1OC ZINC000523664571 1012257824 /nfs/dbraw/zinc/25/78/24/1012257824.db2.gz QJFMYLFICLNCJD-UHFFFAOYSA-N 1 0 407.492 3.946 20 5 HHBDRO Cn1ccnc1[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552275882 1012289809 /nfs/dbraw/zinc/28/98/09/1012289809.db2.gz CUQCNTPEFLKUJM-GXOAENINSA-N 1 0 414.506 3.908 20 5 HHBDRO CCc1ccc([C@H](NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549932 1012336711 /nfs/dbraw/zinc/33/67/11/1012336711.db2.gz LMHZCGSHUZCJAE-PNLZDCPESA-N 1 0 401.507 3.929 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCCN(c4cccnc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000541553382 1012340802 /nfs/dbraw/zinc/34/08/02/1012340802.db2.gz GHIWMRBIIHNRBP-IBGZPJMESA-N 1 0 422.441 3.544 20 5 HHBDRO COc1cc(S(=O)(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000537030598 1012343476 /nfs/dbraw/zinc/34/34/76/1012343476.db2.gz XVUFWPFYCYYXNS-OAHLLOKOSA-N 1 0 419.503 3.779 20 5 HHBDRO COc1ccc(OCC[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c([N+](=O)[O-])c1 ZINC000541603792 1012402512 /nfs/dbraw/zinc/40/25/12/1012402512.db2.gz ZMIPIYAXAFGDSX-NSHDSACASA-N 1 0 416.400 3.709 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000552439081 1012457953 /nfs/dbraw/zinc/45/79/53/1012457953.db2.gz WUGUPYGMMPYREC-HXUWFJFHSA-N 1 0 414.408 3.992 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000537107081 1012477166 /nfs/dbraw/zinc/47/71/66/1012477166.db2.gz HMVSCCLNYZGUPE-INIZCTEOSA-N 1 0 416.497 3.735 20 5 HHBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000537123657 1012505811 /nfs/dbraw/zinc/50/58/11/1012505811.db2.gz BESMWSVNTNMBGO-VBKZILBWSA-N 1 0 413.449 3.979 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000537125892 1012507678 /nfs/dbraw/zinc/50/76/78/1012507678.db2.gz LUQDREADCFGBJJ-JXFKEZNVSA-N 1 0 413.474 3.690 20 5 HHBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(-c2cccnc2)cc1 ZINC000537133181 1012519556 /nfs/dbraw/zinc/51/95/56/1012519556.db2.gz JMURXFMOWUDFQU-INIZCTEOSA-N 1 0 402.454 3.897 20 5 HHBDRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccc([N+](=O)[O-])s3)cc2)C[C@H]1C ZINC000537140325 1012531527 /nfs/dbraw/zinc/53/15/27/1012531527.db2.gz ZCKSSBZYYZRBCU-HZPDHXFCSA-N 1 0 417.531 3.595 20 5 HHBDRO C[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541692920 1012537723 /nfs/dbraw/zinc/53/77/23/1012537723.db2.gz VLNDHSPDVNSWMS-AWEZNQCLSA-N 1 0 405.495 3.927 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)C2)nc1 ZINC000541773351 1012639729 /nfs/dbraw/zinc/63/97/29/1012639729.db2.gz XRSBNVDBKJXKBJ-CYBMUJFWSA-N 1 0 414.359 3.756 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000537262931 1012713879 /nfs/dbraw/zinc/71/38/79/1012713879.db2.gz JLRNSEZMNQMUBQ-DYESRHJHSA-N 1 0 416.481 3.907 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000537288659 1012745430 /nfs/dbraw/zinc/74/54/30/1012745430.db2.gz MCDYFHLFZZZHCC-HYXAFXHYSA-N 1 0 405.248 3.932 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000537327265 1012783991 /nfs/dbraw/zinc/78/39/91/1012783991.db2.gz MMJFFHNVIDJQAA-ICSRJNTNSA-N 1 0 411.502 3.699 20 5 HHBDRO CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000541944764 1012806073 /nfs/dbraw/zinc/80/60/73/1012806073.db2.gz HMWHSWLFCXTFPQ-QGZVFWFLSA-N 1 0 419.428 3.933 20 5 HHBDRO COc1cc(C(=O)NC[C@H](C)C[NH+](C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000552887107 1012891177 /nfs/dbraw/zinc/89/11/77/1012891177.db2.gz LOUSJDOGMZKWOS-ZDUSSCGKSA-N 1 0 421.881 3.977 20 5 HHBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000524122230 1012899484 /nfs/dbraw/zinc/89/94/84/1012899484.db2.gz JPNUPPQPHZIYIT-IEBWSBKVSA-N 1 0 417.531 3.577 20 5 HHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000537418165 1012901308 /nfs/dbraw/zinc/90/13/08/1012901308.db2.gz XULNWXYGOVNFSJ-UHFFFAOYSA-N 1 0 421.563 3.671 20 5 HHBDRO COCCC[N@@H+]1Cc2cccc(N[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)c2C1 ZINC000524136154 1012921348 /nfs/dbraw/zinc/92/13/48/1012921348.db2.gz KGUCMTGRKQTHBK-INIZCTEOSA-N 1 0 412.490 3.694 20 5 HHBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000586827684 1072467258 /nfs/dbraw/zinc/46/72/58/1072467258.db2.gz YSTGXIYFOUPTBI-RMJJICAUSA-N 1 0 414.550 3.776 20 5 HHBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC001168324292 1072503689 /nfs/dbraw/zinc/50/36/89/1072503689.db2.gz JAUHODIMMUFKKY-UHFFFAOYSA-N 1 0 404.308 3.718 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1SC ZINC000571714335 1072701435 /nfs/dbraw/zinc/70/14/35/1072701435.db2.gz QTVATUJYDNRIEC-RHSMWYFYSA-N 1 0 415.515 3.718 20 5 HHBDRO C[N@@H+]1CC[C@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000588008688 1072743547 /nfs/dbraw/zinc/74/35/47/1072743547.db2.gz DAHNCAITCAOSOK-XIKOKIGWSA-N 1 0 408.861 3.567 20 5 HHBDRO CN(C)C(=O)C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000571987957 1072963973 /nfs/dbraw/zinc/96/39/73/1072963973.db2.gz VLTRJOFGCOVHTA-LJQANCHMSA-N 1 0 408.458 3.602 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])cc1O ZINC000760701858 1073195884 /nfs/dbraw/zinc/19/58/84/1073195884.db2.gz FSQYNWXADVZEQV-JOCHJYFZSA-N 1 0 424.453 3.711 20 5 HHBDRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000588824624 1073280207 /nfs/dbraw/zinc/28/02/07/1073280207.db2.gz FJCRIBVGTYTVBC-GOSISDBHSA-N 1 0 411.930 3.582 20 5 HHBDRO CCOc1cc(C[NH2+][C@H](C)CF)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000588930953 1073348027 /nfs/dbraw/zinc/34/80/27/1073348027.db2.gz ZYQIBBOQGPVTCN-CQSZACIVSA-N 1 0 420.437 3.887 20 5 HHBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000588959583 1073358869 /nfs/dbraw/zinc/35/88/69/1073358869.db2.gz HVLSQBWOBRJKSX-LBPRGKRZSA-N 1 0 405.451 3.512 20 5 HHBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000590193879 1073641121 /nfs/dbraw/zinc/64/11/21/1073641121.db2.gz WINCORUMLGKPEE-YPMHNXCESA-N 1 0 413.243 3.587 20 5 HHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000574202673 1075174410 /nfs/dbraw/zinc/17/44/10/1075174410.db2.gz KKEUPUJZISKVKM-DNVCBOLYSA-N 1 0 405.458 3.843 20 5 HHBDRO COc1cc(Cc2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000574794071 1075379793 /nfs/dbraw/zinc/37/97/93/1075379793.db2.gz BGVCXVNCODTKIU-UHFFFAOYSA-N 1 0 424.457 3.849 20 5 HHBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc1Cl ZINC001164387119 718814286 /nfs/dbraw/zinc/81/42/86/718814286.db2.gz DARUKGIFWAUZBU-LBPRGKRZSA-N 1 0 414.762 3.699 20 5 HHBDRO Cc1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164733358 720451483 /nfs/dbraw/zinc/45/14/83/720451483.db2.gz PIASNGPSRIUBTK-RTWAWAEBSA-N 1 0 416.485 3.608 20 5 HHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)CC[C@@H]21 ZINC001164836258 720534994 /nfs/dbraw/zinc/53/49/94/720534994.db2.gz JITMVYJFMZBBKG-LQWHRVPQSA-N 1 0 420.517 3.717 20 5 HHBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164793414 721491428 /nfs/dbraw/zinc/49/14/28/721491428.db2.gz RZYGOAUUWIDBFH-UHFFFAOYSA-N 1 0 418.501 3.814 20 5 HHBDRO O=[N+]([O-])c1cccc2nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)ccc21 ZINC001164911040 721530923 /nfs/dbraw/zinc/53/09/23/721530923.db2.gz VGEXDXZFYKXDSO-FUHWJXTLSA-N 1 0 408.433 3.624 20 5 HHBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164910381 721549415 /nfs/dbraw/zinc/54/94/15/721549415.db2.gz UNMSGHPOPBDDEN-AZUAARDMSA-N 1 0 408.433 3.624 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC001165020289 721801135 /nfs/dbraw/zinc/80/11/35/721801135.db2.gz FAQZZBUQNRFKDH-JCGIZDLHSA-N 1 0 401.898 3.775 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)C[C@H]21 ZINC001165025284 721816780 /nfs/dbraw/zinc/81/67/80/721816780.db2.gz MEMAMOJSRHPNNA-SZVBFZGTSA-N 1 0 406.490 3.603 20 5 HHBDRO CCOc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165024176 721819248 /nfs/dbraw/zinc/81/92/48/721819248.db2.gz JLUQILTXZCPFBY-UHOSZYNNSA-N 1 0 411.506 3.520 20 5 HHBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301204852 970807026 /nfs/dbraw/zinc/80/70/26/970807026.db2.gz RZKXQMYMAARVKH-CYBMUJFWSA-N 1 0 420.863 3.873 20 5 HHBDRO C[C@@H]([NH2+]C1(CNc2nc3sccn3c2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000301247426 970830620 /nfs/dbraw/zinc/83/06/20/970830620.db2.gz BVDIUCVXXWNSEX-CQSZACIVSA-N 1 0 401.492 3.616 20 5 HHBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301314702 970862341 /nfs/dbraw/zinc/86/23/41/970862341.db2.gz LOBIJDARKWSOBR-OAHLLOKOSA-N 1 0 414.462 3.941 20 5 HHBDRO Cn1ccnc1C(=O)c1ccc(NC2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000301475839 970948326 /nfs/dbraw/zinc/94/83/26/970948326.db2.gz NXUQPKLKKBPKPX-UHFFFAOYSA-N 1 0 411.506 3.768 20 5 HHBDRO COc1cc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(F)cc1[N+](=O)[O-] ZINC000301868276 971092416 /nfs/dbraw/zinc/09/24/16/971092416.db2.gz HYAISDDQDLNFLQ-GJZGRUSLSA-N 1 0 403.454 3.964 20 5 HHBDRO O=[N+]([O-])c1cnc2ccc(NC[C@@H](c3ccccc3)[N@@H+]3CCc4sccc4C3)nn21 ZINC000301872589 971094033 /nfs/dbraw/zinc/09/40/33/971094033.db2.gz DGUYMVYNPPZUSS-KRWDZBQOSA-N 1 0 420.498 3.911 20 5 HHBDRO CC(C)NC(=O)c1ccc(N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000301927234 971120269 /nfs/dbraw/zinc/12/02/69/971120269.db2.gz ZGQPHVFEBMAFLZ-GOSISDBHSA-N 1 0 410.518 3.834 20 5 HHBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000553139391 1013097965 /nfs/dbraw/zinc/09/79/65/1013097965.db2.gz MJJMIXOMCDJWSA-AZUAARDMSA-N 1 0 424.501 3.576 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)cc1OC ZINC000303457406 971760564 /nfs/dbraw/zinc/76/05/64/971760564.db2.gz GLDOTKBQFPFUGI-OAHLLOKOSA-N 1 0 407.511 3.633 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000303586498 971878628 /nfs/dbraw/zinc/87/86/28/971878628.db2.gz STMUPZAEKQAYLM-CABCVRRESA-N 1 0 415.943 3.523 20 5 HHBDRO CC1CC[NH+](C[C@H]2CCCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000303648375 971927341 /nfs/dbraw/zinc/92/73/41/971927341.db2.gz ALPCSYXMVSJCSW-MRXNPFEDSA-N 1 0 408.930 3.631 20 5 HHBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000524303882 1013117254 /nfs/dbraw/zinc/11/72/54/1013117254.db2.gz ASANZRYEMJWYFS-UHFFFAOYSA-N 1 0 410.518 3.691 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303753039 972005301 /nfs/dbraw/zinc/00/53/01/972005301.db2.gz CHZJIRSJMIIAED-IEBWSBKVSA-N 1 0 417.531 3.577 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303777644 972022073 /nfs/dbraw/zinc/02/20/73/972022073.db2.gz ICIAGPDFKZSCRJ-HKUYNNGSSA-N 1 0 417.531 3.577 20 5 HHBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000537614707 1013154073 /nfs/dbraw/zinc/15/40/73/1013154073.db2.gz CBQCVXHBDPDNIA-ZFWWWQNUSA-N 1 0 419.444 3.707 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000542211659 1013158596 /nfs/dbraw/zinc/15/85/96/1013158596.db2.gz JXDFGEYYPPDLAL-MRXNPFEDSA-N 1 0 421.291 3.766 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000542211658 1013158817 /nfs/dbraw/zinc/15/88/17/1013158817.db2.gz JXDFGEYYPPDLAL-INIZCTEOSA-N 1 0 421.291 3.766 20 5 HHBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000524339656 1013165006 /nfs/dbraw/zinc/16/50/06/1013165006.db2.gz CNGKJJRSLTVDKQ-SJKOYZFVSA-N 1 0 409.364 3.950 20 5 HHBDRO Cc1nc(COc2ccc(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2)no1 ZINC000537632588 1013186932 /nfs/dbraw/zinc/18/69/32/1013186932.db2.gz FEMYIHZQKABGJG-UHFFFAOYSA-N 1 0 424.457 3.909 20 5 HHBDRO CN(c1ccccc1)c1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1[N+](=O)[O-] ZINC000007126687 961031302 /nfs/dbraw/zinc/03/13/02/961031302.db2.gz ULLYPIZNFDPTSF-HXUWFJFHSA-N 1 0 413.441 4.000 20 5 HHBDRO CNc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000007257749 961093938 /nfs/dbraw/zinc/09/39/38/961093938.db2.gz QBFUKCPGLYJCDX-UHFFFAOYSA-N 1 0 402.882 3.684 20 5 HHBDRO CCOc1cc(C[N@@H+]2CC[C@@H](CC)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000537688784 1013253075 /nfs/dbraw/zinc/25/30/75/1013253075.db2.gz VWXIJOLHSNNRMF-QGZVFWFLSA-N 1 0 402.495 3.809 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NCc3ccccc3C[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000009917263 961712223 /nfs/dbraw/zinc/71/22/23/961712223.db2.gz SIXXZMVMHXBDLQ-UHFFFAOYSA-N 1 0 410.518 3.823 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)[NH+]2CCCC2)c1 ZINC000010092318 961740884 /nfs/dbraw/zinc/74/08/84/961740884.db2.gz GPNUHMBEMDSZKL-LJQANCHMSA-N 1 0 415.515 3.892 20 5 HHBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000010456737 961825757 /nfs/dbraw/zinc/82/57/57/961825757.db2.gz LBQCIMFVFTWQME-UHFFFAOYSA-N 1 0 412.446 3.727 20 5 HHBDRO Nc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] ZINC000010636187 961867904 /nfs/dbraw/zinc/86/79/04/961867904.db2.gz GGYPKBWBMHHCDY-UHFFFAOYSA-N 1 0 422.407 3.544 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])cc2)CC1 ZINC000011951675 962213848 /nfs/dbraw/zinc/21/38/48/962213848.db2.gz QOSKUEJOJDKLPL-UHFFFAOYSA-N 1 0 400.504 3.711 20 5 HHBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000537786599 1013346709 /nfs/dbraw/zinc/34/67/09/1013346709.db2.gz HEKBKDYDBFZYDA-UHFFFAOYSA-N 1 0 407.474 3.850 20 5 HHBDRO CC1CC[NH+]([C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000014515315 962518386 /nfs/dbraw/zinc/51/83/86/962518386.db2.gz MDMRPXVMKPMGPT-KRWDZBQOSA-N 1 0 418.475 3.768 20 5 HHBDRO COC(=O)c1cc(C)nc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000553483216 1013388823 /nfs/dbraw/zinc/38/88/23/1013388823.db2.gz WCPZHUZOAFAISQ-MRXNPFEDSA-N 1 0 404.511 3.566 20 5 HHBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 ZINC000542470316 1013418657 /nfs/dbraw/zinc/41/86/57/1013418657.db2.gz OYYNFGPXPKBFQN-UHFFFAOYSA-N 1 0 412.671 3.530 20 5 HHBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000023138749 963773915 /nfs/dbraw/zinc/77/39/15/963773915.db2.gz ZRQNJLPROSCRSY-UHFFFAOYSA-N 1 0 402.882 3.951 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000023710649 963879756 /nfs/dbraw/zinc/87/97/56/963879756.db2.gz XMHLQZHBZQQXDZ-DNVCBOLYSA-N 1 0 416.547 3.925 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2[N+](=O)[O-])C1 ZINC000050009399 964237675 /nfs/dbraw/zinc/23/76/75/964237675.db2.gz VTKAXXLGIUIUAI-GOSISDBHSA-N 1 0 414.550 3.922 20 5 HHBDRO C[NH+](C)CCOc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000050333013 964311704 /nfs/dbraw/zinc/31/17/04/964311704.db2.gz VNQGWFVNIVLGTG-UHFFFAOYSA-N 1 0 412.471 3.911 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050628490 964367177 /nfs/dbraw/zinc/36/71/77/964367177.db2.gz CGJZHOQDIUKQLZ-UHFFFAOYSA-N 1 0 410.499 3.922 20 5 HHBDRO CN1CCC([NH+]2CCC(NC(=O)c3cc4ccccc4c4cccnc34)CC2)CC1 ZINC000050797968 964400273 /nfs/dbraw/zinc/40/02/73/964400273.db2.gz JFYVRKFCTBPZKG-UHFFFAOYSA-N 1 0 402.542 3.676 20 5 HHBDRO Cc1ccc(C(=O)NC2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000051098052 964463887 /nfs/dbraw/zinc/46/38/87/964463887.db2.gz LXMXGHHCPLIJJY-UHFFFAOYSA-N 1 0 403.504 3.628 20 5 HHBDRO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132796 964471108 /nfs/dbraw/zinc/47/11/08/964471108.db2.gz ZVINKYFNRIDHCI-AUSIDOKSSA-N 1 0 409.486 3.584 20 5 HHBDRO Cc1ccccc1C[N@@H+]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000052666783 964946346 /nfs/dbraw/zinc/94/63/46/964946346.db2.gz DVWVCZVIDOOLHA-UHFFFAOYSA-N 1 0 407.474 3.661 20 5 HHBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000553673381 1013538326 /nfs/dbraw/zinc/53/83/26/1013538326.db2.gz AUSKKMDZHDGDFK-HXUWFJFHSA-N 1 0 417.513 3.540 20 5 HHBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000052795223 964987341 /nfs/dbraw/zinc/98/73/41/964987341.db2.gz UVYAIZXKDUKODW-QUCCMNQESA-N 1 0 415.515 3.517 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027929378 964999898 /nfs/dbraw/zinc/99/98/98/964999898.db2.gz ZVWDTRHSRJTUIG-UHFFFAOYSA-N 1 0 410.518 3.610 20 5 HHBDRO COc1ccc(C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C2CC2)cc1 ZINC000053097639 965061352 /nfs/dbraw/zinc/06/13/52/965061352.db2.gz OCULFBPXGGGBGS-OAHLLOKOSA-N 1 0 413.474 3.851 20 5 HHBDRO COc1ccc(Br)c(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000537967287 1013544785 /nfs/dbraw/zinc/54/47/85/1013544785.db2.gz BAUXXBDXALMFNG-LBPRGKRZSA-N 1 0 422.279 3.873 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053213382 965091133 /nfs/dbraw/zinc/09/11/33/965091133.db2.gz WUTVVICWBYKLAB-OAHLLOKOSA-N 1 0 409.490 3.520 20 5 HHBDRO COc1ccc(NC(=O)[C@@H]([NH2+]CCNc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000028622969 965140684 /nfs/dbraw/zinc/14/06/84/965140684.db2.gz FJPXGQNGRFWQMB-QFIPXVFZSA-N 1 0 420.469 3.985 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000053809761 965276873 /nfs/dbraw/zinc/27/68/73/965276873.db2.gz GAMFEEPOIUTTIX-SJORKVTESA-N 1 0 411.506 3.767 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053809480 965277303 /nfs/dbraw/zinc/27/73/03/965277303.db2.gz MKVABTMOECDDMP-KRWDZBQOSA-N 1 0 411.506 3.625 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000537989792 1013564135 /nfs/dbraw/zinc/56/41/35/1013564135.db2.gz FAELHIXMTXJGMW-MRXNPFEDSA-N 1 0 419.485 3.776 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000059286944 966009660 /nfs/dbraw/zinc/00/96/60/966009660.db2.gz JHHAZECTILBKIV-HDICACEKSA-N 1 0 411.502 3.768 20 5 HHBDRO O=C(NCCNc1cc[nH+]cc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542704611 1013619363 /nfs/dbraw/zinc/61/93/63/1013619363.db2.gz AFKPJXWSROGXBZ-UHFFFAOYSA-N 1 0 400.504 3.536 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000060089828 966060021 /nfs/dbraw/zinc/06/00/21/966060021.db2.gz LUPZGCDCYJIYHG-IBGZPJMESA-N 1 0 411.458 3.840 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000055870059 966111211 /nfs/dbraw/zinc/11/12/11/966111211.db2.gz OATYAWNRAXAXSJ-CALCHBBNSA-N 1 0 412.490 3.563 20 5 HHBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000056159844 966239682 /nfs/dbraw/zinc/23/96/82/966239682.db2.gz WCOCZRZHMGXRIR-KGLIPLIRSA-N 1 0 411.462 3.557 20 5 HHBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000032463031 966261922 /nfs/dbraw/zinc/26/19/22/966261922.db2.gz LPRICTBEMIHQHZ-UHFFFAOYSA-N 1 0 422.529 3.723 20 5 HHBDRO CCCc1n[nH]c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000553856360 1013658609 /nfs/dbraw/zinc/65/86/09/1013658609.db2.gz KYSRXQYJIBKRNO-INIZCTEOSA-N 1 0 407.902 3.737 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[NH+]1CCCC1 ZINC000041799322 966639577 /nfs/dbraw/zinc/63/95/77/966639577.db2.gz IHKVXNIEDIPSEI-FQEVSTJZSA-N 1 0 408.458 3.652 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[NH+]1CCCC1 ZINC000041799319 966639699 /nfs/dbraw/zinc/63/96/99/966639699.db2.gz IHKVXNIEDIPSEI-HXUWFJFHSA-N 1 0 408.458 3.652 20 5 HHBDRO COc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000043111226 966907905 /nfs/dbraw/zinc/90/79/05/966907905.db2.gz JFMXGPJOXXHEDU-NRFANRHFSA-N 1 0 412.490 3.582 20 5 HHBDRO C[C@H](CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000063782249 966955267 /nfs/dbraw/zinc/95/52/67/966955267.db2.gz PZSAKINTLNXIRB-GOSISDBHSA-N 1 0 402.539 3.683 20 5 HHBDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000043783850 967032432 /nfs/dbraw/zinc/03/24/32/967032432.db2.gz MQXCDOMSUHRYCE-UHFFFAOYSA-N 1 0 407.474 3.858 20 5 HHBDRO CCOc1cc(NC(=O)NCc2cccc(C[NH+](C)C)c2)c([N+](=O)[O-])cc1OCC ZINC000043838453 967048487 /nfs/dbraw/zinc/04/84/87/967048487.db2.gz WVPMELCRUUZMQR-UHFFFAOYSA-N 1 0 416.478 3.776 20 5 HHBDRO CCCOc1cc(NC(=O)NC2CC[NH+](CC)CC2)c([N+](=O)[O-])cc1OCCC ZINC000043878495 967065540 /nfs/dbraw/zinc/06/55/40/967065540.db2.gz UOFPXUPRTBJOJU-UHFFFAOYSA-N 1 0 408.499 3.778 20 5 HHBDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065110173 967381691 /nfs/dbraw/zinc/38/16/91/967381691.db2.gz UDMJKRDRXYSZQI-UHFFFAOYSA-N 1 0 423.498 3.508 20 5 HHBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065118383 967384880 /nfs/dbraw/zinc/38/48/80/967384880.db2.gz RRSFCWKOHDGFOP-QLFBSQMISA-N 1 0 402.520 3.815 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000065511921 967500054 /nfs/dbraw/zinc/50/00/54/967500054.db2.gz LNKIZTMXJJQJIA-GOSISDBHSA-N 1 0 410.518 3.869 20 5 HHBDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000542885127 1013732673 /nfs/dbraw/zinc/73/26/73/1013732673.db2.gz PFQPMNZBVXZWSH-QVKFZJNVSA-N 1 0 405.458 3.545 20 5 HHBDRO COCCSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000538205291 1013759288 /nfs/dbraw/zinc/75/92/88/1013759288.db2.gz RPFVGGVOFJQDHS-OAHLLOKOSA-N 1 0 403.504 3.931 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000538209585 1013763259 /nfs/dbraw/zinc/76/32/59/1013763259.db2.gz LMNNXHWMKBUGIP-CYBMUJFWSA-N 1 0 416.865 3.664 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000047187655 968081688 /nfs/dbraw/zinc/08/16/88/968081688.db2.gz PXEVKVHDLULHIG-LJQANCHMSA-N 1 0 405.542 3.926 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000538227921 1013777566 /nfs/dbraw/zinc/77/75/66/1013777566.db2.gz JKBSLEXXDDJZRZ-CYBMUJFWSA-N 1 0 417.437 3.821 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047864967 968345929 /nfs/dbraw/zinc/34/59/29/968345929.db2.gz OVICSTGDMLSHSG-UHFFFAOYSA-N 1 0 408.405 3.792 20 5 HHBDRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000048095615 968421387 /nfs/dbraw/zinc/42/13/87/968421387.db2.gz QVBYTFCPQIZGHV-UHFFFAOYSA-N 1 0 400.426 3.780 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)c([N+](=O)[O-])c1 ZINC000538262688 1013803753 /nfs/dbraw/zinc/80/37/53/1013803753.db2.gz GAWMSTOEWLXTLR-OAHLLOKOSA-N 1 0 423.473 3.777 20 5 HHBDRO Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000065945412 968732939 /nfs/dbraw/zinc/73/29/39/968732939.db2.gz QUVOBPZIRWQRHI-INIZCTEOSA-N 1 0 420.535 3.765 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CCC([NH+](C)C)CC3)cc2[N+](=O)[O-])n1 ZINC000072027689 968941040 /nfs/dbraw/zinc/94/10/40/968941040.db2.gz PTUOYMBBMKMCFT-UHFFFAOYSA-N 1 0 406.533 3.677 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cc2)C1 ZINC000107958786 969347885 /nfs/dbraw/zinc/34/78/85/969347885.db2.gz WDZKAPSAMFROAA-OAHLLOKOSA-N 1 0 411.458 3.850 20 5 HHBDRO C[C@@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000109120380 969465215 /nfs/dbraw/zinc/46/52/15/969465215.db2.gz IMUKBBKGSCMIFQ-IRXDYDNUSA-N 1 0 411.506 3.625 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000110289949 969648738 /nfs/dbraw/zinc/64/87/38/969648738.db2.gz VIXLQJJMFWDYRL-UHFFFAOYSA-N 1 0 401.463 3.689 20 5 HHBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000110293785 969648833 /nfs/dbraw/zinc/64/88/33/969648833.db2.gz TXFGCZDMGXNKFU-ROUUACIJSA-N 1 0 417.531 3.655 20 5 HHBDRO CC(C)[C@H](CO)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000112656925 969821778 /nfs/dbraw/zinc/82/17/78/969821778.db2.gz XGMYFYYXCWNTPZ-IBGZPJMESA-N 1 0 405.882 3.706 20 5 HHBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cc([N+](=O)[O-])c1 ZINC000195695808 969964768 /nfs/dbraw/zinc/96/47/68/969964768.db2.gz OANOEYPFAPWVQZ-UHFFFAOYSA-N 1 0 420.307 3.870 20 5 HHBDRO C[C@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000140190457 970067223 /nfs/dbraw/zinc/06/72/23/970067223.db2.gz CCVGPWLMUWLCGC-HNNXBMFYSA-N 1 0 417.893 3.913 20 5 HHBDRO C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000140453042 970076920 /nfs/dbraw/zinc/07/69/20/970076920.db2.gz QSFFWGGSGMLJHT-HNNXBMFYSA-N 1 0 417.893 3.913 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000140944674 970092894 /nfs/dbraw/zinc/09/28/94/970092894.db2.gz IQLJIZWNHUYUKL-CYBMUJFWSA-N 1 0 407.854 3.595 20 5 HHBDRO COCCN1CCC[C@H]1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237095426 970221152 /nfs/dbraw/zinc/22/11/52/970221152.db2.gz CEHYLBDVFREPEM-SFHVURJKSA-N 1 0 403.454 3.727 20 5 HHBDRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000237144799 970231168 /nfs/dbraw/zinc/23/11/68/970231168.db2.gz KQQKLLGAPPFYCB-UHFFFAOYSA-N 1 0 412.309 3.557 20 5 HHBDRO COc1ccc(C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000237150520 970231747 /nfs/dbraw/zinc/23/17/47/970231747.db2.gz ZJMSGHITCNWDMY-UHFFFAOYSA-N 1 0 405.760 3.839 20 5 HHBDRO COc1ccc(C[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)cc1[N+](=O)[O-] ZINC000237260540 970250228 /nfs/dbraw/zinc/25/02/28/970250228.db2.gz AMZFEAYTOLQINB-UHFFFAOYSA-N 1 0 421.457 3.610 20 5 HHBDRO COc1cc2c(cc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000237294027 970257542 /nfs/dbraw/zinc/25/75/42/970257542.db2.gz PYOYGXMFPKQDKN-CQSZACIVSA-N 1 0 408.458 3.617 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000237328667 970263381 /nfs/dbraw/zinc/26/33/81/970263381.db2.gz IKCQJQKQGZNQMQ-QGZVFWFLSA-N 1 0 409.408 3.986 20 5 HHBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000145743596 970270563 /nfs/dbraw/zinc/27/05/63/970270563.db2.gz RHAAXXYNPLVWCH-UHFFFAOYSA-N 1 0 418.881 3.651 20 5 HHBDRO COc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237363026 970270510 /nfs/dbraw/zinc/27/05/10/970270510.db2.gz VIVPUHROEGJOQD-SFTDATJTSA-N 1 0 411.502 3.899 20 5 HHBDRO COc1cc(CN[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237381619 970274442 /nfs/dbraw/zinc/27/44/42/970274442.db2.gz RRSNYEVEZFAXKN-VQIMIIECSA-N 1 0 411.502 3.897 20 5 HHBDRO C[C@H](Cc1cccc(Br)c1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000554530684 1013971632 /nfs/dbraw/zinc/97/16/32/1013971632.db2.gz QDIKUUACZHFCIF-CYBMUJFWSA-N 1 0 406.280 3.907 20 5 HHBDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237507326 970304426 /nfs/dbraw/zinc/30/44/26/970304426.db2.gz APZYAERPLXXIEX-HNNXBMFYSA-N 1 0 405.882 3.851 20 5 HHBDRO C[C@H]1CN([C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])c2c(F)cccc2Cl)CCO1 ZINC000237649505 970329480 /nfs/dbraw/zinc/32/94/80/970329480.db2.gz WLDXDZQKSWQFEM-LIRRHRJNSA-N 1 0 407.873 3.939 20 5 HHBDRO O=C(Cc1cccc(F)c1)NCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237742420 970352323 /nfs/dbraw/zinc/35/23/23/970352323.db2.gz SLNZPISQCJYAGC-UHFFFAOYSA-N 1 0 413.474 3.911 20 5 HHBDRO Cn1cc(C[NH2+]C[C@@H](c2cccs2)N2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237767424 970361834 /nfs/dbraw/zinc/36/18/34/970361834.db2.gz XHDQIABDYBPJIC-IBGZPJMESA-N 1 0 411.531 3.984 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCN(CC(F)(F)F)C3)cs2)c1 ZINC000237867416 970385898 /nfs/dbraw/zinc/38/58/98/970385898.db2.gz PXGUUXIRECOZFA-GFCCVEGCSA-N 1 0 400.426 3.692 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)s1 ZINC000237967735 970407787 /nfs/dbraw/zinc/40/77/87/970407787.db2.gz BMWIENXTIIQPMZ-OAHLLOKOSA-N 1 0 402.447 3.992 20 5 HHBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000248167083 970518198 /nfs/dbraw/zinc/51/81/98/970518198.db2.gz OXTVLXXPWXEIGY-IAGOWNOFSA-N 1 0 411.506 3.623 20 5 HHBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000261426064 970671961 /nfs/dbraw/zinc/67/19/61/970671961.db2.gz GQKFCVSVATZXOA-UHFFFAOYSA-N 1 0 412.490 3.778 20 5 HHBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301116344 970756380 /nfs/dbraw/zinc/75/63/80/970756380.db2.gz KXNOIIYENLXAKT-GJZGRUSLSA-N 1 0 400.445 3.608 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000554846267 1014072674 /nfs/dbraw/zinc/07/26/74/1014072674.db2.gz QBKCAPIFOLUTNZ-MRXNPFEDSA-N 1 0 415.412 3.987 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000554843830 1014071967 /nfs/dbraw/zinc/07/19/67/1014071967.db2.gz OEVPAEFPOLKUJY-LAUBAEHRSA-N 1 0 411.506 3.747 20 5 HHBDRO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554847137 1014073463 /nfs/dbraw/zinc/07/34/63/1014073463.db2.gz RGNWSNPOPYWFGD-CQSZACIVSA-N 1 0 407.873 3.909 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccco1 ZINC000426316277 974391202 /nfs/dbraw/zinc/39/12/02/974391202.db2.gz DCJPSJSDVIWYAS-LJQANCHMSA-N 1 0 400.479 3.945 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@](O)(C3CC3)C2)cc1 ZINC000426517166 974501847 /nfs/dbraw/zinc/50/18/47/974501847.db2.gz YOYKPRCOWKWDKP-HSZRJFAPSA-N 1 0 404.470 3.794 20 5 HHBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000426687948 974599544 /nfs/dbraw/zinc/59/95/44/974599544.db2.gz TVYQHRNGEOIAMG-IBGZPJMESA-N 1 0 411.502 3.978 20 5 HHBDRO Cc1c(C[N@@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000426747395 974632423 /nfs/dbraw/zinc/63/24/23/974632423.db2.gz OXOIEMZQCAHDIO-MRXNPFEDSA-N 1 0 403.504 3.636 20 5 HHBDRO COc1cc(Br)ccc1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000427842951 975317060 /nfs/dbraw/zinc/31/70/60/975317060.db2.gz LGXGERWENFKYTK-LBPRGKRZSA-N 1 0 422.279 3.873 20 5 HHBDRO Cc1cc2c(cc1C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCS2 ZINC000427877403 975331173 /nfs/dbraw/zinc/33/11/73/975331173.db2.gz OCTKDABXKJEKLK-SFHVURJKSA-N 1 0 406.529 3.812 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000427901001 975339528 /nfs/dbraw/zinc/33/95/28/975339528.db2.gz AIORMHPWNPNNQL-SFTDATJTSA-N 1 0 423.513 3.653 20 5 HHBDRO C[C@@H]1CN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000428462229 975764730 /nfs/dbraw/zinc/76/47/30/975764730.db2.gz QEPHPMASMNGYPK-OAHLLOKOSA-N 1 0 405.882 3.539 20 5 HHBDRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1[N+](=O)[O-] ZINC000428477570 975776654 /nfs/dbraw/zinc/77/66/54/975776654.db2.gz UUCQVSYBJNUQNB-INIZCTEOSA-N 1 0 403.504 3.636 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000428536566 975835108 /nfs/dbraw/zinc/83/51/08/975835108.db2.gz JQQVQFZPUHUTHM-SFHVURJKSA-N 1 0 415.515 3.916 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000428541008 975843350 /nfs/dbraw/zinc/84/33/50/975843350.db2.gz DMAVJXTUXUDWNV-IEXSPKMKSA-N 1 0 405.292 3.811 20 5 HHBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC(F)F ZINC000428675131 975968583 /nfs/dbraw/zinc/96/85/83/975968583.db2.gz KSLRRWDQGLRKFA-QGZVFWFLSA-N 1 0 407.417 3.899 20 5 HHBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000428778891 976052847 /nfs/dbraw/zinc/05/28/47/976052847.db2.gz BPFVRPUIAHANHU-HSZRJFAPSA-N 1 0 421.453 3.609 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429226420 976518326 /nfs/dbraw/zinc/51/83/26/976518326.db2.gz KXHVOJBXXZJINL-MRXNPFEDSA-N 1 0 400.454 3.582 20 5 HHBDRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429256091 976544360 /nfs/dbraw/zinc/54/43/60/976544360.db2.gz PELMXAIGJLRDAU-CQSZACIVSA-N 1 0 407.902 3.746 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000429458920 976732994 /nfs/dbraw/zinc/73/29/94/976732994.db2.gz XKTKADKYKAOKJN-XZOQPEGZSA-N 1 0 409.530 3.797 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429607074 976890911 /nfs/dbraw/zinc/89/09/11/976890911.db2.gz CZRWRGNDLDNEFR-IBGZPJMESA-N 1 0 412.490 3.624 20 5 HHBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430552235 977627271 /nfs/dbraw/zinc/62/72/71/977627271.db2.gz JOJDUFQXUZWHIW-UHFFFAOYSA-N 1 0 415.515 3.778 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000430645182 977665955 /nfs/dbraw/zinc/66/59/55/977665955.db2.gz ZSHXRNQVBNUEKB-FXAWDEMLSA-N 1 0 419.485 3.563 20 5 HHBDRO CCOc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)c([N+](=O)[O-])cc1OC ZINC000430839764 977792912 /nfs/dbraw/zinc/79/29/12/977792912.db2.gz PSXBZYMPYDRAIQ-NVXWUHKLSA-N 1 0 407.511 3.633 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000431057276 977986796 /nfs/dbraw/zinc/98/67/96/977986796.db2.gz HKZAWZDABAXQKD-UHFFFAOYSA-N 1 0 411.506 3.794 20 5 HHBDRO CC[C@@H](NC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000431098348 978017071 /nfs/dbraw/zinc/01/70/71/978017071.db2.gz PFHNKKOOJLIKMF-GOSISDBHSA-N 1 0 400.483 3.639 20 5 HHBDRO CC(C)CC[NH+]1CCC(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000431571532 978364609 /nfs/dbraw/zinc/36/46/09/978364609.db2.gz RQTGMRNNHFKDMA-UHFFFAOYSA-N 1 0 411.930 3.891 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)SCC[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000433049557 979051790 /nfs/dbraw/zinc/05/17/90/979051790.db2.gz VURFULBCFIZTNE-OAHLLOKOSA-N 1 0 403.504 3.796 20 5 HHBDRO Cn1cc(CNc2cccc3c2OCC[C@H]3[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000433181069 979124504 /nfs/dbraw/zinc/12/45/04/979124504.db2.gz JBPNCAYORNZFHH-HXUWFJFHSA-N 1 0 407.474 3.993 20 5 HHBDRO O=C(C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000433304721 979225899 /nfs/dbraw/zinc/22/58/99/979225899.db2.gz OEKPBPUUKVMTRD-IBGZPJMESA-N 1 0 403.866 3.680 20 5 HHBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000433851188 979626404 /nfs/dbraw/zinc/62/64/04/979626404.db2.gz AGQDVVTWKQSDJC-AWEZNQCLSA-N 1 0 405.524 3.706 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccccc1Cl ZINC000433862088 979632995 /nfs/dbraw/zinc/63/29/95/979632995.db2.gz IMEPIUOQWMYFFD-OAHLLOKOSA-N 1 0 407.902 3.908 20 5 HHBDRO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434156122 979917924 /nfs/dbraw/zinc/91/79/24/979917924.db2.gz YGXAIRSGZODOBG-UHFFFAOYSA-N 1 0 403.866 3.999 20 5 HHBDRO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435275421 980753408 /nfs/dbraw/zinc/75/34/08/980753408.db2.gz RORQMZBCOMWENU-HXUWFJFHSA-N 1 0 405.458 3.799 20 5 HHBDRO Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435278314 980755350 /nfs/dbraw/zinc/75/53/50/980755350.db2.gz LZVILMKQJXLDTG-GOSISDBHSA-N 1 0 405.458 3.799 20 5 HHBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000435280342 980756643 /nfs/dbraw/zinc/75/66/43/980756643.db2.gz SGLLXAMMKCRBPU-FUHWJXTLSA-N 1 0 414.458 3.614 20 5 HHBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435283378 980758603 /nfs/dbraw/zinc/75/86/03/980758603.db2.gz XGHFDCJUVCEOKM-SFHVURJKSA-N 1 0 423.448 3.938 20 5 HHBDRO Cc1cc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000435370496 980819522 /nfs/dbraw/zinc/81/95/22/980819522.db2.gz ISYSKOLRQNSSIN-IBGZPJMESA-N 1 0 405.458 3.799 20 5 HHBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436066938 981186508 /nfs/dbraw/zinc/18/65/08/981186508.db2.gz PJQRLTPETFJVAS-UHFFFAOYSA-N 1 0 411.452 3.564 20 5 HHBDRO C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[N@@H+]1CCC[C@H](C)C1 ZINC000436103159 981201563 /nfs/dbraw/zinc/20/15/63/981201563.db2.gz UAVWWJZQHGLZNI-UONOGXRCSA-N 1 0 413.468 3.810 20 5 HHBDRO C[N@H+](CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)Cc1ccccc1 ZINC000436144015 981218932 /nfs/dbraw/zinc/21/89/32/981218932.db2.gz ZNGHTCPRHGEGQC-UHFFFAOYSA-N 1 0 403.457 3.682 20 5 HHBDRO O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC([NH+]2CCCC2)CC1 ZINC000436364033 981327174 /nfs/dbraw/zinc/32/71/74/981327174.db2.gz LTQYFMQQIBCSRU-UHFFFAOYSA-N 1 0 411.452 3.660 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3O)CC2)cc1[N+](=O)[O-] ZINC000436576971 981455735 /nfs/dbraw/zinc/45/57/35/981455735.db2.gz NOFYMWNZVWDDDD-OAHLLOKOSA-N 1 0 413.474 3.655 20 5 HHBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000448405117 981758194 /nfs/dbraw/zinc/75/81/94/981758194.db2.gz OJTVAIWOWWPICV-CYBMUJFWSA-N 1 0 400.426 3.686 20 5 HHBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448407100 981760210 /nfs/dbraw/zinc/76/02/10/981760210.db2.gz YKPGUKFKYGLLRQ-WBMJQRKESA-N 1 0 410.421 3.677 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000437122047 981775276 /nfs/dbraw/zinc/77/52/76/981775276.db2.gz HCGYLVLPJUEWBN-SFHVURJKSA-N 1 0 404.474 3.839 20 5 HHBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000437188071 981844317 /nfs/dbraw/zinc/84/43/17/981844317.db2.gz ZEZCVCCRYYICGY-SCTDSRPQSA-N 1 0 402.539 3.633 20 5 HHBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460191091 981964871 /nfs/dbraw/zinc/96/48/71/981964871.db2.gz GGXBBJNHXNKWOD-KRWDZBQOSA-N 1 0 406.490 3.584 20 5 HHBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000460244369 982022543 /nfs/dbraw/zinc/02/25/43/982022543.db2.gz YXKMKQJGIWWHBV-MRXNPFEDSA-N 1 0 412.490 3.628 20 5 HHBDRO C[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000437484096 982111329 /nfs/dbraw/zinc/11/13/29/982111329.db2.gz INZAHIXIEGYSQI-SFHVURJKSA-N 1 0 419.485 3.517 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4cc(F)cc5cccnc54)CC3)nc2c1 ZINC000460349689 982122358 /nfs/dbraw/zinc/12/23/58/982122358.db2.gz ORCKIZITZZJFRQ-UHFFFAOYSA-N 1 0 420.448 3.871 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(F)c1 ZINC000437692539 982300273 /nfs/dbraw/zinc/30/02/73/982300273.db2.gz CJKQJFIMXXFOTO-FQEVSTJZSA-N 1 0 400.454 3.711 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(F)c1 ZINC000437692540 982300308 /nfs/dbraw/zinc/30/03/08/982300308.db2.gz CJKQJFIMXXFOTO-HXUWFJFHSA-N 1 0 400.454 3.711 20 5 HHBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)[C@H](C)C1 ZINC000460613532 982392234 /nfs/dbraw/zinc/39/22/34/982392234.db2.gz LCAXPFAIQPXWSM-APWZRJJASA-N 1 0 400.527 3.676 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(F)cc1 ZINC000438012048 982522647 /nfs/dbraw/zinc/52/26/47/982522647.db2.gz LYHQRXMNNQYNFE-FQEVSTJZSA-N 1 0 400.454 3.711 20 5 HHBDRO Cc1c(CNC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000460858656 982603729 /nfs/dbraw/zinc/60/37/29/982603729.db2.gz SWTDHUXTQMUROI-NHCUHLMSSA-N 1 0 408.502 3.567 20 5 HHBDRO COc1cc(C[NH2+]C[C@@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000438365419 982747976 /nfs/dbraw/zinc/74/79/76/982747976.db2.gz QYHUHXUQIKHFPT-LJQANCHMSA-N 1 0 402.438 3.668 20 5 HHBDRO COc1cc(C[NH2+]C[C@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000438382903 982756643 /nfs/dbraw/zinc/75/66/43/982756643.db2.gz QFBCMLALWJCTAS-SFHVURJKSA-N 1 0 420.428 3.965 20 5 HHBDRO CC(C)C1CCC([NH+]2CCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000438543354 982882021 /nfs/dbraw/zinc/88/20/21/982882021.db2.gz FSIAFAAFXZPVNF-ZJRDLVKKSA-N 1 0 402.539 3.754 20 5 HHBDRO COc1ccc(CSCC(=O)Nc2ccccc2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000438570681 982909268 /nfs/dbraw/zinc/90/92/68/982909268.db2.gz JJUNROYDIPNERD-UHFFFAOYSA-N 1 0 403.504 3.579 20 5 HHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)COCc3ccccc3Cl)CC2)cc1 ZINC000438816390 983090903 /nfs/dbraw/zinc/09/09/03/983090903.db2.gz CAZGECRDMSUNDS-GOSISDBHSA-N 1 0 420.893 3.669 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461428494 983091180 /nfs/dbraw/zinc/09/11/80/983091180.db2.gz HUGBMZNYEUCCEH-RTBURBONSA-N 1 0 409.486 3.588 20 5 HHBDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000439014665 983210812 /nfs/dbraw/zinc/21/08/12/983210812.db2.gz ITNVLQZZHAQONU-FCLVOEFKSA-N 1 0 400.479 3.796 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000439016096 983211978 /nfs/dbraw/zinc/21/19/78/983211978.db2.gz BLNMOMOHXQTFFJ-MEGFKASBSA-N 1 0 403.523 3.883 20 5 HHBDRO Cc1c(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000439169238 983287876 /nfs/dbraw/zinc/28/78/76/983287876.db2.gz MXIITJPCXAHETE-JTHBVZDNSA-N 1 0 407.514 3.959 20 5 HHBDRO NC(=O)c1ccc(C[NH+]2CCC(c3cccc(Br)c3)CC2)c([N+](=O)[O-])c1 ZINC000439332182 983369305 /nfs/dbraw/zinc/36/93/05/983369305.db2.gz ZHZXCDBGHOYJDL-UHFFFAOYSA-N 1 0 418.291 3.836 20 5 HHBDRO C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000439459959 983420212 /nfs/dbraw/zinc/42/02/12/983420212.db2.gz WYNRNNXHFPFFGD-FZMZJTMJSA-N 1 0 413.243 3.587 20 5 HHBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000439523396 983436247 /nfs/dbraw/zinc/43/62/47/983436247.db2.gz XLRNMGOHEVFQOH-UHFFFAOYSA-N 1 0 404.898 3.978 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000439759085 983527475 /nfs/dbraw/zinc/52/74/75/983527475.db2.gz JVOYNODIGZZJFT-ZDUSSCGKSA-N 1 0 422.407 3.964 20 5 HHBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000439872738 983563851 /nfs/dbraw/zinc/56/38/51/983563851.db2.gz MSUJHMFGUSYCSS-MSOLQXFVSA-N 1 0 417.531 3.655 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000439888104 983571370 /nfs/dbraw/zinc/57/13/70/983571370.db2.gz MIXUKCIUKAWYGX-KRWDZBQOSA-N 1 0 402.451 3.854 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000440180834 983672345 /nfs/dbraw/zinc/67/23/45/983672345.db2.gz ADHDHVJJSKHWJY-MRXNPFEDSA-N 1 0 411.506 3.750 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000440912831 983968839 /nfs/dbraw/zinc/96/88/39/983968839.db2.gz OWEAKGHTQXCCCK-HLLBOEOZSA-N 1 0 409.490 3.518 20 5 HHBDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441467405 984266875 /nfs/dbraw/zinc/26/68/75/984266875.db2.gz ASFZXFCKEPCWLF-MAUKXSAKSA-N 1 0 415.519 3.586 20 5 HHBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CCC(C[NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000441924340 984543518 /nfs/dbraw/zinc/54/35/18/984543518.db2.gz LTKAJRUPSFOMFY-VWYCLODISA-N 1 0 416.566 3.927 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000461696938 984713766 /nfs/dbraw/zinc/71/37/66/984713766.db2.gz XFFQXUBRYDVDJW-HOTGVXAUSA-N 1 0 413.522 3.869 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1SC ZINC000462156973 985130562 /nfs/dbraw/zinc/13/05/62/985130562.db2.gz FHCOTBPCXFYRQO-WMLDXEAASA-N 1 0 415.515 3.576 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1C ZINC000462325131 985314800 /nfs/dbraw/zinc/31/48/00/985314800.db2.gz FOTGWIVSKQUKCL-HNAYVOBHSA-N 1 0 423.560 3.635 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nccn1Cc1ccccc1 ZINC000462769194 985705954 /nfs/dbraw/zinc/70/59/54/985705954.db2.gz XQAHRTGORKCUJO-HXUWFJFHSA-N 1 0 406.486 3.767 20 5 HHBDRO CCOC(=O)c1ccnc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000462869881 985794194 /nfs/dbraw/zinc/79/41/94/985794194.db2.gz IUNMTIDYEGZPIH-BBRMVZONSA-N 1 0 404.492 3.723 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000462984602 985932952 /nfs/dbraw/zinc/93/29/52/985932952.db2.gz BUENKAYVGSNHBO-LVCYWYKZSA-N 1 0 417.550 3.511 20 5 HHBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000463064987 986022177 /nfs/dbraw/zinc/02/21/77/986022177.db2.gz SDONXZAWYPCGRV-FQEVSTJZSA-N 1 0 422.529 3.789 20 5 HHBDRO CN1CCC(CNc2ccc(Br)cc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000463074193 986031014 /nfs/dbraw/zinc/03/10/14/986031014.db2.gz QFNDOKDLUWCHPI-UHFFFAOYSA-N 1 0 411.344 3.720 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000443958920 986165900 /nfs/dbraw/zinc/16/59/00/986165900.db2.gz NUIUZPDKFWQMOO-UHFFFAOYSA-N 1 0 404.511 3.616 20 5 HHBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444003492 986201045 /nfs/dbraw/zinc/20/10/45/986201045.db2.gz NYLPWSSXXWIGKQ-OAHLLOKOSA-N 1 0 411.452 3.706 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H](C)C1 ZINC000444020788 986213697 /nfs/dbraw/zinc/21/36/97/986213697.db2.gz LSCGFBFYUVFWRQ-UTKZUKDTSA-N 1 0 421.541 3.548 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000468619941 986336249 /nfs/dbraw/zinc/33/62/49/986336249.db2.gz IERQQSICCSJXDQ-ASNKMWSDSA-N 1 0 403.504 3.599 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C ZINC000468625118 986341664 /nfs/dbraw/zinc/34/16/64/986341664.db2.gz KGGJAYGXBRELRD-GZTJUZNOSA-N 1 0 417.531 3.616 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)s1 ZINC000468631058 986348047 /nfs/dbraw/zinc/34/80/47/986348047.db2.gz QFMFGGVWNHWGBZ-PTNGSMBKSA-N 1 0 423.560 3.880 20 5 HHBDRO COc1cccc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000444181728 986360729 /nfs/dbraw/zinc/36/07/29/986360729.db2.gz KMWSXPRBWOIVAT-UHFFFAOYSA-N 1 0 417.893 3.899 20 5 HHBDRO C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000463411933 986381173 /nfs/dbraw/zinc/38/11/73/986381173.db2.gz HAKATCYJNPWPCP-CYBMUJFWSA-N 1 0 407.392 3.790 20 5 HHBDRO CNC(=O)N[C@@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000468687501 986399616 /nfs/dbraw/zinc/39/96/16/986399616.db2.gz KAPBKSBUIOAGQH-CQSZACIVSA-N 1 0 404.854 3.544 20 5 HHBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444230564 986417542 /nfs/dbraw/zinc/41/75/42/986417542.db2.gz ZTUOYKAFBGHOPE-UHFFFAOYSA-N 1 0 405.523 3.947 20 5 HHBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000444230277 986417834 /nfs/dbraw/zinc/41/78/34/986417834.db2.gz YXDXFQGMMIFGPR-CQSZACIVSA-N 1 0 413.468 3.667 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000463444453 986423427 /nfs/dbraw/zinc/42/34/27/986423427.db2.gz RFTTVOKNFOKDAH-QHCPKHFHSA-N 1 0 411.502 3.549 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463451059 986432467 /nfs/dbraw/zinc/43/24/67/986432467.db2.gz FCQXASCEKKTEPZ-HIFRSBDPSA-N 1 0 403.401 3.985 20 5 HHBDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000444247710 986441109 /nfs/dbraw/zinc/44/11/09/986441109.db2.gz GQHOAHDPMBKOMQ-LJQANCHMSA-N 1 0 410.474 3.796 20 5 HHBDRO COc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000444292059 986478911 /nfs/dbraw/zinc/47/89/11/986478911.db2.gz JWGJNAQTKFMYFR-ICSRJNTNSA-N 1 0 409.486 3.730 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444320041 986501409 /nfs/dbraw/zinc/50/14/09/986501409.db2.gz STGJHBAHRBUKIQ-BXKMTCNYSA-N 1 0 411.505 3.932 20 5 HHBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000463712257 986698462 /nfs/dbraw/zinc/69/84/62/986698462.db2.gz UUYPHHQJUWDCJF-FQEVSTJZSA-N 1 0 420.849 3.852 20 5 HHBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cccc21 ZINC000469071502 986784095 /nfs/dbraw/zinc/78/40/95/986784095.db2.gz PRRQRIUKGNEZIF-MRXNPFEDSA-N 1 0 420.263 3.995 20 5 HHBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444644829 986830585 /nfs/dbraw/zinc/83/05/85/986830585.db2.gz YHCXLPMYFHAAST-WBMJQRKESA-N 1 0 418.519 3.981 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000444924179 987071203 /nfs/dbraw/zinc/07/12/03/987071203.db2.gz MXHAXDQVZMTETL-ACJLOTCBSA-N 1 0 404.492 3.870 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000444934693 987079244 /nfs/dbraw/zinc/07/92/44/987079244.db2.gz XWWUIPQCXZRDOW-UHFFFAOYSA-N 1 0 404.492 3.699 20 5 HHBDRO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000444958841 987094580 /nfs/dbraw/zinc/09/45/80/987094580.db2.gz JOWSDLLJSXDFTH-AOMKIAJQSA-N 1 0 401.510 3.770 20 5 HHBDRO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000444958843 987094601 /nfs/dbraw/zinc/09/46/01/987094601.db2.gz JOWSDLLJSXDFTH-OPAMFIHVSA-N 1 0 401.510 3.770 20 5 HHBDRO COc1cc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000469498516 987177244 /nfs/dbraw/zinc/17/72/44/987177244.db2.gz XZFWALHMOGLQEJ-MRXNPFEDSA-N 1 0 411.380 3.655 20 5 HHBDRO CNC(=O)c1ccc(NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000469552528 987223104 /nfs/dbraw/zinc/22/31/04/987223104.db2.gz SWBQYVKQWBZARM-QGZVFWFLSA-N 1 0 410.396 3.688 20 5 HHBDRO CC(C)c1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000469838749 987474385 /nfs/dbraw/zinc/47/43/85/987474385.db2.gz PIENPRBFQUEPKJ-HXUWFJFHSA-N 1 0 411.502 3.739 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000463920104 988029665 /nfs/dbraw/zinc/02/96/65/988029665.db2.gz LDFXHBRIVNBCFN-RDTXWAMCSA-N 1 0 403.454 3.926 20 5 HHBDRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470143742 988050418 /nfs/dbraw/zinc/05/04/18/988050418.db2.gz LQAKDHDFUMTBQY-UHFFFAOYSA-N 1 0 402.426 3.530 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000470145526 988052888 /nfs/dbraw/zinc/05/28/88/988052888.db2.gz WBDPKQKOTHROME-GJZGRUSLSA-N 1 0 416.453 3.665 20 5 HHBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000470154001 988064020 /nfs/dbraw/zinc/06/40/20/988064020.db2.gz BTIMOAVTHLDDIY-HRAATJIYSA-N 1 0 420.469 3.831 20 5 HHBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000470154003 988064364 /nfs/dbraw/zinc/06/43/64/988064364.db2.gz BTIMOAVTHLDDIY-IIBYNOLFSA-N 1 0 420.469 3.831 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000463965687 988077773 /nfs/dbraw/zinc/07/77/73/988077773.db2.gz ARBPNMOITIFIKM-UHFFFAOYSA-N 1 0 411.506 3.545 20 5 HHBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000470224972 988156014 /nfs/dbraw/zinc/15/60/14/988156014.db2.gz ZSWHUGMDDXPOOH-OAHLLOKOSA-N 1 0 400.504 3.522 20 5 HHBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000470363187 988327397 /nfs/dbraw/zinc/32/73/97/988327397.db2.gz NPARIHSLOIPWLU-DEOSSOPVSA-N 1 0 422.529 3.835 20 5 HHBDRO CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470671735 988694076 /nfs/dbraw/zinc/69/40/76/988694076.db2.gz ALWMGDSFKDDGBJ-OAQYLSRUSA-N 1 0 406.486 3.673 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000470677715 988702444 /nfs/dbraw/zinc/70/24/44/988702444.db2.gz KIVZPVGUHPWVAZ-AEFFLSMTSA-N 1 0 411.506 3.766 20 5 HHBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000464566143 988742802 /nfs/dbraw/zinc/74/28/02/988742802.db2.gz BVJXZXMOVFLORH-AWEZNQCLSA-N 1 0 416.444 3.606 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000464607021 988789173 /nfs/dbraw/zinc/78/91/73/988789173.db2.gz XSQAWXJNUXXDLF-GXTWGEPZSA-N 1 0 403.483 3.541 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000464607024 988789351 /nfs/dbraw/zinc/78/93/51/988789351.db2.gz XSQAWXJNUXXDLF-OCCSQVGLSA-N 1 0 403.483 3.541 20 5 HHBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000464673524 988872705 /nfs/dbraw/zinc/87/27/05/988872705.db2.gz VAHPRFUTPALMKF-MSOLQXFVSA-N 1 0 402.539 3.635 20 5 HHBDRO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000464772276 988995501 /nfs/dbraw/zinc/99/55/01/988995501.db2.gz IVDGXWGBUXOMSH-AAEUAGOBSA-N 1 0 416.341 3.902 20 5 HHBDRO CC[N@H+](C)C[C@H]1CCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000464788807 989019987 /nfs/dbraw/zinc/01/99/87/989019987.db2.gz BZXKJTPUHCIFCR-XMSQKQJNSA-N 1 0 410.518 3.857 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000470990515 989054344 /nfs/dbraw/zinc/05/43/44/989054344.db2.gz DOUPZOIBRUJTOX-AUUYWEPGSA-N 1 0 403.504 3.868 20 5 HHBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000465030279 989353963 /nfs/dbraw/zinc/35/39/63/989353963.db2.gz FCNMFCIUWRSJGQ-UHFFFAOYSA-N 1 0 411.458 3.533 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1SC ZINC000471274271 989424746 /nfs/dbraw/zinc/42/47/46/989424746.db2.gz VMLFORHYMASEOZ-MRXNPFEDSA-N 1 0 415.515 3.577 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000471279399 989432374 /nfs/dbraw/zinc/43/23/74/989432374.db2.gz ZBCOZQBSICTHDP-HNNXBMFYSA-N 1 0 418.291 3.609 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000471287835 989444544 /nfs/dbraw/zinc/44/45/44/989444544.db2.gz PTBFDEKDHHVACM-HNNXBMFYSA-N 1 0 418.291 3.609 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000471296551 989457679 /nfs/dbraw/zinc/45/76/79/989457679.db2.gz HHAIFCKDGGDAQH-CYBMUJFWSA-N 1 0 424.320 3.671 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471297083 989458577 /nfs/dbraw/zinc/45/85/77/989458577.db2.gz ITGQXHFPWDROAH-RDJZCZTQSA-N 1 0 417.893 3.654 20 5 HHBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000465379759 989732291 /nfs/dbraw/zinc/73/22/91/989732291.db2.gz UHNNRKPSFXCAIQ-UHFFFAOYSA-N 1 0 403.504 3.527 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000466137219 991319230 /nfs/dbraw/zinc/31/92/30/991319230.db2.gz AWNBNKRHIFQDRA-UHFFFAOYSA-N 1 0 404.898 3.564 20 5 HHBDRO Cc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1NC(=O)CC[NH+](C)C ZINC000466248801 991485392 /nfs/dbraw/zinc/48/53/92/991485392.db2.gz LBCRMNVXFKYXIW-AWEZNQCLSA-N 1 0 416.453 3.675 20 5 HHBDRO Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1NC(=O)CC[NH+](C)C ZINC000466276181 991521818 /nfs/dbraw/zinc/52/18/18/991521818.db2.gz XSBDAMIBDXPSOT-UHFFFAOYSA-N 1 0 410.430 3.792 20 5 HHBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000466282407 991529097 /nfs/dbraw/zinc/52/90/97/991529097.db2.gz DAEAKDAOKAITJB-UHFFFAOYSA-N 1 0 416.909 3.709 20 5 HHBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)N1CCCC1 ZINC000466389193 991678600 /nfs/dbraw/zinc/67/86/00/991678600.db2.gz BISJKTNIBUMUFH-LBPRGKRZSA-N 1 0 422.279 3.718 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000466474421 991765713 /nfs/dbraw/zinc/76/57/13/991765713.db2.gz OSTLXPFVHOSKJA-MRXNPFEDSA-N 1 0 407.392 3.813 20 5 HHBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466554837 991866601 /nfs/dbraw/zinc/86/66/01/991866601.db2.gz IRFBOUHGTAINFM-UHFFFAOYSA-N 1 0 402.882 3.843 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000466994003 992303172 /nfs/dbraw/zinc/30/31/72/992303172.db2.gz WKLQPHOMBGLOOJ-IBGZPJMESA-N 1 0 401.438 3.700 20 5 HHBDRO COCc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000467026128 992334005 /nfs/dbraw/zinc/33/40/05/992334005.db2.gz XDDKTDAWBFIYBT-QGZVFWFLSA-N 1 0 403.435 3.509 20 5 HHBDRO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467114116 992427008 /nfs/dbraw/zinc/42/70/08/992427008.db2.gz MQJISTVJLDHPJI-HNNXBMFYSA-N 1 0 411.355 3.757 20 5 HHBDRO COc1ccc(C2CC[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)cc1 ZINC000467183523 992505538 /nfs/dbraw/zinc/50/55/38/992505538.db2.gz WQEGVUIBCRYFDV-UHFFFAOYSA-N 1 0 411.458 3.781 20 5 HHBDRO C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000467214081 992538423 /nfs/dbraw/zinc/53/84/23/992538423.db2.gz DTENENWAZGTWNC-YJBOKZPZSA-N 1 0 416.909 3.958 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000467554446 992835073 /nfs/dbraw/zinc/83/50/73/992835073.db2.gz PIPXVPMUQGMANV-QGZVFWFLSA-N 1 0 406.870 3.868 20 5 HHBDRO C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 ZINC000481138790 993972741 /nfs/dbraw/zinc/97/27/41/993972741.db2.gz QIONVFQDAUUXEP-UHFFFAOYSA-N 1 0 402.882 3.684 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000481185212 994016654 /nfs/dbraw/zinc/01/66/54/994016654.db2.gz WJBBUPMJBGZGTJ-OXQOHEQNSA-N 1 0 407.474 3.645 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCc4cccc(F)c4F)CC3)nc2c1 ZINC000481189263 994021444 /nfs/dbraw/zinc/02/14/44/994021444.db2.gz LVXUBIXBGMFBCX-UHFFFAOYSA-N 1 0 401.417 3.504 20 5 HHBDRO CC(C)c1ccc(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000473180063 994045371 /nfs/dbraw/zinc/04/53/71/994045371.db2.gz BYPTWUQIIUSOOL-IAGOWNOFSA-N 1 0 403.523 3.680 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2[N+](=O)[O-])n1 ZINC000481256455 994079468 /nfs/dbraw/zinc/07/94/68/994079468.db2.gz SAZSYZOYIOECLK-HUUCEWRRSA-N 1 0 418.544 3.868 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000481326954 994146435 /nfs/dbraw/zinc/14/64/35/994146435.db2.gz DHQBSHRNVMNLQS-LJQANCHMSA-N 1 0 412.490 3.973 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000473295365 994148412 /nfs/dbraw/zinc/14/84/12/994148412.db2.gz QAOYEJMFVWQKRG-LJQANCHMSA-N 1 0 411.505 3.933 20 5 HHBDRO CC(C)C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCc2cccnc21 ZINC000481333078 994152430 /nfs/dbraw/zinc/15/24/30/994152430.db2.gz QKEARVWTSPLOLQ-FQEVSTJZSA-N 1 0 408.502 3.915 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)[C@H](OC)c1ccccc1Cl ZINC000481384370 994215682 /nfs/dbraw/zinc/21/56/82/994215682.db2.gz UXSYMOIWAKMBHV-BLVKFPJESA-N 1 0 407.854 3.561 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@H](OC)c1ccccc1Cl ZINC000481387457 994217925 /nfs/dbraw/zinc/21/79/25/994217925.db2.gz BVBCCFVQLGQUNE-XCLFUZPHSA-N 1 0 421.881 3.951 20 5 HHBDRO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000481516437 994346296 /nfs/dbraw/zinc/34/62/96/994346296.db2.gz NBVIVDNLHYWCKV-QIIPPGSGSA-N 1 0 418.519 3.528 20 5 HHBDRO COc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000473509741 994361095 /nfs/dbraw/zinc/36/10/95/994361095.db2.gz SYXLCTXHUSKWPU-HSZRJFAPSA-N 1 0 409.486 3.732 20 5 HHBDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000473517134 994370848 /nfs/dbraw/zinc/37/08/48/994370848.db2.gz GQEXMALVWGCQJF-UHFFFAOYSA-N 1 0 410.396 3.611 20 5 HHBDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000473521746 994376867 /nfs/dbraw/zinc/37/68/67/994376867.db2.gz RILGWGHZFLDQRQ-UHFFFAOYSA-N 1 0 422.407 3.678 20 5 HHBDRO Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000481638875 994504389 /nfs/dbraw/zinc/50/43/89/994504389.db2.gz HDBNHCNXJFMBGJ-UHFFFAOYSA-N 1 0 410.518 3.923 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000473694424 994585051 /nfs/dbraw/zinc/58/50/51/994585051.db2.gz XKESMDDRFPPTRK-HOTGVXAUSA-N 1 0 412.490 3.882 20 5 HHBDRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000481734962 994592584 /nfs/dbraw/zinc/59/25/84/994592584.db2.gz LHKBDGAPEUTNAU-MRXNPFEDSA-N 1 0 417.531 3.708 20 5 HHBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481868209 994729967 /nfs/dbraw/zinc/72/99/67/994729967.db2.gz ZXMGQARLKKWCMF-UNMCSNQZSA-N 1 0 422.529 3.910 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000481880564 994744877 /nfs/dbraw/zinc/74/48/77/994744877.db2.gz DRCGSXYOXGUMCR-WIYYLYMNSA-N 1 0 409.486 3.730 20 5 HHBDRO C[N@@H+]1CCC[C@@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])CC[C@@H]21 ZINC000481984974 994883002 /nfs/dbraw/zinc/88/30/02/994883002.db2.gz OLZIEVFSCPRUOT-WBMJQRKESA-N 1 0 405.296 3.826 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482292655 995271764 /nfs/dbraw/zinc/27/17/64/995271764.db2.gz GQUDGYZFOBDVPW-IFMALSPDSA-N 1 0 408.502 3.791 20 5 HHBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cc(C[NH+](C)C)ccn3)cc2[N+](=O)[O-])C1 ZINC000482361140 995342796 /nfs/dbraw/zinc/34/27/96/995342796.db2.gz GDFLHCPTXZWLPF-HZPDHXFCSA-N 1 0 411.506 3.786 20 5 HHBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1Oc1ccccc1 ZINC000482492172 995502270 /nfs/dbraw/zinc/50/22/70/995502270.db2.gz SROFCVJHKNATFO-MQSCRBSSSA-N 1 0 422.485 3.710 20 5 HHBDRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482495126 995505994 /nfs/dbraw/zinc/50/59/94/995505994.db2.gz HRVJTABNKIOTNY-LSDHHAIUSA-N 1 0 404.488 3.866 20 5 HHBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000482498749 995509910 /nfs/dbraw/zinc/50/99/10/995509910.db2.gz BUSDYFHJBLKZCH-XJUOHMSHSA-N 1 0 422.485 3.730 20 5 HHBDRO Cc1cccc(CC2(O)CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000482937560 995866611 /nfs/dbraw/zinc/86/66/11/995866611.db2.gz PNNSEHLFTLAIQU-UHFFFAOYSA-N 1 0 411.502 3.610 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000482990838 995905416 /nfs/dbraw/zinc/90/54/16/995905416.db2.gz WLLQSVHCGWKLMG-GFCCVEGCSA-N 1 0 407.268 3.740 20 5 HHBDRO CC[NH+]1CCN(c2cccc(NCc3cc([N+](=O)[O-])ccc3OC(F)F)c2)CC1 ZINC000475090464 995915437 /nfs/dbraw/zinc/91/54/37/995915437.db2.gz QCMDGYSZGNLUKW-UHFFFAOYSA-N 1 0 406.433 3.950 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475101735 995922583 /nfs/dbraw/zinc/92/25/83/995922583.db2.gz DYHYRHYCVJSXJU-HSZRJFAPSA-N 1 0 408.502 3.793 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000483239336 996054644 /nfs/dbraw/zinc/05/46/44/996054644.db2.gz LWLJLCIMNHKDEF-FQEVSTJZSA-N 1 0 408.502 3.907 20 5 HHBDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000475426955 996130864 /nfs/dbraw/zinc/13/08/64/996130864.db2.gz FDDHKQJHMCFVRU-QGZVFWFLSA-N 1 0 401.438 3.874 20 5 HHBDRO COC(=O)COc1ccc(C[N@H+](C)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000475582650 996230416 /nfs/dbraw/zinc/23/04/16/996230416.db2.gz LHLXXFBEWWKPEO-UHFFFAOYSA-N 1 0 423.263 3.541 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000475713858 996317181 /nfs/dbraw/zinc/31/71/81/996317181.db2.gz FSJUEHASQRJTHJ-SZNDQCEHSA-N 1 0 402.422 3.869 20 5 HHBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](Cc2ccccn2)c2ccc(Br)cc2)n1 ZINC000475748318 996346033 /nfs/dbraw/zinc/34/60/33/996346033.db2.gz KUVMHPUYVGIYGY-QGZVFWFLSA-N 1 0 416.279 3.522 20 5 HHBDRO Cc1c(CNC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)cccc1[N+](=O)[O-] ZINC000483813317 996404683 /nfs/dbraw/zinc/40/46/83/996404683.db2.gz CRBPAZQEBJSOEG-INIZCTEOSA-N 1 0 424.501 3.518 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000484291258 996682897 /nfs/dbraw/zinc/68/28/97/996682897.db2.gz MOELQPBUKADJDF-QGZVFWFLSA-N 1 0 407.474 3.541 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000484347912 996719505 /nfs/dbraw/zinc/71/95/05/996719505.db2.gz HQNNDCGZOYHFMP-OAHLLOKOSA-N 1 0 403.401 3.842 20 5 HHBDRO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000484650242 996985563 /nfs/dbraw/zinc/98/55/63/996985563.db2.gz RUSJZMMBVYRHAB-WAOWUJCRSA-N 1 0 400.475 3.623 20 5 HHBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477054133 997697435 /nfs/dbraw/zinc/69/74/35/997697435.db2.gz DIWNCDCXPXBHJL-UHFFFAOYSA-N 1 0 408.502 3.521 20 5 HHBDRO O=C(CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)Nc1ccccc1[N+](=O)[O-] ZINC000477069150 997717770 /nfs/dbraw/zinc/71/77/70/997717770.db2.gz AYTVSTRUBVDIJG-QHCPKHFHSA-N 1 0 408.502 3.521 20 5 HHBDRO O=C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000485333659 997749642 /nfs/dbraw/zinc/74/96/42/997749642.db2.gz APTDFXGTURMWFB-TZIWHRDSSA-N 1 0 408.502 3.520 20 5 HHBDRO Cc1ccc(S(=O)(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000477097319 997751716 /nfs/dbraw/zinc/75/17/16/997751716.db2.gz FBDCVLFASMHUIA-QGZVFWFLSA-N 1 0 409.552 3.568 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000477103882 997757202 /nfs/dbraw/zinc/75/72/02/997757202.db2.gz VEWXFTUAJFIFEY-KRWDZBQOSA-N 1 0 409.552 3.568 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000477142063 997798289 /nfs/dbraw/zinc/79/82/89/997798289.db2.gz VRZYYKRFUXMDMU-KRWDZBQOSA-N 1 0 414.550 3.968 20 5 HHBDRO O=[N+]([O-])c1ccc(N2CCC(CC[NH+]3CCOCC3)CC2)nc1-c1ccc(F)cc1 ZINC000485394256 997822415 /nfs/dbraw/zinc/82/24/15/997822415.db2.gz USBQTPMDCPXRJB-UHFFFAOYSA-N 1 0 414.481 3.735 20 5 HHBDRO COc1cc(C(=O)N2CC[NH2+]C(C)(C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000477315966 998003741 /nfs/dbraw/zinc/00/37/41/998003741.db2.gz BAXMADUIDGPTLE-UHFFFAOYSA-N 1 0 419.865 3.873 20 5 HHBDRO CC1CC[NH+](Cc2ccc(CNC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000485624246 998071716 /nfs/dbraw/zinc/07/17/16/998071716.db2.gz HYPIUMBUPCNCKR-UHFFFAOYSA-N 1 0 417.456 3.964 20 5 HHBDRO C[NH+](C)CCn1ncc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)c1-c1ccccc1 ZINC000485744481 998215288 /nfs/dbraw/zinc/21/52/88/998215288.db2.gz UZYFZOVSRSHGJB-UHFFFAOYSA-N 1 0 419.485 3.613 20 5 HHBDRO CC1CC[NH+]([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)c2cccs2)CC1 ZINC000477500099 998221849 /nfs/dbraw/zinc/22/18/49/998221849.db2.gz OOHLCLKDNSTYON-SFHVURJKSA-N 1 0 405.495 3.927 20 5 HHBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000485791830 998262382 /nfs/dbraw/zinc/26/23/82/998262382.db2.gz WAQBQOMAGPCHCH-UHFFFAOYSA-N 1 0 422.485 3.632 20 5 HHBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000486009122 998453432 /nfs/dbraw/zinc/45/34/32/998453432.db2.gz SBVQYSIMCKXDQW-UHFFFAOYSA-N 1 0 409.458 3.505 20 5 HHBDRO COC(=O)c1cnc(NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000477725138 998453558 /nfs/dbraw/zinc/45/35/58/998453558.db2.gz JGLJYQBDZBBXMM-OAHLLOKOSA-N 1 0 412.368 3.510 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000477933634 998666209 /nfs/dbraw/zinc/66/62/09/998666209.db2.gz TWFGBWTXLIEUSR-ROUUACIJSA-N 1 0 417.506 3.995 20 5 HHBDRO O=C(Cc1ccccc1[N+](=O)[O-])N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000477983740 998698678 /nfs/dbraw/zinc/69/86/78/998698678.db2.gz MBZWQTQNTYSBME-UHFFFAOYSA-N 1 0 401.894 3.915 20 5 HHBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000486333166 998716381 /nfs/dbraw/zinc/71/63/81/998716381.db2.gz HTPLLNMMVTYPJB-WIYYLYMNSA-N 1 0 409.486 3.730 20 5 HHBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000486393265 998744395 /nfs/dbraw/zinc/74/43/95/998744395.db2.gz JISSWWYXEAVAJR-DOMZBBRYSA-N 1 0 421.856 3.994 20 5 HHBDRO Cn1c(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000486560491 998826078 /nfs/dbraw/zinc/82/60/78/998826078.db2.gz BSANTUPKPUDJLK-SFHVURJKSA-N 1 0 406.433 3.557 20 5 HHBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000478297488 998872015 /nfs/dbraw/zinc/87/20/15/998872015.db2.gz OPHJBEYBPDTRAB-IAGOWNOFSA-N 1 0 411.506 3.577 20 5 HHBDRO COC(=O)c1cc(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486856883 998976538 /nfs/dbraw/zinc/97/65/38/998976538.db2.gz IOQOXWFFOYAPSU-GJZGRUSLSA-N 1 0 420.510 3.569 20 5 HHBDRO COC(=O)c1cc(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486856884 998976636 /nfs/dbraw/zinc/97/66/36/998976636.db2.gz IOQOXWFFOYAPSU-HUUCEWRRSA-N 1 0 420.510 3.569 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1SC ZINC000486954801 999018051 /nfs/dbraw/zinc/01/80/51/999018051.db2.gz LVHZNEGRQHIGPY-KBPBESRZSA-N 1 0 409.552 3.812 20 5 HHBDRO C[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000478589933 999037297 /nfs/dbraw/zinc/03/72/97/999037297.db2.gz JXQDBBAVTABITJ-CHWSQXEVSA-N 1 0 403.401 3.529 20 5 HHBDRO C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487285112 999124280 /nfs/dbraw/zinc/12/42/80/999124280.db2.gz HPOKNCHHPWNBBP-QFBILLFUSA-N 1 0 408.502 3.810 20 5 HHBDRO CC(C)(NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000487532255 999208530 /nfs/dbraw/zinc/20/85/30/999208530.db2.gz ZEPRTJYZPLAIRR-GOSISDBHSA-N 1 0 400.479 3.949 20 5 HHBDRO Cc1ccc([C@H](C)NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1[N+](=O)[O-] ZINC000487721876 999265448 /nfs/dbraw/zinc/26/54/48/999265448.db2.gz DUIIHMSLGAZYOY-KRWDZBQOSA-N 1 0 411.506 3.846 20 5 HHBDRO Cc1ccc([C@@H](C)NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cc1[N+](=O)[O-] ZINC000488065782 999364807 /nfs/dbraw/zinc/36/48/07/999364807.db2.gz NTJVQSGUVWERMF-GOSISDBHSA-N 1 0 410.518 3.925 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000488103424 999377225 /nfs/dbraw/zinc/37/72/25/999377225.db2.gz OUHAYYYLHNHRMB-HXUWFJFHSA-N 1 0 408.502 3.907 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000488482173 999502671 /nfs/dbraw/zinc/50/26/71/999502671.db2.gz RBMRHNZDXZKRLU-UTKZUKDTSA-N 1 0 406.486 3.576 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000488507100 999511576 /nfs/dbraw/zinc/51/15/76/999511576.db2.gz VWGTUZBLHVBGTP-PGRDOPGGSA-N 1 0 410.518 3.814 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000488679798 999569641 /nfs/dbraw/zinc/56/96/41/999569641.db2.gz YHCJVORDFAZHAB-UHFFFAOYSA-N 1 0 408.502 3.906 20 5 HHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000488839141 999623658 /nfs/dbraw/zinc/62/36/58/999623658.db2.gz MTQBYHQAHPWHBO-MRXNPFEDSA-N 1 0 421.563 3.812 20 5 HHBDRO C[NH+](C)C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488904721 999642244 /nfs/dbraw/zinc/64/22/44/999642244.db2.gz CJEQWJCHVJUNLN-HNNXBMFYSA-N 1 0 411.886 3.899 20 5 HHBDRO CCCC[N@H+](C)CCNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000488920363 999647313 /nfs/dbraw/zinc/64/73/13/999647313.db2.gz XNLJYPCDYAWJSG-UHFFFAOYSA-N 1 0 408.549 3.973 20 5 HHBDRO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc2ccccc2c1 ZINC000489002653 999669073 /nfs/dbraw/zinc/66/90/73/999669073.db2.gz AKFDABZGWYRKIH-IRXDYDNUSA-N 1 0 421.501 3.847 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000489103513 999700529 /nfs/dbraw/zinc/70/05/29/999700529.db2.gz PAZCXIBOPNLLEG-WBVHZDCISA-N 1 0 417.531 3.549 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000489258954 999732041 /nfs/dbraw/zinc/73/20/41/999732041.db2.gz UVBVVVAECQVNJZ-UHFFFAOYSA-N 1 0 421.563 3.527 20 5 HHBDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000480330479 999773012 /nfs/dbraw/zinc/77/30/12/999773012.db2.gz RAIDSEBXYFVUFR-KRWDZBQOSA-N 1 0 417.531 3.716 20 5 HHBDRO COCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1scnc1C ZINC000489505081 999780077 /nfs/dbraw/zinc/78/00/77/999780077.db2.gz BQGOFBOHQAXBAB-UHFFFAOYSA-N 1 0 402.476 3.706 20 5 HHBDRO COc1cccc([C@H](CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000489892903 999856891 /nfs/dbraw/zinc/85/68/91/999856891.db2.gz SMHQMDBBVIHSBD-YWZLYKJASA-N 1 0 400.479 3.575 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC)[C@@H](C)C1 ZINC000489980914 999872695 /nfs/dbraw/zinc/87/26/95/999872695.db2.gz KROYARBRYREZFE-YJBOKZPZSA-N 1 0 409.552 3.574 20 5 HHBDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000490090305 999891625 /nfs/dbraw/zinc/89/16/25/999891625.db2.gz UDCOEYMPFJQGPR-HNNXBMFYSA-N 1 0 417.428 3.616 20 5 HHBDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000490184800 999906795 /nfs/dbraw/zinc/90/67/95/999906795.db2.gz ONYVHKSGCVSMMM-UHFFFAOYSA-N 1 0 411.911 3.569 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000490227089 999915574 /nfs/dbraw/zinc/91/55/74/999915574.db2.gz LCXVRGICRIDALA-BBTUJRGHSA-N 1 0 411.502 3.906 20 5 HHBDRO COc1cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490593626 999981745 /nfs/dbraw/zinc/98/17/45/999981745.db2.gz WHFWLWFVZDSAQR-HNNXBMFYSA-N 1 0 413.465 3.555 20 5 HHBDRO COc1cc(CNC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491059158 1000040667 /nfs/dbraw/zinc/04/06/67/1000040667.db2.gz JRMAFFUSUZDSFN-UHFFFAOYSA-N 1 0 401.454 3.600 20 5 HHBDRO COc1cc(C[N@H+](C[C@@H](C)O)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491069900 1000041964 /nfs/dbraw/zinc/04/19/64/1000041964.db2.gz YYTBAAQJYPRIIM-CYBMUJFWSA-N 1 0 402.438 3.763 20 5 HHBDRO Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000493128996 1000158836 /nfs/dbraw/zinc/15/88/36/1000158836.db2.gz DUYGVJYPMGMNPU-MRXNPFEDSA-N 1 0 402.470 3.877 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(c1ccccc1)C1CC[NH+](C)CC1 ZINC000493332048 1000169217 /nfs/dbraw/zinc/16/92/17/1000169217.db2.gz ADLXJJBIWCNUFK-UHFFFAOYSA-N 1 0 403.504 3.501 20 5 HHBDRO Cc1cc(C)c(S(=O)(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000493916486 1000212591 /nfs/dbraw/zinc/21/25/91/1000212591.db2.gz KGLHZJCTEOKMHO-QGZVFWFLSA-N 1 0 417.531 3.716 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCc3cc[nH]c(=O)c3C2)cc1OC ZINC000494069870 1000293466 /nfs/dbraw/zinc/29/34/66/1000293466.db2.gz SHKNAQXYSUQBHX-AWEZNQCLSA-N 1 0 401.463 3.687 20 5 HHBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000494477916 1000513534 /nfs/dbraw/zinc/51/35/34/1000513534.db2.gz YIGVQWSHVONUFV-LLVKDONJSA-N 1 0 417.409 3.836 20 5 HHBDRO O=C(CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000494477611 1000513748 /nfs/dbraw/zinc/51/37/48/1000513748.db2.gz SQABAFDERBKEEK-IEBWSBKVSA-N 1 0 407.829 3.836 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494478590 1000514545 /nfs/dbraw/zinc/51/45/45/1000514545.db2.gz SWVMYFSREOWUDH-KXBFYZLASA-N 1 0 407.829 3.754 20 5 HHBDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000494481267 1000515654 /nfs/dbraw/zinc/51/56/54/1000515654.db2.gz FIGAIXOYKAORRI-UHFFFAOYSA-N 1 0 403.504 3.583 20 5 HHBDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC000494491917 1000521498 /nfs/dbraw/zinc/52/14/98/1000521498.db2.gz FDKQFDCPHZYKHJ-UHFFFAOYSA-N 1 0 417.531 3.891 20 5 HHBDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494495177 1000523639 /nfs/dbraw/zinc/52/36/39/1000523639.db2.gz MKZPJCSEPWVLNK-NBHSMZAVSA-N 1 0 407.829 3.834 20 5 HHBDRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494511709 1000532861 /nfs/dbraw/zinc/53/28/61/1000532861.db2.gz IQYBPWUDUMDYGI-SECBINFHSA-N 1 0 407.190 3.751 20 5 HHBDRO C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@@H+]1CCCC[C@@H]1C ZINC000494687608 1000604572 /nfs/dbraw/zinc/60/45/72/1000604572.db2.gz FJKXIWWIWMSGKX-QWHCGFSZSA-N 1 0 402.417 3.676 20 5 HHBDRO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000494900621 1000720429 /nfs/dbraw/zinc/72/04/29/1000720429.db2.gz AXUBDHPRLMTPPS-CQSZACIVSA-N 1 0 416.503 3.548 20 5 HHBDRO C[N@H+](C[C@H]1CCOC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000494964330 1000755330 /nfs/dbraw/zinc/75/53/30/1000755330.db2.gz OLACKJRMUCZERC-AUUYWEPGSA-N 1 0 403.866 3.896 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000495408975 1001002647 /nfs/dbraw/zinc/00/26/47/1001002647.db2.gz VFRLCRBQNZAMJG-IRXDYDNUSA-N 1 0 423.579 3.962 20 5 HHBDRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000505814578 1001040727 /nfs/dbraw/zinc/04/07/27/1001040727.db2.gz XEUOQCKRWPSVKD-UHFFFAOYSA-N 1 0 414.437 3.801 20 5 HHBDRO CCOc1cc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])cc1OC ZINC000505946226 1001119131 /nfs/dbraw/zinc/11/91/31/1001119131.db2.gz FUQMKVCVIHQTPW-DLBZAZTESA-N 1 0 419.522 3.729 20 5 HHBDRO CNC(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000506272986 1001321579 /nfs/dbraw/zinc/32/15/79/1001321579.db2.gz OOFHKPRIYZEIAM-UHFFFAOYSA-N 1 0 422.279 3.575 20 5 HHBDRO C[N@@H+]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](c2ccccc2)C1 ZINC000497416862 1001351239 /nfs/dbraw/zinc/35/12/39/1001351239.db2.gz LJUXYCVXBGHNTR-ROUUACIJSA-N 1 0 408.483 3.546 20 5 HHBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000497602544 1001455004 /nfs/dbraw/zinc/45/50/04/1001455004.db2.gz HTPQRYRVVFMNER-UHFFFAOYSA-N 1 0 400.523 3.579 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497660264 1001475879 /nfs/dbraw/zinc/47/58/79/1001475879.db2.gz CCACTLXMWVWMGM-UHFFFAOYSA-N 1 0 415.515 3.917 20 5 HHBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)c1 ZINC000506762431 1001517862 /nfs/dbraw/zinc/51/78/62/1001517862.db2.gz RKSSNMDCLLWUNN-UHFFFAOYSA-N 1 0 408.462 3.578 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000506896710 1001585345 /nfs/dbraw/zinc/58/53/45/1001585345.db2.gz UZGLCUGIPQBSAA-DLBZAZTESA-N 1 0 411.506 3.767 20 5 HHBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000498125315 1001652396 /nfs/dbraw/zinc/65/23/96/1001652396.db2.gz JWOJJFAUWMFZHQ-SFHVURJKSA-N 1 0 420.897 3.910 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498165399 1001670992 /nfs/dbraw/zinc/67/09/92/1001670992.db2.gz HZIJHZDKKOCKDY-UHFFFAOYSA-N 1 0 411.380 3.539 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498187292 1001679679 /nfs/dbraw/zinc/67/96/79/1001679679.db2.gz GJFRXWMWRAHIRV-UHFFFAOYSA-N 1 0 408.483 3.944 20 5 HHBDRO C[NH+](C)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000498330851 1001780497 /nfs/dbraw/zinc/78/04/97/1001780497.db2.gz WOCZJOZPTXKMBQ-UHFFFAOYSA-N 1 0 413.474 3.570 20 5 HHBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000507104249 1001811740 /nfs/dbraw/zinc/81/17/40/1001811740.db2.gz PPBVXIABZQNCMZ-UHFFFAOYSA-N 1 0 406.486 3.857 20 5 HHBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000498489108 1001915895 /nfs/dbraw/zinc/91/58/95/1001915895.db2.gz MRWDUORVJSLBQB-QGZVFWFLSA-N 1 0 422.957 3.944 20 5 HHBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000507229546 1001916287 /nfs/dbraw/zinc/91/62/87/1001916287.db2.gz MRTLKCBRHXCTMQ-NSHDSACASA-N 1 0 418.302 3.531 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCC(Nc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000507251409 1001935103 /nfs/dbraw/zinc/93/51/03/1001935103.db2.gz IWIGQZWRMDWNLR-UHFFFAOYSA-N 1 0 400.454 3.947 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CCC(CC[NH+](C)C)CC3)cc2[N+](=O)[O-])CC1 ZINC000498636582 1002037979 /nfs/dbraw/zinc/03/79/79/1002037979.db2.gz BXWXHRRCZGQEED-UHFFFAOYSA-N 1 0 402.539 3.635 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000507387628 1002041587 /nfs/dbraw/zinc/04/15/87/1002041587.db2.gz HGPBPFVWQAPPBW-SZMVWBNQSA-N 1 0 409.490 3.520 20 5 HHBDRO Cc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c([N+](=O)[O-])c1 ZINC000507559378 1002164647 /nfs/dbraw/zinc/16/46/47/1002164647.db2.gz DBYUXPNDODVSEX-UHFFFAOYSA-N 1 0 417.531 3.614 20 5 HHBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000507647902 1002247862 /nfs/dbraw/zinc/24/78/62/1002247862.db2.gz IOSHGMITKQXDLN-UHFFFAOYSA-N 1 0 411.502 3.990 20 5 HHBDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000499070181 1002454834 /nfs/dbraw/zinc/45/48/34/1002454834.db2.gz HGPHFUKQIMUADC-STQMWFEESA-N 1 0 414.853 3.507 20 5 HHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000499070180 1002454972 /nfs/dbraw/zinc/45/49/72/1002454972.db2.gz HGPHFUKQIMUADC-QWHCGFSZSA-N 1 0 414.853 3.507 20 5 HHBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000507938629 1002472751 /nfs/dbraw/zinc/47/27/51/1002472751.db2.gz GSHZHVPMFFRKQV-UHFFFAOYSA-N 1 0 420.517 3.739 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000499182763 1002572567 /nfs/dbraw/zinc/57/25/67/1002572567.db2.gz BNXNXASSNJQYIY-CYBMUJFWSA-N 1 0 420.560 3.973 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)NCCCCC[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000508212045 1002743896 /nfs/dbraw/zinc/74/38/96/1002743896.db2.gz WOXDOHWVAUFWCZ-SFHVURJKSA-N 1 0 402.539 3.827 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000499530295 1002917619 /nfs/dbraw/zinc/91/76/19/1002917619.db2.gz SHNIWZLTHXTCMV-UZLBHIALSA-N 1 0 404.470 3.783 20 5 HHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000508574445 1003038466 /nfs/dbraw/zinc/03/84/66/1003038466.db2.gz YZYHAIZZFOJBMA-HXUWFJFHSA-N 1 0 421.419 3.708 20 5 HHBDRO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000499764198 1003102384 /nfs/dbraw/zinc/10/23/84/1003102384.db2.gz YHKWMOOIWICUQM-GOSISDBHSA-N 1 0 420.554 3.744 20 5 HHBDRO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000500076285 1003430323 /nfs/dbraw/zinc/43/03/23/1003430323.db2.gz SPUAOYQIOHIFGX-OAQYLSRUSA-N 1 0 411.437 3.517 20 5 HHBDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C(C)C)cc1 ZINC000500397103 1003692043 /nfs/dbraw/zinc/69/20/43/1003692043.db2.gz BJWYWDPOPLIMFB-FQEVSTJZSA-N 1 0 415.490 3.512 20 5 HHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000509309587 1003699104 /nfs/dbraw/zinc/69/91/04/1003699104.db2.gz HICWTHOHJHTYAC-UHFFFAOYSA-N 1 0 414.506 3.655 20 5 HHBDRO C[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511824640 1003794597 /nfs/dbraw/zinc/79/45/97/1003794597.db2.gz RVKGPZZDLHDEHE-GHTZIAJQSA-N 1 0 410.518 3.689 20 5 HHBDRO COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000511831599 1003805139 /nfs/dbraw/zinc/80/51/39/1003805139.db2.gz ITXBRHAGCHGBAR-INIZCTEOSA-N 1 0 423.391 3.627 20 5 HHBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000500617369 1003834346 /nfs/dbraw/zinc/83/43/46/1003834346.db2.gz KVBGHNDATFAYKA-RBSFLKMASA-N 1 0 402.520 3.815 20 5 HHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000509465598 1003883483 /nfs/dbraw/zinc/88/34/83/1003883483.db2.gz VBZBDXNEOOMUSV-SFHVURJKSA-N 1 0 410.518 3.962 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000512004615 1003948412 /nfs/dbraw/zinc/94/84/12/1003948412.db2.gz AZVRCASQGQOTDV-CQSZACIVSA-N 1 0 400.454 3.621 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H](C)CN3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000509569000 1003950544 /nfs/dbraw/zinc/95/05/44/1003950544.db2.gz LKMLPEXKMXCISN-QGZVFWFLSA-N 1 0 401.532 3.865 20 5 HHBDRO COc1cc(C[NH2+]Cc2cccnc2N(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509604603 1003974074 /nfs/dbraw/zinc/97/40/74/1003974074.db2.gz VWDLKCJLTQLXCE-UHFFFAOYSA-N 1 0 422.485 3.933 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCCC34CC[NH+](C)CC4)cc2[N+](=O)[O-])C1 ZINC000509606809 1003975420 /nfs/dbraw/zinc/97/54/20/1003975420.db2.gz DNPCPGIQJSVWQT-QGZVFWFLSA-N 1 0 400.523 3.532 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-])c1ccccn1 ZINC000509657237 1004009148 /nfs/dbraw/zinc/00/91/48/1004009148.db2.gz LFLGJXNHESKOSZ-KRWDZBQOSA-N 1 0 423.517 3.863 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000509663889 1004013346 /nfs/dbraw/zinc/01/33/46/1004013346.db2.gz GWHORTMJLWRNNC-UHFFFAOYSA-N 1 0 410.312 3.614 20 5 HHBDRO Cc1c(Br)cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000509694662 1004034929 /nfs/dbraw/zinc/03/49/29/1004034929.db2.gz BCWPLAMHNASKHB-UHFFFAOYSA-N 1 0 422.279 3.858 20 5 HHBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000512121952 1004037534 /nfs/dbraw/zinc/03/75/34/1004037534.db2.gz KLEITMVFVWOUAH-UHFFFAOYSA-N 1 0 410.518 3.691 20 5 HHBDRO Cc1c(Br)cc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000509702557 1004038343 /nfs/dbraw/zinc/03/83/43/1004038343.db2.gz ZDSPVVKEGXADSE-ZDUSSCGKSA-N 1 0 412.328 3.908 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000512143009 1004053560 /nfs/dbraw/zinc/05/35/60/1004053560.db2.gz PHTBXWSGXHJKEA-HNNXBMFYSA-N 1 0 411.458 3.776 20 5 HHBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000509767169 1004082395 /nfs/dbraw/zinc/08/23/95/1004082395.db2.gz SOAVCUNQTZNLIE-MRXNPFEDSA-N 1 0 408.458 3.688 20 5 HHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000509799102 1004105423 /nfs/dbraw/zinc/10/54/23/1004105423.db2.gz OVBDAUBKSSMVLD-FQEVSTJZSA-N 1 0 402.470 3.957 20 5 HHBDRO COc1ccc(OCCN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000512280090 1004181463 /nfs/dbraw/zinc/18/14/63/1004181463.db2.gz UVOYCYUGUDPNLK-HSZRJFAPSA-N 1 0 411.502 3.580 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000512296998 1004200609 /nfs/dbraw/zinc/20/06/09/1004200609.db2.gz YHGVQJPFNNMSMU-AWEZNQCLSA-N 1 0 418.444 3.506 20 5 HHBDRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000501179433 1004259115 /nfs/dbraw/zinc/25/91/15/1004259115.db2.gz PRQVPOMJKFSHDL-UHFFFAOYSA-N 1 0 424.350 3.644 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](CNC(=O)C(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000512464361 1004323350 /nfs/dbraw/zinc/32/33/50/1004323350.db2.gz WUMMVGIRUWLSRU-MRXNPFEDSA-N 1 0 415.490 3.848 20 5 HHBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512522493 1004358700 /nfs/dbraw/zinc/35/87/00/1004358700.db2.gz VFBUTXAWCSWYMU-FUHWJXTLSA-N 1 0 413.522 3.512 20 5 HHBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000512857660 1004619256 /nfs/dbraw/zinc/61/92/56/1004619256.db2.gz SDPQKWNNWGGUCS-WMLDXEAASA-N 1 0 423.560 3.521 20 5 HHBDRO COc1cc(C[NH2+]C[C@H]2CCOC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512885335 1004648539 /nfs/dbraw/zinc/64/85/39/1004648539.db2.gz OGKSDUKIZISKEO-QFBILLFUSA-N 1 0 400.475 3.945 20 5 HHBDRO CCOc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000510526521 1004656059 /nfs/dbraw/zinc/65/60/59/1004656059.db2.gz PNUUCVUNRZABHL-VFNWGFHPSA-N 1 0 415.490 3.732 20 5 HHBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000512898413 1004666631 /nfs/dbraw/zinc/66/66/31/1004666631.db2.gz BRGCKAPSHSOSFB-CRAIPNDOSA-N 1 0 423.560 3.521 20 5 HHBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[NH+](C)C ZINC000510550487 1004685625 /nfs/dbraw/zinc/68/56/25/1004685625.db2.gz NPBIGJJRBUNGHW-IERDGZPVSA-N 1 0 407.474 3.510 20 5 HHBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000510556591 1004696134 /nfs/dbraw/zinc/69/61/34/1004696134.db2.gz YNVFUJVZUGYLCM-MWTRTKDXSA-N 1 0 422.485 3.638 20 5 HHBDRO COc1cc(CN2CCC[N@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000501875594 1004790728 /nfs/dbraw/zinc/79/07/28/1004790728.db2.gz REMHGZWIRYVJGU-UHFFFAOYSA-N 1 0 421.444 3.913 20 5 HHBDRO O=C(NC1CC1)c1ccc(NC2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000513151267 1004833353 /nfs/dbraw/zinc/83/33/53/1004833353.db2.gz VFUKUDWYHGJEQU-UHFFFAOYSA-N 1 0 408.502 3.606 20 5 HHBDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000501974313 1004840018 /nfs/dbraw/zinc/84/00/18/1004840018.db2.gz UEKJYUWPDIYYDQ-HZPDHXFCSA-N 1 0 423.473 3.781 20 5 HHBDRO O=C(C[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000513196795 1004855683 /nfs/dbraw/zinc/85/56/83/1004855683.db2.gz QZJRDCLLTPBGLW-IBGZPJMESA-N 1 0 423.391 3.544 20 5 HHBDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1)C1CC1 ZINC000510838339 1004884506 /nfs/dbraw/zinc/88/45/06/1004884506.db2.gz OXIUCICWGCCIPF-UHFFFAOYSA-N 1 0 408.502 3.542 20 5 HHBDRO O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000510929527 1004938931 /nfs/dbraw/zinc/93/89/31/1004938931.db2.gz MMAIKWSHCOIYNS-KAGYGMCKSA-N 1 0 423.513 3.576 20 5 HHBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510955214 1004952362 /nfs/dbraw/zinc/95/23/62/1004952362.db2.gz WKTRVUPYAOPEIL-FRRDWIJNSA-N 1 0 400.426 3.684 20 5 HHBDRO COc1cc(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513473036 1004981554 /nfs/dbraw/zinc/98/15/54/1004981554.db2.gz QNGNWRBSTKARLP-FQEVSTJZSA-N 1 0 411.502 3.851 20 5 HHBDRO CC1CC[NH+](C2CCC(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CC2)CC1 ZINC000502276853 1004989899 /nfs/dbraw/zinc/98/98/99/1004989899.db2.gz ALUXNUJOLLXLPV-UHFFFAOYSA-N 1 0 411.506 3.553 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000511047688 1004996239 /nfs/dbraw/zinc/99/62/39/1004996239.db2.gz PMWQRAKCGHRGBU-IRXDYDNUSA-N 1 0 417.531 3.551 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)CCc1ccccc1[N+](=O)[O-] ZINC000511059950 1005001859 /nfs/dbraw/zinc/00/18/59/1005001859.db2.gz PYKCAHFCPLKPPY-UHFFFAOYSA-N 1 0 424.270 4.000 20 5 HHBDRO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000502329503 1005015283 /nfs/dbraw/zinc/01/52/83/1005015283.db2.gz ZXJBJUNHZOWULU-LJQANCHMSA-N 1 0 419.485 3.992 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000511121492 1005029325 /nfs/dbraw/zinc/02/93/25/1005029325.db2.gz GOVDWMQYXFJSMV-UHFFFAOYSA-N 1 0 411.458 3.749 20 5 HHBDRO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC000502380292 1005047153 /nfs/dbraw/zinc/04/71/53/1005047153.db2.gz VTNNCHAXKGQONI-GOSISDBHSA-N 1 0 411.506 3.869 20 5 HHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000513698740 1005087038 /nfs/dbraw/zinc/08/70/38/1005087038.db2.gz FDBBXYDCWOQOKW-XJKSGUPXSA-N 1 0 405.401 3.762 20 5 HHBDRO C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511251976 1005092086 /nfs/dbraw/zinc/09/20/86/1005092086.db2.gz RJGQJEOOOAQZAC-FUHWJXTLSA-N 1 0 400.523 3.922 20 5 HHBDRO C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511268239 1005099569 /nfs/dbraw/zinc/09/95/69/1005099569.db2.gz VSJTURGUJHYPLL-STQMWFEESA-N 1 0 410.312 3.740 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1SC ZINC000511304154 1005116127 /nfs/dbraw/zinc/11/61/27/1005116127.db2.gz DOZQZVLWNFMCJT-ZIAGYGMSSA-N 1 0 407.536 3.708 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1SC ZINC000511304150 1005116193 /nfs/dbraw/zinc/11/61/93/1005116193.db2.gz DOZQZVLWNFMCJT-KBPBESRZSA-N 1 0 407.536 3.708 20 5 HHBDRO O=C(c1ccncc1)N1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000513787548 1005127042 /nfs/dbraw/zinc/12/70/42/1005127042.db2.gz ARLDGXZXJOTYRR-NQIIRXRSSA-N 1 0 408.502 3.595 20 5 HHBDRO Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000513788094 1005127522 /nfs/dbraw/zinc/12/75/22/1005127522.db2.gz KWYJUNNQHOUSLO-CBQOVEMMSA-N 1 0 413.518 3.871 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(S(C)(=O)=O)ccc1F ZINC000502597525 1005133821 /nfs/dbraw/zinc/13/38/21/1005133821.db2.gz VNXWADWGRNHSBY-AWEZNQCLSA-N 1 0 412.508 3.798 20 5 HHBDRO C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511386875 1005151933 /nfs/dbraw/zinc/15/19/33/1005151933.db2.gz FWUSSJIVEJIQEF-PKOBYXMFSA-N 1 0 402.539 3.870 20 5 HHBDRO CCC1(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000514054348 1005245377 /nfs/dbraw/zinc/24/53/77/1005245377.db2.gz MQPHUYAORNERPA-UHFFFAOYSA-N 1 0 411.502 3.782 20 5 HHBDRO Cn1ccnc1[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000514089137 1005260220 /nfs/dbraw/zinc/26/02/20/1005260220.db2.gz OVRFLKRESDAQEX-HSZRJFAPSA-N 1 0 419.529 3.714 20 5 HHBDRO CCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502895549 1005264014 /nfs/dbraw/zinc/26/40/14/1005264014.db2.gz PKXVAJXMAZNVOQ-KRWDZBQOSA-N 1 0 412.490 3.687 20 5 HHBDRO CC[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000514096823 1005264020 /nfs/dbraw/zinc/26/40/20/1005264020.db2.gz XYTPHRYFMWXXAX-JTHBVZDNSA-N 1 0 419.529 3.844 20 5 HHBDRO CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000502912646 1005271539 /nfs/dbraw/zinc/27/15/39/1005271539.db2.gz NVNGNYJXRZTXHZ-KRWDZBQOSA-N 1 0 412.490 3.971 20 5 HHBDRO CC1CC[NH+]([C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000514178686 1005299921 /nfs/dbraw/zinc/29/99/21/1005299921.db2.gz ASJUKBLWPCZAKR-IBGZPJMESA-N 1 0 416.547 3.971 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[NH+]2CCCC2)cc1 ZINC000503003531 1005311971 /nfs/dbraw/zinc/31/19/71/1005311971.db2.gz WLMGTBOJPCQXPS-OAQYLSRUSA-N 1 0 408.458 3.652 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000511775359 1005320111 /nfs/dbraw/zinc/32/01/11/1005320111.db2.gz HAACYMZEUUVPAO-RZUBCFFCSA-N 1 0 409.486 3.736 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(CNCc3ccccc3C[N@H+]3CC[C@H](O)C3)cs2)c1 ZINC000514250006 1005333522 /nfs/dbraw/zinc/33/35/22/1005333522.db2.gz NMYYBARDBOOTSE-NRFANRHFSA-N 1 0 424.526 3.575 20 5 HHBDRO NC(=O)c1ccc(C[NH+]2CCC(c3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 ZINC000503347744 1005395235 /nfs/dbraw/zinc/39/52/35/1005395235.db2.gz POBPYFSBHFJGJX-UHFFFAOYSA-N 1 0 418.291 3.836 20 5 HHBDRO COc1ccc([C@H]2C[C@H]([NH2+][C@H](C)CC(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1F ZINC000503901726 1005507744 /nfs/dbraw/zinc/50/77/44/1005507744.db2.gz KETFMDIKWROMFM-FRFSOERESA-N 1 0 401.438 3.995 20 5 HHBDRO CCCOc1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OCCC ZINC000504357784 1005606035 /nfs/dbraw/zinc/60/60/35/1005606035.db2.gz NQVYNPYNOIZLLK-HZPDHXFCSA-N 1 0 420.510 3.921 20 5 HHBDRO COc1ccc(CC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000531084891 1005986172 /nfs/dbraw/zinc/98/61/72/1005986172.db2.gz WURFAKDUELONAI-XMMPIXPASA-N 1 0 423.513 3.661 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H]1c1ccccc1 ZINC000534019281 1005990148 /nfs/dbraw/zinc/99/01/48/1005990148.db2.gz OTBUIJORZNSPBI-BWKNWUBXSA-N 1 0 411.505 3.716 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000531204558 1006045771 /nfs/dbraw/zinc/04/57/71/1006045771.db2.gz HLVWQDMWTTYYRK-HZPDHXFCSA-N 1 0 410.474 3.708 20 5 HHBDRO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000531456135 1006208740 /nfs/dbraw/zinc/20/87/40/1006208740.db2.gz WKMJRKQCELHJRA-OAQYLSRUSA-N 1 0 412.515 3.789 20 5 HHBDRO COc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000534225275 1006221733 /nfs/dbraw/zinc/22/17/33/1006221733.db2.gz CSTJIAUFRMLEBU-AUUYWEPGSA-N 1 0 421.856 3.819 20 5 HHBDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000531688040 1006355442 /nfs/dbraw/zinc/35/54/42/1006355442.db2.gz HTVDXMUBWFNBNC-QGZVFWFLSA-N 1 0 417.531 3.716 20 5 HHBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000531703113 1006365971 /nfs/dbraw/zinc/36/59/71/1006365971.db2.gz GHEZBXOHLFCCEM-RBBKRZOGSA-N 1 0 408.502 3.791 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000531704353 1006367254 /nfs/dbraw/zinc/36/72/54/1006367254.db2.gz FGITXUXLFHVLCX-ZDUSSCGKSA-N 1 0 406.280 3.907 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000515470078 1006483873 /nfs/dbraw/zinc/48/38/73/1006483873.db2.gz KLSXTTKBSTUGCK-GOSISDBHSA-N 1 0 419.279 3.740 20 5 HHBDRO COc1cccc([C@H](CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)[NH+](C)C)c1 ZINC000515583025 1006548158 /nfs/dbraw/zinc/54/81/58/1006548158.db2.gz ZTNSYFZBEHDIPF-FQEVSTJZSA-N 1 0 407.474 3.506 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000531983575 1006558972 /nfs/dbraw/zinc/55/89/72/1006558972.db2.gz VLESPSPMWLLQQS-KGLIPLIRSA-N 1 0 423.872 3.545 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000515762660 1006653968 /nfs/dbraw/zinc/65/39/68/1006653968.db2.gz JVOCQMOZAKUCQM-IRXDYDNUSA-N 1 0 417.531 3.551 20 5 HHBDRO CCOc1ccc(C(=O)N2CCC([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000538396576 1006665396 /nfs/dbraw/zinc/66/53/96/1006665396.db2.gz QGBKCMPQFWQOEF-ALCCZGGFSA-N 1 0 409.486 3.901 20 5 HHBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000538419190 1006687331 /nfs/dbraw/zinc/68/73/31/1006687331.db2.gz DSXRSZPYQHTKLG-SWLSCSKDSA-N 1 0 412.895 3.954 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000538426693 1006692978 /nfs/dbraw/zinc/69/29/78/1006692978.db2.gz RCQSPQOPXWIJGB-LJQANCHMSA-N 1 0 411.502 3.795 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000538428163 1006694087 /nfs/dbraw/zinc/69/40/87/1006694087.db2.gz IEHFEESXMCUVDR-UYAOXDASSA-N 1 0 411.502 3.841 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1c1ccccc1 ZINC000534753629 1006748357 /nfs/dbraw/zinc/74/83/57/1006748357.db2.gz FWSVEFBWQBISHT-MJGOQNOKSA-N 1 0 408.483 3.894 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000532331123 1006797495 /nfs/dbraw/zinc/79/74/95/1006797495.db2.gz SUQLUAHAQPDFGA-SFHVURJKSA-N 1 0 408.458 3.553 20 5 HHBDRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000532393508 1006841964 /nfs/dbraw/zinc/84/19/64/1006841964.db2.gz NFOTWSXXLXWBFR-ZDUSSCGKSA-N 1 0 412.895 3.953 20 5 HHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000538592375 1006860799 /nfs/dbraw/zinc/86/07/99/1006860799.db2.gz SFDKPWBAUAOSFU-IYBDPMFKSA-N 1 0 409.552 3.716 20 5 HHBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000532474022 1006913046 /nfs/dbraw/zinc/91/30/46/1006913046.db2.gz IAXOHIRKSRQFCG-JOCHJYFZSA-N 1 0 408.502 3.611 20 5 HHBDRO CC(C)[N@H+](Cc1ccc(Br)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532490628 1006931314 /nfs/dbraw/zinc/93/13/14/1006931314.db2.gz HUQIPFPQVNSBOS-UHFFFAOYSA-N 1 0 406.280 3.867 20 5 HHBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H](C)Cc1ccc(OC)cc1 ZINC000532554042 1006984751 /nfs/dbraw/zinc/98/47/51/1006984751.db2.gz WXQJLOQDXJBSEK-MRXNPFEDSA-N 1 0 413.474 3.855 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534962775 1007012472 /nfs/dbraw/zinc/01/24/72/1007012472.db2.gz JOMHNYSICKRECV-YWZLYKJASA-N 1 0 405.857 3.739 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534963193 1007013901 /nfs/dbraw/zinc/01/39/01/1007013901.db2.gz URESVXAJNTWMQB-UHFFFAOYSA-N 1 0 422.529 3.830 20 5 HHBDRO C[NH+](C)CCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000516376987 1007050336 /nfs/dbraw/zinc/05/03/36/1007050336.db2.gz FEZRFBMMMVDZRZ-DTQAZKPQSA-N 1 0 410.499 3.813 20 5 HHBDRO CCC[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1CCOC ZINC000538810062 1007089508 /nfs/dbraw/zinc/08/95/08/1007089508.db2.gz UCSSEFNSEBYJKT-LJQANCHMSA-N 1 0 404.536 3.651 20 5 HHBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000532827072 1007210788 /nfs/dbraw/zinc/21/07/88/1007210788.db2.gz GUBCNCLSZZJJNC-AWEZNQCLSA-N 1 0 403.866 3.638 20 5 HHBDRO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532900179 1007277492 /nfs/dbraw/zinc/27/74/92/1007277492.db2.gz NMRZLXOTWINYPZ-UHFFFAOYSA-N 1 0 404.470 3.845 20 5 HHBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(OC)cc1OC ZINC000532935058 1007307315 /nfs/dbraw/zinc/30/73/15/1007307315.db2.gz KPFUNKBOBJJSAV-UHFFFAOYSA-N 1 0 401.463 3.771 20 5 HHBDRO CC[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000539045267 1007341763 /nfs/dbraw/zinc/34/17/63/1007341763.db2.gz IBDABYRSWMBBGV-OAQYLSRUSA-N 1 0 417.531 3.761 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000532975506 1007344991 /nfs/dbraw/zinc/34/49/91/1007344991.db2.gz QSOYXBRAEDTQRP-UHFFFAOYSA-N 1 0 413.474 3.784 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000532976467 1007346938 /nfs/dbraw/zinc/34/69/38/1007346938.db2.gz CECZZNPORATXCY-GDBMZVCRSA-N 1 0 401.438 3.634 20 5 HHBDRO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000539053789 1007348885 /nfs/dbraw/zinc/34/88/85/1007348885.db2.gz HAASIVHQIIIFDL-MSOLQXFVSA-N 1 0 407.470 3.724 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2ccccc2F)CC1 ZINC000532981051 1007352423 /nfs/dbraw/zinc/35/24/23/1007352423.db2.gz ZZHRPANIQQMVGR-UHFFFAOYSA-N 1 0 401.438 3.951 20 5 HHBDRO COc1cc(C[NH2+]CCc2nccnc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000516958530 1007352570 /nfs/dbraw/zinc/35/25/70/1007352570.db2.gz IXBZXLZAZKUWJG-UHFFFAOYSA-N 1 0 408.458 3.613 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(OC)c1 ZINC000535331543 1007383761 /nfs/dbraw/zinc/38/37/61/1007383761.db2.gz DNKZIVTUICOFKH-JOCHJYFZSA-N 1 0 424.501 3.827 20 5 HHBDRO O=C(C[NH2+]C1(c2ccccc2)CCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533030921 1007390547 /nfs/dbraw/zinc/39/05/47/1007390547.db2.gz IPESYFUQCCTFQX-UHFFFAOYSA-N 1 0 404.264 3.965 20 5 HHBDRO O=C1C[C@@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1Cc1ccccc1 ZINC000535369739 1007430068 /nfs/dbraw/zinc/43/00/68/1007430068.db2.gz SATPBLUMQFDBQM-SFHVURJKSA-N 1 0 405.454 3.993 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H](c4nnc5ccccn54)C3)o2)c1 ZINC000533079439 1007442153 /nfs/dbraw/zinc/44/21/53/1007442153.db2.gz OTDQFUVPTULWEV-QGZVFWFLSA-N 1 0 418.457 3.715 20 5 HHBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000533140116 1007477993 /nfs/dbraw/zinc/47/79/93/1007477993.db2.gz HEWLMYJXURNUQI-UHFFFAOYSA-N 1 0 420.307 3.998 20 5 HHBDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000517185632 1007490795 /nfs/dbraw/zinc/49/07/95/1007490795.db2.gz SSTSPWUNRZERGV-IAGOWNOFSA-N 1 0 424.501 3.643 20 5 HHBDRO CC(C)(C)n1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(-c2ccccc2Cl)n1 ZINC000533187037 1007525125 /nfs/dbraw/zinc/52/51/25/1007525125.db2.gz XDBSRISYPUFZLP-UHFFFAOYSA-N 1 0 402.886 3.853 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000539238759 1007531873 /nfs/dbraw/zinc/53/18/73/1007531873.db2.gz HUBIIHYPFFMMHA-HNNXBMFYSA-N 1 0 412.490 3.679 20 5 HHBDRO Cc1ccc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000533200221 1007532253 /nfs/dbraw/zinc/53/22/53/1007532253.db2.gz UGEDHBNYMSJUMF-UHFFFAOYSA-N 1 0 420.307 3.792 20 5 HHBDRO CC[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1OC(F)F ZINC000539253092 1007547205 /nfs/dbraw/zinc/54/72/05/1007547205.db2.gz BTZAXSWVRPRJGN-LBPRGKRZSA-N 1 0 423.372 3.604 20 5 HHBDRO COc1cc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)ccc1OCc1ccccc1 ZINC000539254615 1007547740 /nfs/dbraw/zinc/54/77/40/1007547740.db2.gz BSKXOCJZYLKKKO-KRWDZBQOSA-N 1 0 423.469 3.695 20 5 HHBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cccc(Br)c1 ZINC000533252065 1007570604 /nfs/dbraw/zinc/57/06/04/1007570604.db2.gz BYIOMALWLOTPGF-UHFFFAOYSA-N 1 0 420.263 3.787 20 5 HHBDRO C[C@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)c1cccc([N+](=O)[O-])c1 ZINC000539277006 1007571338 /nfs/dbraw/zinc/57/13/38/1007571338.db2.gz SJBLCXJGGNVVIH-NSHDSACASA-N 1 0 412.309 3.728 20 5 HHBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000533275435 1007587105 /nfs/dbraw/zinc/58/71/05/1007587105.db2.gz ULUDMDSRJHHAPE-SFHVURJKSA-N 1 0 410.518 3.766 20 5 HHBDRO COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000539362127 1007664607 /nfs/dbraw/zinc/66/46/07/1007664607.db2.gz MHAOKFLBJBLHAS-QHCPKHFHSA-N 1 0 421.497 3.956 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(OCc4cccnc4)cc3)C2)nc1 ZINC000533381025 1007692941 /nfs/dbraw/zinc/69/29/41/1007692941.db2.gz ULHPEYMSUDTOQY-LJQANCHMSA-N 1 0 405.458 3.650 20 5 HHBDRO Cc1nc2c(s1)[C@@H]([N@H+](C)CCCn1c(=O)oc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000533386634 1007698806 /nfs/dbraw/zinc/69/88/06/1007698806.db2.gz LAKOWCBHFKOKSB-HNNXBMFYSA-N 1 0 402.476 3.667 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000533394618 1007706929 /nfs/dbraw/zinc/70/69/29/1007706929.db2.gz ISNKKHIQARCCTE-UHFFFAOYSA-N 1 0 412.490 3.817 20 5 HHBDRO O=C(C[NH2+][C@H](c1ccc(F)cc1)C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533513845 1007833374 /nfs/dbraw/zinc/83/33/74/1007833374.db2.gz XAZITMFTNVEHCE-FQEVSTJZSA-N 1 0 401.394 3.532 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c1 ZINC000539526359 1007834936 /nfs/dbraw/zinc/83/49/36/1007834936.db2.gz MBXPBKFRQOYWSB-UHFFFAOYSA-N 1 0 410.474 3.827 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000533518797 1007838850 /nfs/dbraw/zinc/83/88/50/1007838850.db2.gz XJCLHPHFBFGUIU-UHFFFAOYSA-N 1 0 407.474 3.988 20 5 HHBDRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CN1 ZINC000535840883 1007851724 /nfs/dbraw/zinc/85/17/24/1007851724.db2.gz IDUFPFVCZAUIFI-ACJLOTCBSA-N 1 0 403.866 3.999 20 5 HHBDRO CCOc1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)c([N+](=O)[O-])cc1OC ZINC000517643215 1007853030 /nfs/dbraw/zinc/85/30/30/1007853030.db2.gz VBGCSWGJSUIYFE-OAHLLOKOSA-N 1 0 407.511 3.633 20 5 HHBDRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539829631 1008123148 /nfs/dbraw/zinc/12/31/48/1008123148.db2.gz PXURCISZCVOVLJ-JXFKEZNVSA-N 1 0 400.475 3.918 20 5 HHBDRO C[C@@H]1CC[N@H+](C)CCN1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539838820 1008130813 /nfs/dbraw/zinc/13/08/13/1008130813.db2.gz QORHWLRRLAKZNA-GOSISDBHSA-N 1 0 405.502 3.974 20 5 HHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000533828960 1008138737 /nfs/dbraw/zinc/13/87/37/1008138737.db2.gz YSLLOQOLNUQESL-UKRRQHHQSA-N 1 0 409.450 3.512 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000533866713 1008168934 /nfs/dbraw/zinc/16/89/34/1008168934.db2.gz GAALCVHLAMXANK-GOSISDBHSA-N 1 0 407.474 3.746 20 5 HHBDRO CC(C)(CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCc2ccccc2C1 ZINC000533917853 1008203861 /nfs/dbraw/zinc/20/38/61/1008203861.db2.gz KYGXSTICJNGVQK-UHFFFAOYSA-N 1 0 406.486 3.572 20 5 HHBDRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000518231082 1008216924 /nfs/dbraw/zinc/21/69/24/1008216924.db2.gz ZVOKAGGQUOQSAT-UHFFFAOYSA-N 1 0 410.474 3.591 20 5 HHBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000533940754 1008221184 /nfs/dbraw/zinc/22/11/84/1008221184.db2.gz VKHJAKPJBAIPJL-UHFFFAOYSA-N 1 0 418.497 3.668 20 5 HHBDRO CCCC[NH+]1CCC(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000518321563 1008259942 /nfs/dbraw/zinc/25/99/42/1008259942.db2.gz SVFBYKJBHVALSW-UHFFFAOYSA-N 1 0 416.444 3.796 20 5 HHBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000540129488 1008302704 /nfs/dbraw/zinc/30/27/04/1008302704.db2.gz FPQAJYMJPRRUHE-UHFFFAOYSA-N 1 0 421.404 3.629 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1Br ZINC000540157003 1008314920 /nfs/dbraw/zinc/31/49/20/1008314920.db2.gz XMBVPLCYCXNHLH-HIFRSBDPSA-N 1 0 409.280 3.756 20 5 HHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000540159693 1008315835 /nfs/dbraw/zinc/31/58/35/1008315835.db2.gz LDVNSMAOIUXBIU-GOEBONIOSA-N 1 0 423.307 3.708 20 5 HHBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000540160355 1008316223 /nfs/dbraw/zinc/31/62/23/1008316223.db2.gz CQHSKGAHBDNTGL-PDSXEYIOSA-N 1 0 401.463 3.686 20 5 HHBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000540160358 1008316227 /nfs/dbraw/zinc/31/62/27/1008316227.db2.gz CQHSKGAHBDNTGL-VTJXTGGHSA-N 1 0 401.463 3.686 20 5 HHBDRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000540167087 1008319407 /nfs/dbraw/zinc/31/94/07/1008319407.db2.gz KZLXHCBCDMIAIA-AWEZNQCLSA-N 1 0 423.560 3.788 20 5 HHBDRO O=C(CC(F)(F)F)N1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000540177402 1008324116 /nfs/dbraw/zinc/32/41/16/1008324116.db2.gz LVAIVUKAZXMNQF-WMLDXEAASA-N 1 0 413.440 3.839 20 5 HHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000540191532 1008329411 /nfs/dbraw/zinc/32/94/11/1008329411.db2.gz UIBLUGJUSYDPLE-HNNXBMFYSA-N 1 0 415.471 3.517 20 5 HHBDRO CC[N@H+](CCC1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1)CC(C)C ZINC000540206003 1008335262 /nfs/dbraw/zinc/33/52/62/1008335262.db2.gz WJTIJNVGTJTUDB-UHFFFAOYSA-N 1 0 401.511 3.828 20 5 HHBDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1)CC(C)C ZINC000540215989 1008339448 /nfs/dbraw/zinc/33/94/48/1008339448.db2.gz MPMKJVAKAMUIJD-UHFFFAOYSA-N 1 0 411.568 3.672 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000540285599 1008367349 /nfs/dbraw/zinc/36/73/49/1008367349.db2.gz IPGGMHHFKMSVJZ-LMMKCTJWSA-N 1 0 400.523 3.672 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000540319875 1008378002 /nfs/dbraw/zinc/37/80/02/1008378002.db2.gz UTHPUJGLNBQUHE-LBPRGKRZSA-N 1 0 409.389 3.884 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccccc2OC(F)F)c([N+](=O)[O-])c1 ZINC000540348071 1008391590 /nfs/dbraw/zinc/39/15/90/1008391590.db2.gz PJVOQOCQIWUWII-GFCCVEGCSA-N 1 0 409.389 3.884 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000540347656 1008391751 /nfs/dbraw/zinc/39/17/51/1008391751.db2.gz MFPRNHJQPVEANB-GFCCVEGCSA-N 1 0 409.389 3.884 20 5 HHBDRO CCCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000540352559 1008394370 /nfs/dbraw/zinc/39/43/70/1008394370.db2.gz PQDKVQLSOIGCEX-HNNXBMFYSA-N 1 0 401.463 3.990 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000540354691 1008395977 /nfs/dbraw/zinc/39/59/77/1008395977.db2.gz RTJGPFMJRXFIIE-LBPRGKRZSA-N 1 0 416.865 3.886 20 5 HHBDRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000540381857 1008408921 /nfs/dbraw/zinc/40/89/21/1008408921.db2.gz YDDZXZYTWAUGOX-FOIQADDNSA-N 1 0 413.474 3.626 20 5 HHBDRO COc1cc(C)c([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000540399406 1008416919 /nfs/dbraw/zinc/41/69/19/1008416919.db2.gz ZKOQIDIXCHKLBM-OAHLLOKOSA-N 1 0 401.463 3.908 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000540450826 1008438239 /nfs/dbraw/zinc/43/82/39/1008438239.db2.gz ZVNONZJPOHYZGO-GOSISDBHSA-N 1 0 401.532 3.998 20 5 HHBDRO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000540477840 1008447482 /nfs/dbraw/zinc/44/74/82/1008447482.db2.gz VCQGRVJFHARZLX-GFCCVEGCSA-N 1 0 417.487 3.529 20 5 HHBDRO CCCOc1cc(NC(=O)NCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])cc1OCCC ZINC000540535795 1008472025 /nfs/dbraw/zinc/47/20/25/1008472025.db2.gz JTPCPXJTPMGFTE-UHFFFAOYSA-N 1 0 406.483 3.556 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000549007351 1008580611 /nfs/dbraw/zinc/58/06/11/1008580611.db2.gz SXRCMSKOAMQHDN-UHFFFAOYSA-N 1 0 413.474 3.745 20 5 HHBDRO CCN1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549116261 1008683264 /nfs/dbraw/zinc/68/32/64/1008683264.db2.gz CRJRSEBZHMVLCB-YLJYHZDGSA-N 1 0 409.408 3.946 20 5 HHBDRO C[NH+](C)CCOc1ccc(-c2noc(-c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)n2)cc1 ZINC000545587041 1008686628 /nfs/dbraw/zinc/68/66/28/1008686628.db2.gz QVNIHNYXRGQZBJ-UHFFFAOYSA-N 1 0 421.413 3.506 20 5 HHBDRO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543140735 1008713491 /nfs/dbraw/zinc/71/34/91/1008713491.db2.gz SFPSYVIJBVGENZ-LJQANCHMSA-N 1 0 424.501 3.577 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000543267606 1008840677 /nfs/dbraw/zinc/84/06/77/1008840677.db2.gz FPWANYWCEJPIFK-MRXNPFEDSA-N 1 0 411.886 3.899 20 5 HHBDRO COc1cc(Cc2noc(C3CCN(c4cc[nH+]cc4C)CC3)n2)ccc1[N+](=O)[O-] ZINC000545777619 1008863496 /nfs/dbraw/zinc/86/34/96/1008863496.db2.gz RQCJUYQWDHDSFH-UHFFFAOYSA-N 1 0 409.446 3.665 20 5 HHBDRO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000519563410 1008906910 /nfs/dbraw/zinc/90/69/10/1008906910.db2.gz SXEQIPRSGUYYJU-GUYCJALGSA-N 1 0 405.401 3.589 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000543410712 1009004541 /nfs/dbraw/zinc/00/45/41/1009004541.db2.gz CXJLCKJGMQSWFC-UHFFFAOYSA-N 1 0 403.866 3.651 20 5 HHBDRO COc1cc(CN2CC[C@H](OC(F)F)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000549451644 1009042490 /nfs/dbraw/zinc/04/24/90/1009042490.db2.gz PCZYMTCXJPCQGE-INIZCTEOSA-N 1 0 408.401 3.996 20 5 HHBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000519940027 1009093479 /nfs/dbraw/zinc/09/34/79/1009093479.db2.gz KXUQKTLNXFKNEL-MRXNPFEDSA-N 1 0 402.520 3.710 20 5 HHBDRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543537100 1009128387 /nfs/dbraw/zinc/12/83/87/1009128387.db2.gz MCCLLMWJUXHAPO-CQSZACIVSA-N 1 0 403.429 3.757 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000543590485 1009196727 /nfs/dbraw/zinc/19/67/27/1009196727.db2.gz YVGVXYIZIPZRGF-VQIMIIECSA-N 1 0 414.481 3.746 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543595304 1009200979 /nfs/dbraw/zinc/20/09/79/1009200979.db2.gz MMKJEJQWMUQXDL-LXGCGDOSSA-N 1 0 401.438 3.961 20 5 HHBDRO CC(C)c1ccc2c(c1)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCCO2 ZINC000543598166 1009202908 /nfs/dbraw/zinc/20/29/08/1009202908.db2.gz RLNRQEQNORDAJS-HXUWFJFHSA-N 1 0 418.515 3.995 20 5 HHBDRO COc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)cc1 ZINC000543641202 1009244962 /nfs/dbraw/zinc/24/49/62/1009244962.db2.gz YVSKWPAAZXXFCE-IBGZPJMESA-N 1 0 402.426 3.701 20 5 HHBDRO O=[N+]([O-])c1ccc2c(c1NC[C@H]1C[N@H+](Cc3ccccc3)CC13CCOCC3)CCN2 ZINC000549618481 1009246335 /nfs/dbraw/zinc/24/63/35/1009246335.db2.gz SUXUZSRHDGTSKU-IBGZPJMESA-N 1 0 422.529 3.904 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC4(CCC[N@@H+]4C)CC3)cc2[N+](=O)[O-])C1 ZINC000546267892 1009287890 /nfs/dbraw/zinc/28/78/90/1009287890.db2.gz OANDEYOFMPKIFS-HDICACEKSA-N 1 0 414.550 3.778 20 5 HHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)cc1 ZINC000520215222 1009346833 /nfs/dbraw/zinc/34/68/33/1009346833.db2.gz QDGKQOYIUICSTC-UHFFFAOYSA-N 1 0 401.264 3.875 20 5 HHBDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)[C@@H]2C ZINC000543806370 1009369389 /nfs/dbraw/zinc/36/93/89/1009369389.db2.gz BCDYOPUVSPSPPS-HUUCEWRRSA-N 1 0 411.458 3.909 20 5 HHBDRO C/C(=C\c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000546363407 1009373156 /nfs/dbraw/zinc/37/31/56/1009373156.db2.gz LSNOVWFCSQXXED-JQIJEIRASA-N 1 0 420.473 3.742 20 5 HHBDRO Cc1nn(CCc2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c(C)c1[N+](=O)[O-] ZINC000520300710 1009426317 /nfs/dbraw/zinc/42/63/17/1009426317.db2.gz XUPPHOBBFQNYCD-UHFFFAOYSA-N 1 0 410.478 3.687 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-n2cccn2)c(F)c1 ZINC000549828539 1009438148 /nfs/dbraw/zinc/43/81/48/1009438148.db2.gz ODUKZDABNBHZKG-GFCCVEGCSA-N 1 0 417.828 3.862 20 5 HHBDRO CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000549831635 1009441797 /nfs/dbraw/zinc/44/17/97/1009441797.db2.gz WWGCHVQKXMDVAQ-GHTZIAJQSA-N 1 0 424.549 3.962 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000543891949 1009471315 /nfs/dbraw/zinc/47/13/15/1009471315.db2.gz CFRBHPSRMMNKJF-LJQANCHMSA-N 1 0 416.478 3.817 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000543949070 1009545169 /nfs/dbraw/zinc/54/51/69/1009545169.db2.gz SJMKEJNAEJOAFW-UHFFFAOYSA-N 1 0 407.511 3.586 20 5 HHBDRO C[C@@](O)(C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1)C(F)(F)F ZINC000546638750 1009646079 /nfs/dbraw/zinc/64/60/79/1009646079.db2.gz KAMHRDOJYWBPRW-GOSISDBHSA-N 1 0 413.396 3.818 20 5 HHBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000544124458 1009732476 /nfs/dbraw/zinc/73/24/76/1009732476.db2.gz YCGKHFYZZNTMFZ-CQSZACIVSA-N 1 0 422.478 3.647 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000550222649 1009787289 /nfs/dbraw/zinc/78/72/89/1009787289.db2.gz WRRMGYFNXRPIHD-ZDUSSCGKSA-N 1 0 412.328 3.908 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000550299508 1009845346 /nfs/dbraw/zinc/84/53/46/1009845346.db2.gz GLJBCPCCGZIMPB-AWEZNQCLSA-N 1 0 410.312 3.756 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)c1 ZINC000520869962 1009922759 /nfs/dbraw/zinc/92/27/59/1009922759.db2.gz KWVFSMWRUZDBSB-UHFFFAOYSA-N 1 0 421.563 3.860 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000544368840 1009996998 /nfs/dbraw/zinc/99/69/98/1009996998.db2.gz SVTFJMQBODVTNE-CQSZACIVSA-N 1 0 405.882 3.784 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]CC(C)(C)N3C[C@@H](C)O[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000520954970 1010004166 /nfs/dbraw/zinc/00/41/66/1010004166.db2.gz WNDHGOVCYQQKTO-IYBDPMFKSA-N 1 0 417.506 3.841 20 5 HHBDRO C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544422570 1010043633 /nfs/dbraw/zinc/04/36/33/1010043633.db2.gz YKGYHIYIZLSJGQ-ILXRZTDVSA-N 1 0 408.930 3.818 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000550716349 1010123829 /nfs/dbraw/zinc/12/38/29/1010123829.db2.gz UTYVVFPGVZFIEN-ACJLOTCBSA-N 1 0 422.323 3.755 20 5 HHBDRO COc1ccc(OCC[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000544529062 1010158303 /nfs/dbraw/zinc/15/83/03/1010158303.db2.gz LWMYWQVJTNZYMR-DYESRHJHSA-N 1 0 404.438 3.973 20 5 HHBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000544622055 1010246287 /nfs/dbraw/zinc/24/62/87/1010246287.db2.gz PRWJGMZXVVCRHP-VQTJNVASSA-N 1 0 421.517 3.535 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000521259686 1010263529 /nfs/dbraw/zinc/26/35/29/1010263529.db2.gz UGEGNORSLLWIFV-QWFCFKBJSA-N 1 0 414.550 3.675 20 5 HHBDRO CSc1ccc([C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000550940135 1010268647 /nfs/dbraw/zinc/26/86/47/1010268647.db2.gz XMOLNUSLHHSJIY-YWZLYKJASA-N 1 0 416.547 3.926 20 5 HHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])Nc1ccc2[nH]c(CCN3CCOCC3)[nH+]c2c1 ZINC000547363254 1010271051 /nfs/dbraw/zinc/27/10/51/1010271051.db2.gz QQUSJELPPHKWKM-KRWDZBQOSA-N 1 0 423.517 3.779 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000521277977 1010273159 /nfs/dbraw/zinc/27/31/59/1010273159.db2.gz FGUOXUPMGJSMEI-CQSZACIVSA-N 1 0 421.881 3.732 20 5 HHBDRO O=[N+]([O-])c1ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)c(F)c1N1CCOCC1 ZINC000521312782 1010297797 /nfs/dbraw/zinc/29/77/97/1010297797.db2.gz GVFCWQKXVSAFTQ-QGZVFWFLSA-N 1 0 420.510 3.881 20 5 HHBDRO C[N@H+](CCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000521408314 1010357108 /nfs/dbraw/zinc/35/71/08/1010357108.db2.gz HBFPGGPQKJZAHB-UHFFFAOYSA-N 1 0 402.882 3.684 20 5 HHBDRO CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544847801 1010432266 /nfs/dbraw/zinc/43/22/66/1010432266.db2.gz CDJJSBQVDSLSRL-OAQYLSRUSA-N 1 0 419.485 3.517 20 5 HHBDRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000521524465 1010437754 /nfs/dbraw/zinc/43/77/54/1010437754.db2.gz QLRNLCXGYMZCID-UHFFFAOYSA-N 1 0 413.518 3.805 20 5 HHBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000521592490 1010489015 /nfs/dbraw/zinc/48/90/15/1010489015.db2.gz SODBHFZIEYRDLZ-UHFFFAOYSA-N 1 0 424.501 3.729 20 5 HHBDRO O=C(c1ccc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1)N1CCOCC1 ZINC000521831459 1010644832 /nfs/dbraw/zinc/64/48/32/1010644832.db2.gz UUSITANSIZNNEF-UHFFFAOYSA-N 1 0 421.453 3.617 20 5 HHBDRO C[C@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000551719523 1010759898 /nfs/dbraw/zinc/75/98/98/1010759898.db2.gz ZJJYONBMBXDACE-APPDUMDISA-N 1 0 419.279 3.820 20 5 HHBDRO O=C(CC[NH2+][C@H](c1cncc(Br)c1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000551721718 1010761524 /nfs/dbraw/zinc/76/15/24/1010761524.db2.gz FVPBBMJGUOSMQZ-SFHVURJKSA-N 1 0 419.279 3.822 20 5 HHBDRO Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000522284950 1010906291 /nfs/dbraw/zinc/90/62/91/1010906291.db2.gz IMGCTGHLNADWBR-IBGZPJMESA-N 1 0 419.485 3.636 20 5 HHBDRO CCc1ccc(OCC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000522331395 1010935243 /nfs/dbraw/zinc/93/52/43/1010935243.db2.gz FLKNBKRZICPOBA-UHFFFAOYSA-N 1 0 411.502 3.579 20 5 HHBDRO Cc1cc(S(=O)(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000522415884 1010993202 /nfs/dbraw/zinc/99/32/02/1010993202.db2.gz OIMYKWZDHDGBRK-INIZCTEOSA-N 1 0 417.531 3.614 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522731761 1011182665 /nfs/dbraw/zinc/18/26/65/1011182665.db2.gz FMBGJNZWBAPETG-DYVFJYSZSA-N 1 0 410.396 3.755 20 5 HHBDRO Cc1ccc(C[N@H+]2CCCN(C(=O)CN[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000540590513 1011246165 /nfs/dbraw/zinc/24/61/65/1011246165.db2.gz IPGNTBYHUSVSJP-FQEVSTJZSA-N 1 0 424.545 3.597 20 5 HHBDRO Cc1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)ccc1OCC[NH+]1CCCC1 ZINC000522902761 1011347091 /nfs/dbraw/zinc/34/70/91/1011347091.db2.gz GRKWCIQAOWGASL-UHFFFAOYSA-N 1 0 409.446 3.506 20 5 HHBDRO C[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540910481 1011580639 /nfs/dbraw/zinc/58/06/39/1011580639.db2.gz FEPDXVTZTRVKMT-HKUYNNGSSA-N 1 0 408.502 3.573 20 5 HHBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cc(Br)ccc1F ZINC000536380091 1011588905 /nfs/dbraw/zinc/58/89/05/1011588905.db2.gz VIEPEPHLTVMHHA-UHFFFAOYSA-N 1 0 412.259 3.569 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000540998556 1011633490 /nfs/dbraw/zinc/63/34/90/1011633490.db2.gz YHOPQHYHDZRYFS-UHFFFAOYSA-N 1 0 419.428 3.933 20 5 HHBDRO C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541026263 1011661426 /nfs/dbraw/zinc/66/14/26/1011661426.db2.gz WRODSRFEWFZGDJ-YOEHRIQHSA-N 1 0 419.428 3.837 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1ccccc1Cl ZINC000523223947 1011713219 /nfs/dbraw/zinc/71/32/19/1011713219.db2.gz CMZHHKLDIDLQPV-SFHVURJKSA-N 1 0 421.929 3.651 20 5 HHBDRO C[N@H+](CCCO)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000536685777 1011850295 /nfs/dbraw/zinc/85/02/95/1011850295.db2.gz JSWJCRAUDAKKAE-UHFFFAOYSA-N 1 0 407.898 3.787 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000536702029 1011871624 /nfs/dbraw/zinc/87/16/24/1011871624.db2.gz ZOBWXIZRJZYJFN-INIZCTEOSA-N 1 0 412.490 3.681 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000551812150 1011969566 /nfs/dbraw/zinc/96/95/66/1011969566.db2.gz BSOJEQADBMZZNP-IQMFZBJNSA-N 1 0 422.485 3.979 20 5 HHBDRO Cc1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n(C2CC[NH+](C)CC2)n1 ZINC000541303810 1012006751 /nfs/dbraw/zinc/00/67/51/1012006751.db2.gz KPCYPXFQVSYFPD-UHFFFAOYSA-N 1 0 423.926 3.751 20 5 HHBDRO CC(C)(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000523501001 1012022257 /nfs/dbraw/zinc/02/22/57/1012022257.db2.gz CSSFJYNZIORAIT-UHFFFAOYSA-N 1 0 405.564 3.740 20 5 HHBDRO Cn1ccnc1[C@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000552040145 1012059922 /nfs/dbraw/zinc/05/99/22/1012059922.db2.gz FDTYAIOLVVCKNT-FGZHOGPDSA-N 1 0 405.502 3.844 20 5 HHBDRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552097214 1012114417 /nfs/dbraw/zinc/11/44/17/1012114417.db2.gz WSIDSKBSHLSYMS-HUUCEWRRSA-N 1 0 423.560 3.788 20 5 HHBDRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 ZINC000536883829 1012133750 /nfs/dbraw/zinc/13/37/50/1012133750.db2.gz YMRIYZIOMWFSRB-OAHLLOKOSA-N 1 0 413.474 3.567 20 5 HHBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000552269830 1012281257 /nfs/dbraw/zinc/28/12/57/1012281257.db2.gz UDPJNXDTXLQVLD-KDXIVRHGSA-N 1 0 409.486 3.641 20 5 HHBDRO Cn1ccnc1[C@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552282352 1012295131 /nfs/dbraw/zinc/29/51/31/1012295131.db2.gz BTBXGJVBQVGCHY-XZOQPEGZSA-N 1 0 419.529 3.918 20 5 HHBDRO Cn1ccnc1[C@@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552282351 1012295465 /nfs/dbraw/zinc/29/54/65/1012295465.db2.gz BTBXGJVBQVGCHY-PKTZIBPZSA-N 1 0 419.529 3.918 20 5 HHBDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000552296306 1012307474 /nfs/dbraw/zinc/30/74/74/1012307474.db2.gz GFDSSSKIWQDGDY-WQGACYEGSA-N 1 0 403.508 3.639 20 5 HHBDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccc(OC(F)F)c1 ZINC000537019686 1012325807 /nfs/dbraw/zinc/32/58/07/1012325807.db2.gz MNSKFJSDLFKFCP-GFCCVEGCSA-N 1 0 407.373 3.845 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000541568099 1012357883 /nfs/dbraw/zinc/35/78/83/1012357883.db2.gz CFQJOXINZBITQQ-FUHWJXTLSA-N 1 0 414.531 3.641 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000537050515 1012375181 /nfs/dbraw/zinc/37/51/81/1012375181.db2.gz PFWQJDRFEQYWAN-INIZCTEOSA-N 1 0 406.442 3.858 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H](CO)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000552424918 1012442693 /nfs/dbraw/zinc/44/26/93/1012442693.db2.gz AKKQEQNUKSEZFN-QGZVFWFLSA-N 1 0 400.475 3.777 20 5 HHBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1-c1ccc(Cl)cc1 ZINC000537114627 1012490087 /nfs/dbraw/zinc/49/00/87/1012490087.db2.gz AVFPOJIMQUBICT-KDOFPFPSSA-N 1 0 400.866 3.823 20 5 HHBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000552474255 1012501088 /nfs/dbraw/zinc/50/10/88/1012501088.db2.gz LNVMRRIAVYJIES-INIZCTEOSA-N 1 0 423.922 3.768 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-c2cccnc2)cc1 ZINC000537133065 1012519400 /nfs/dbraw/zinc/51/94/00/1012519400.db2.gz CAOHFGQRHMVWBH-AWEZNQCLSA-N 1 0 420.425 3.675 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000541719812 1012570400 /nfs/dbraw/zinc/57/04/00/1012570400.db2.gz JXMSHVNOKLXEQR-LSDHHAIUSA-N 1 0 400.454 3.574 20 5 HHBDRO COc1cc(C)c([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000537175574 1012581869 /nfs/dbraw/zinc/58/18/69/1012581869.db2.gz QDSJXOABRPQBDZ-JKSUJKDBSA-N 1 0 415.490 3.757 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000541771717 1012638429 /nfs/dbraw/zinc/63/84/29/1012638429.db2.gz SEGRECZAZGOLOZ-UHFFFAOYSA-N 1 0 406.280 3.575 20 5 HHBDRO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CC2)cs1 ZINC000541773154 1012639992 /nfs/dbraw/zinc/63/99/92/1012639992.db2.gz SMDKURPNTYYLJR-INIZCTEOSA-N 1 0 404.536 3.775 20 5 HHBDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1 ZINC000537222377 1012649808 /nfs/dbraw/zinc/64/98/08/1012649808.db2.gz XQUUXYSFZHHDMX-STYXZAMGSA-N 1 0 417.849 3.902 20 5 HHBDRO C[C@H](C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541798028 1012675237 /nfs/dbraw/zinc/67/52/37/1012675237.db2.gz XPQMDOUHCVEODZ-BBWFWOEESA-N 1 0 421.513 3.575 20 5 HHBDRO O=C(C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000537290512 1012749768 /nfs/dbraw/zinc/74/97/68/1012749768.db2.gz OHRODPIBXBHTLA-HXUWFJFHSA-N 1 0 417.849 3.699 20 5 HHBDRO O=C(NCCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000537295248 1012752601 /nfs/dbraw/zinc/75/26/01/1012752601.db2.gz KEECRVWPLJHFIC-UTCJRWHESA-N 1 0 418.291 3.780 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000537327269 1012783491 /nfs/dbraw/zinc/78/34/91/1012783491.db2.gz MMJFFHNVIDJQAA-UYAOXDASSA-N 1 0 411.502 3.699 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000537328021 1012785070 /nfs/dbraw/zinc/78/50/70/1012785070.db2.gz VYRHZNUGBBLSJQ-GOSISDBHSA-N 1 0 405.882 3.745 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541927154 1012787030 /nfs/dbraw/zinc/78/70/30/1012787030.db2.gz BOLAFRALWXIHDB-RHSMWYFYSA-N 1 0 419.428 3.837 20 5 HHBDRO CN(c1ccccc1)c1ccc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000524067496 1012828328 /nfs/dbraw/zinc/82/83/28/1012828328.db2.gz VFOZBLTVMNHQIM-FQEVSTJZSA-N 1 0 424.545 3.953 20 5 HHBDRO O=C(NC[C@@H](NCc1ccccc1)c1ccco1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000552868650 1012872828 /nfs/dbraw/zinc/87/28/28/1012872828.db2.gz BIUNUOJMTDELJY-GOSISDBHSA-N 1 0 404.426 3.930 20 5 HHBDRO COc1cc(C(=O)NC[C@@H](C)C[NH+](C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000552887106 1012890820 /nfs/dbraw/zinc/89/08/20/1012890820.db2.gz LOUSJDOGMZKWOS-CYBMUJFWSA-N 1 0 421.881 3.977 20 5 HHBDRO COCCC[N@@H+]1Cc2cccc(N[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)c2C1 ZINC000524136155 1012921869 /nfs/dbraw/zinc/92/18/69/1012921869.db2.gz KGUCMTGRKQTHBK-MRXNPFEDSA-N 1 0 412.490 3.694 20 5 HHBDRO CN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000906687653 1072002022 /nfs/dbraw/zinc/00/20/22/1072002022.db2.gz FRVRSBXJZVOSBV-UHFFFAOYSA-N 1 0 402.882 3.567 20 5 HHBDRO COc1cccc([C@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[NH+]2CCCC2)c1 ZINC000911903260 1072222661 /nfs/dbraw/zinc/22/26/61/1072222661.db2.gz RBWQHCRMXALDCF-IBGZPJMESA-N 1 0 403.866 3.824 20 5 HHBDRO CC[NH+](CC)CCOC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000912577318 1072248488 /nfs/dbraw/zinc/24/84/88/1072248488.db2.gz GUNDDAUYYUSDRX-UHFFFAOYSA-N 1 0 417.428 3.715 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000570961824 1072525130 /nfs/dbraw/zinc/52/51/30/1072525130.db2.gz RTWJIYOWLYKZRL-UHFFFAOYSA-N 1 0 407.417 3.775 20 5 HHBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554969849 1073024507 /nfs/dbraw/zinc/02/45/07/1073024507.db2.gz ZFFMMYYHSDTPPP-NSHDSACASA-N 1 0 412.227 3.626 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccco1 ZINC000555178416 1073222448 /nfs/dbraw/zinc/22/24/48/1073222448.db2.gz WUMOKAMZGONBHB-IBGZPJMESA-N 1 0 413.478 3.594 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@H](OC(F)F)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000555367631 1073376606 /nfs/dbraw/zinc/37/66/06/1073376606.db2.gz LVBOVZBPNIDOAP-KRWDZBQOSA-N 1 0 408.401 3.996 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CC(Cc3cccc(C(F)(F)F)c3)C2)c1 ZINC000589960518 1073404487 /nfs/dbraw/zinc/40/44/87/1073404487.db2.gz CRKACQHLXBXWBB-SFHVURJKSA-N 1 0 410.392 3.528 20 5 HHBDRO O=C(C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000555568064 1073627433 /nfs/dbraw/zinc/62/74/33/1073627433.db2.gz HLXRCZVWJOMNIN-UHFFFAOYSA-N 1 0 421.856 3.707 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1[N+](=O)[O-])c1ccccn1 ZINC000590375840 1073775927 /nfs/dbraw/zinc/77/59/27/1073775927.db2.gz NNDMGAVAXJFNBN-QGZVFWFLSA-N 1 0 423.517 3.721 20 5 HHBDRO CSc1ccc([C@H](CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000590532301 1073910568 /nfs/dbraw/zinc/91/05/68/1073910568.db2.gz ALLAJQWMJJUDAB-IBGZPJMESA-N 1 0 417.531 3.813 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000555886609 1073943351 /nfs/dbraw/zinc/94/33/51/1073943351.db2.gz OEUYRSBGSRUKOP-AWEZNQCLSA-N 1 0 410.312 3.756 20 5 HHBDRO O=[N+]([O-])c1ccc(Cc2noc(C3CC[NH+](C4CC4)CC3)n2)c(Br)c1 ZINC000573246563 1074322798 /nfs/dbraw/zinc/32/27/98/1074322798.db2.gz QYESLFGZZFNMDH-UHFFFAOYSA-N 1 0 407.268 3.673 20 5 HHBDRO C[C@@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000574324224 1075221018 /nfs/dbraw/zinc/22/10/18/1075221018.db2.gz IEQRHLMXTFMQHR-OAHLLOKOSA-N 1 0 408.458 3.815 20 5 HHBDRO COCc1ccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cc1 ZINC000574964634 1075434176 /nfs/dbraw/zinc/43/41/76/1075434176.db2.gz OOCXLXRAXZSFRD-UHFFFAOYSA-N 1 0 412.227 3.636 20 5 HHBDRO CC(C)[N@H+](C)CC1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000575113252 1075481095 /nfs/dbraw/zinc/48/10/95/1075481095.db2.gz NUADTZRVKUYNFA-UHFFFAOYSA-N 1 0 416.444 3.875 20 5 HHBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164842433 720529087 /nfs/dbraw/zinc/52/90/87/720529087.db2.gz XGNZRIHZYZSMKI-LZLYRXPVSA-N 1 0 418.929 3.526 20 5 HHBDRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164733628 720543602 /nfs/dbraw/zinc/54/36/02/720543602.db2.gz DDQARCHCMYQROL-LBPRGKRZSA-N 1 0 418.872 3.704 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164838295 720670208 /nfs/dbraw/zinc/67/02/08/720670208.db2.gz HAKLYIZMSVOBIF-QGZVFWFLSA-N 1 0 416.909 3.903 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164838293 720671126 /nfs/dbraw/zinc/67/11/26/720671126.db2.gz HAKLYIZMSVOBIF-KRWDZBQOSA-N 1 0 416.909 3.903 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(Cl)cc([N+](=O)[O-])n1)CC2 ZINC001164845243 720681156 /nfs/dbraw/zinc/68/11/56/720681156.db2.gz XFNYPWFAICDMIN-GOSISDBHSA-N 1 0 416.909 3.903 20 5 HHBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]2C ZINC001164856180 720954879 /nfs/dbraw/zinc/95/48/79/720954879.db2.gz CDSQZKFQGBGJPF-LLVKDONJSA-N 1 0 413.309 3.915 20 5 HHBDRO O=[N+]([O-])c1ccc2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2c1 ZINC001164906809 721526081 /nfs/dbraw/zinc/52/60/81/721526081.db2.gz LJZUMTWTNMWKIG-UYAOXDASSA-N 1 0 408.433 3.624 20 5 HHBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164908056 721566098 /nfs/dbraw/zinc/56/60/98/721566098.db2.gz PQASBACUNGXVGD-QUCCMNQESA-N 1 0 408.433 3.624 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC001165020286 721801301 /nfs/dbraw/zinc/80/13/01/721801301.db2.gz FAQZZBUQNRFKDH-FHLIZLRMSA-N 1 0 401.898 3.775 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)C[C@H]21 ZINC001165027517 721803635 /nfs/dbraw/zinc/80/36/35/721803635.db2.gz WAYHRQDTTHIVIC-ZWDAVXSWSA-N 1 0 418.501 3.670 20 5 HHBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001165023360 721838238 /nfs/dbraw/zinc/83/82/38/721838238.db2.gz VQKNVUYYZWHOOI-UHFFFAOYSA-N 1 0 420.897 3.761 20 5 HHBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)CC3)C2)cc1 ZINC001164939046 721929154 /nfs/dbraw/zinc/92/91/54/721929154.db2.gz HWNBAXVXVQSIBO-UHFFFAOYSA-N 1 0 421.501 3.651 20 5 HHBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccccn3)CC2)nc1-c1ccc(F)cc1 ZINC001165054828 722020602 /nfs/dbraw/zinc/02/06/02/722020602.db2.gz FCULUXHWQZUTRW-UHFFFAOYSA-N 1 0 407.449 3.556 20 5 HHBDRO CC1(C)CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000301173269 970787073 /nfs/dbraw/zinc/78/70/73/970787073.db2.gz KYXBGLYBDDGVOS-UHFFFAOYSA-N 1 0 422.529 3.932 20 5 HHBDRO C[NH+](C)[C@@H](CNc1ccc(I)cc1[N+](=O)[O-])c1ccco1 ZINC000301178611 970789920 /nfs/dbraw/zinc/78/99/20/970789920.db2.gz NYIVGJZFPIEINF-ZDUSSCGKSA-N 1 0 401.204 3.507 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C1 ZINC000301180802 970791208 /nfs/dbraw/zinc/79/12/08/970791208.db2.gz NCFDQFQUROVAPI-GJZGRUSLSA-N 1 0 419.913 3.574 20 5 HHBDRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3ccc(Cl)cc3[N+](=O)[O-])c2)C1 ZINC000301197874 970802018 /nfs/dbraw/zinc/80/20/18/970802018.db2.gz OUYBNSKWTGHPHW-INIZCTEOSA-N 1 0 402.882 3.558 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000301227657 970819684 /nfs/dbraw/zinc/81/96/84/970819684.db2.gz HNTDXUIIBGAEHS-LBPRGKRZSA-N 1 0 407.820 3.816 20 5 HHBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301228343 970820967 /nfs/dbraw/zinc/82/09/67/970820967.db2.gz HXTPQACVQUSWSG-QLFBSQMISA-N 1 0 419.913 3.572 20 5 HHBDRO CC(C)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)CC2)cc1 ZINC000301367443 970889881 /nfs/dbraw/zinc/88/98/81/970889881.db2.gz QXOSENKFFWNPAK-UHFFFAOYSA-N 1 0 424.501 3.997 20 5 HHBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccc(Cl)cc1 ZINC000301465076 970942794 /nfs/dbraw/zinc/94/27/94/970942794.db2.gz HAZTXAOICKNDKA-GOSISDBHSA-N 1 0 404.854 3.920 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc4cc([N+](=O)[O-])ccc4n3)C2)cc(OC)c1 ZINC000301565352 970981991 /nfs/dbraw/zinc/98/19/91/970981991.db2.gz MCXRQWJPVUDPIK-KRWDZBQOSA-N 1 0 408.458 3.847 20 5 HHBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](CCCc3ccccc3)CC2)c(Br)c1 ZINC000301567040 970983484 /nfs/dbraw/zinc/98/34/84/970983484.db2.gz VTXWSBQQCWTVGC-UHFFFAOYSA-N 1 0 419.323 3.897 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301678382 971024963 /nfs/dbraw/zinc/02/49/63/971024963.db2.gz IMLULHXUIMQSCV-OAHLLOKOSA-N 1 0 410.474 3.912 20 5 HHBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000301703409 971035129 /nfs/dbraw/zinc/03/51/29/971035129.db2.gz UPGGMNJJNRCJEP-OAHLLOKOSA-N 1 0 405.296 3.711 20 5 HHBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000301712811 971038772 /nfs/dbraw/zinc/03/87/72/971038772.db2.gz YLWSMZLLYDJLGV-UHFFFAOYSA-N 1 0 409.259 3.604 20 5 HHBDRO C[C@@H]1C[N@@H+](CC2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000301870703 971093577 /nfs/dbraw/zinc/09/35/77/971093577.db2.gz PEIMWEUCPOJBNJ-HDICACEKSA-N 1 0 410.518 3.982 20 5 HHBDRO O=[N+]([O-])c1cncc(Br)c1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000301863085 971090758 /nfs/dbraw/zinc/09/07/58/971090758.db2.gz FGAJRAPTPYFTHU-OAHLLOKOSA-N 1 0 405.296 3.729 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)C1 ZINC000301933547 971122357 /nfs/dbraw/zinc/12/23/57/971122357.db2.gz NQFCJECSVVJRHZ-CQSZACIVSA-N 1 0 423.560 3.904 20 5 HHBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000301972570 971138195 /nfs/dbraw/zinc/13/81/95/971138195.db2.gz IEJTWYQGZRUEIR-UHFFFAOYSA-N 1 0 420.311 3.890 20 5 HHBDRO CCC[C@@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301983120 971142493 /nfs/dbraw/zinc/14/24/93/971142493.db2.gz BSWHBQFKVNUGFD-QGZVFWFLSA-N 1 0 407.474 3.735 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000302173030 971195274 /nfs/dbraw/zinc/19/52/74/971195274.db2.gz MYOZGWSQPOZCSC-LAUBAEHRSA-N 1 0 408.502 3.763 20 5 HHBDRO CCOc1ccccc1C(=O)N1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000302200727 971205925 /nfs/dbraw/zinc/20/59/25/971205925.db2.gz VBFLZKJSQRBHDR-UHFFFAOYSA-N 1 0 420.469 3.813 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302613470 971264083 /nfs/dbraw/zinc/26/40/83/971264083.db2.gz FNTCHRUGFJFQHQ-INIZCTEOSA-N 1 0 417.531 3.985 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000302680766 971277737 /nfs/dbraw/zinc/27/77/37/971277737.db2.gz WPWHEAMEHSRKJO-INIZCTEOSA-N 1 0 417.531 3.842 20 5 HHBDRO COc1cc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000303266172 971587548 /nfs/dbraw/zinc/58/75/48/971587548.db2.gz DXNZAPIPSOWPHM-UHFFFAOYSA-N 1 0 417.893 3.899 20 5 HHBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCc1ccc(Br)cc1 ZINC000303317329 971625270 /nfs/dbraw/zinc/62/52/70/971625270.db2.gz QKPGFSBIGDJBSF-ZDUSSCGKSA-N 1 0 406.280 3.859 20 5 HHBDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000303321896 971628344 /nfs/dbraw/zinc/62/83/44/971628344.db2.gz AFFGLYIHJLKMFY-JOCHJYFZSA-N 1 0 420.469 3.920 20 5 HHBDRO COC(=O)c1cc(C)nc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000553139393 1013098493 /nfs/dbraw/zinc/09/84/93/1013098493.db2.gz MJJMIXOMCDJWSA-QUCCMNQESA-N 1 0 424.501 3.576 20 5 HHBDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000303399680 971682296 /nfs/dbraw/zinc/68/22/96/971682296.db2.gz OQRQQPGBORZJGF-MRXNPFEDSA-N 1 0 403.504 3.537 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303546486 971846184 /nfs/dbraw/zinc/84/61/84/971846184.db2.gz GUZACXGXQMWKKM-RTBURBONSA-N 1 0 402.539 3.818 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000303572098 971864270 /nfs/dbraw/zinc/86/42/70/971864270.db2.gz BUZVNJXYJBJQHK-LPHOPBHVSA-N 1 0 405.539 3.759 20 5 HHBDRO COc1ccc(NC(=O)CCN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000303583845 971876445 /nfs/dbraw/zinc/87/64/45/971876445.db2.gz KWZWHAFFMLPYOS-ROUUACIJSA-N 1 0 418.538 3.518 20 5 HHBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000303651106 971930227 /nfs/dbraw/zinc/93/02/27/971930227.db2.gz KLCMMOGCVIOUIS-MRXNPFEDSA-N 1 0 417.531 3.661 20 5 HHBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000537604659 1013146004 /nfs/dbraw/zinc/14/60/04/1013146004.db2.gz ADVHQFICYCGBAB-QGZVFWFLSA-N 1 0 406.870 3.520 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000542203254 1013147704 /nfs/dbraw/zinc/14/77/04/1013147704.db2.gz RAQZXTKWSYAMLG-QGZVFWFLSA-N 1 0 421.291 3.762 20 5 HHBDRO CCOC(=O)c1cc(NCc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000553253824 1013221820 /nfs/dbraw/zinc/22/18/20/1013221820.db2.gz CJFFOMYBGMRDBD-UHFFFAOYSA-N 1 0 413.474 3.857 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2[N+](=O)[O-])CC1 ZINC000010558275 961852667 /nfs/dbraw/zinc/85/26/67/961852667.db2.gz PNAKVYZPWSZZQP-UHFFFAOYSA-N 1 0 402.539 3.870 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000553441892 1013357289 /nfs/dbraw/zinc/35/72/89/1013357289.db2.gz PCFLHPUIRYXNLE-UHFFFAOYSA-N 1 0 410.518 3.752 20 5 HHBDRO COc1ccc([C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000015387698 962744238 /nfs/dbraw/zinc/74/42/38/962744238.db2.gz HYVRLWCWHKYGTA-FQEVSTJZSA-N 1 0 415.515 3.649 20 5 HHBDRO CC(C)[NH+]1CCC(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000017281399 963176889 /nfs/dbraw/zinc/17/68/89/963176889.db2.gz CNVCOHLORRTFGF-UHFFFAOYSA-N 1 0 418.519 3.680 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000017911486 963239605 /nfs/dbraw/zinc/23/96/05/963239605.db2.gz FMIMXOUNCQIXJN-LJQANCHMSA-N 1 0 403.866 3.824 20 5 HHBDRO COc1cccc([C@@H]2[C@H](Nc3ncnc4sc([N+](=O)[O-])cc43)CC[N@@H+]2C2CC2)c1 ZINC000553518853 1013417785 /nfs/dbraw/zinc/41/77/85/1013417785.db2.gz NQFZBYRXWUWDME-SJLPKXTDSA-N 1 0 411.487 3.998 20 5 HHBDRO COc1cc(C)c(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000024805161 964077440 /nfs/dbraw/zinc/07/74/40/964077440.db2.gz PCCNJOPCJGRYDN-UHFFFAOYSA-N 1 0 401.463 3.689 20 5 HHBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000542530444 1013472828 /nfs/dbraw/zinc/47/28/28/1013472828.db2.gz FVVIQZIUFGZFQS-LLVKDONJSA-N 1 0 413.400 3.568 20 5 HHBDRO COc1ccc(OCC[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 ZINC000542544403 1013489220 /nfs/dbraw/zinc/48/92/20/1013489220.db2.gz KTUOWHDUTKAKNX-AWEZNQCLSA-N 1 0 414.437 3.966 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000553608744 1013495422 /nfs/dbraw/zinc/49/54/22/1013495422.db2.gz NPIFTSKKPJYINL-RXVVDRJESA-N 1 0 410.518 3.832 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](c2ccccc2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000026230654 964495620 /nfs/dbraw/zinc/49/56/20/964495620.db2.gz KKUQNYXPWPNNEJ-QFIPXVFZSA-N 1 0 406.442 3.706 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000026340965 964530234 /nfs/dbraw/zinc/53/02/34/964530234.db2.gz NSVAIOWLSZXMIX-QGZVFWFLSA-N 1 0 410.474 3.583 20 5 HHBDRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 ZINC000537918565 1013503622 /nfs/dbraw/zinc/50/36/22/1013503622.db2.gz YTYXHXJGGBPGQL-HNNXBMFYSA-N 1 0 413.474 3.567 20 5 HHBDRO CNc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000027667399 964940040 /nfs/dbraw/zinc/94/00/40/964940040.db2.gz LNCHRVLLNGYZPI-OAQYLSRUSA-N 1 0 412.490 3.602 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000537954766 1013535171 /nfs/dbraw/zinc/53/51/71/1013535171.db2.gz UDMQFJKSYFMUNH-CYBMUJFWSA-N 1 0 406.280 3.907 20 5 HHBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2cc(Cl)ccc2OC)c([N+](=O)[O-])c1 ZINC000027739556 964955329 /nfs/dbraw/zinc/95/53/29/964955329.db2.gz JPDYJTRVBIUJLA-UHFFFAOYSA-N 1 0 407.854 3.726 20 5 HHBDRO CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000052968172 965032493 /nfs/dbraw/zinc/03/24/93/965032493.db2.gz NBPQVUNUTCUTAL-UHFFFAOYSA-N 1 0 406.280 3.860 20 5 HHBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000053016676 965040494 /nfs/dbraw/zinc/04/04/94/965040494.db2.gz KUOVCTLKZQQSJZ-UHFFFAOYSA-N 1 0 407.474 3.551 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cccc1[N+](=O)[O-] ZINC000028351253 965083009 /nfs/dbraw/zinc/08/30/09/965083009.db2.gz FJEUBTXOFSVPSI-GJZGRUSLSA-N 1 0 410.474 3.930 20 5 HHBDRO Cc1c([C@H](C)[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000537977953 1013553989 /nfs/dbraw/zinc/55/39/89/1013553989.db2.gz BSECLXUUZCWLEV-KRWDZBQOSA-N 1 0 417.531 3.655 20 5 HHBDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537986444 1013561091 /nfs/dbraw/zinc/56/10/91/1013561091.db2.gz HVWCXVLWNFWMOW-HXUWFJFHSA-N 1 0 403.504 3.620 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CCN(CC(F)(F)F)CC3)cs2)c1 ZINC000553724414 1013573529 /nfs/dbraw/zinc/57/35/29/1013573529.db2.gz YRUUODQTGJXFIH-UHFFFAOYSA-N 1 0 400.426 3.835 20 5 HHBDRO Cc1ccccc1C[N@@H+]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000030153737 965621565 /nfs/dbraw/zinc/62/15/65/965621565.db2.gz YFWYXYBQDAFRJQ-UHFFFAOYSA-N 1 0 416.909 3.703 20 5 HHBDRO CCOc1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000058531065 965771311 /nfs/dbraw/zinc/77/13/11/965771311.db2.gz ZEHFHIMJEKDNEE-UHFFFAOYSA-N 1 0 401.438 3.527 20 5 HHBDRO CC(C)[C@@H](CSc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542680618 1013602030 /nfs/dbraw/zinc/60/20/30/1013602030.db2.gz CJZYUPUCCYBEQQ-LJQANCHMSA-N 1 0 408.545 3.775 20 5 HHBDRO COc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000542683218 1013604313 /nfs/dbraw/zinc/60/43/13/1013604313.db2.gz JKNTZBDGDUBILW-OAHLLOKOSA-N 1 0 414.483 3.881 20 5 HHBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000553774326 1013604564 /nfs/dbraw/zinc/60/45/64/1013604564.db2.gz IPGRXUOIZXLRBB-DMUMMCEESA-N 1 0 414.550 3.776 20 5 HHBDRO C[N@H+](CCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCCCC1 ZINC000031145004 965910980 /nfs/dbraw/zinc/91/09/80/965910980.db2.gz LJOKOWYQIULLDT-UHFFFAOYSA-N 1 0 405.542 3.926 20 5 HHBDRO C[C@H]1CCC[C@@](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)([NH+](C)C)C1 ZINC000059891254 966040289 /nfs/dbraw/zinc/04/02/89/966040289.db2.gz DKKMYSKPZZZENJ-AVRWGWEMSA-N 1 0 405.542 3.781 20 5 HHBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000031566248 966053868 /nfs/dbraw/zinc/05/38/68/966053868.db2.gz MQJZXYHHDTYMQH-OAQYLSRUSA-N 1 0 422.529 3.592 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c1 ZINC000542714388 1013626814 /nfs/dbraw/zinc/62/68/14/1013626814.db2.gz BYVQGCIVMNTWTF-UHFFFAOYSA-N 1 0 403.504 3.917 20 5 HHBDRO O=C(NCc1ccc(F)cc1)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055904110 966134188 /nfs/dbraw/zinc/13/41/88/966134188.db2.gz PRIOQXXFRQBXSB-UHFFFAOYSA-N 1 0 415.465 3.531 20 5 HHBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000031960136 966162665 /nfs/dbraw/zinc/16/26/65/966162665.db2.gz JWNWRPQNOFTUAU-UHFFFAOYSA-N 1 0 405.545 3.901 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000056154195 966236987 /nfs/dbraw/zinc/23/69/87/966236987.db2.gz MZLROVHWPXFIGZ-KBPBESRZSA-N 1 0 417.462 3.607 20 5 HHBDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000056153849 966237003 /nfs/dbraw/zinc/23/70/03/966237003.db2.gz KGWHGYCQAWNJIM-CABCVRRESA-N 1 0 401.463 3.907 20 5 HHBDRO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196456 966254679 /nfs/dbraw/zinc/25/46/79/966254679.db2.gz YRHXTHPXKWQAIB-CVEARBPZSA-N 1 0 412.490 3.755 20 5 HHBDRO CCOc1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000032762119 966324904 /nfs/dbraw/zinc/32/49/04/966324904.db2.gz ZMHNXRXNQAGQMB-MRXNPFEDSA-N 1 0 419.503 3.631 20 5 HHBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000032892223 966344644 /nfs/dbraw/zinc/34/46/44/966344644.db2.gz QAKDWZJVEIOCTJ-INIZCTEOSA-N 1 0 414.531 3.774 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000056458998 966344947 /nfs/dbraw/zinc/34/49/47/966344947.db2.gz LNXDYMTVBJHXRP-FQEVSTJZSA-N 1 0 412.490 3.630 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061568702 966504320 /nfs/dbraw/zinc/50/43/20/966504320.db2.gz OMQRGRGPCFTHBH-UHFFFAOYSA-N 1 0 416.547 3.877 20 5 HHBDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000062488646 966689823 /nfs/dbraw/zinc/68/98/23/966689823.db2.gz QSWXKBZZLZJNIG-CQSZACIVSA-N 1 0 406.433 3.707 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCCCNc3nc4sccn4c3[N+](=O)[O-])CC2)c1 ZINC000042100109 966718081 /nfs/dbraw/zinc/71/80/81/966718081.db2.gz ZHTPLMBXUWFJNH-UHFFFAOYSA-N 1 0 414.535 3.627 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000063710518 966934692 /nfs/dbraw/zinc/93/46/92/966934692.db2.gz FZUGUFXLRMIMCA-GOSISDBHSA-N 1 0 402.539 3.681 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000063843179 966975745 /nfs/dbraw/zinc/97/57/45/966975745.db2.gz BLVXAKAZYGTDEK-UHFFFAOYSA-N 1 0 410.474 3.727 20 5 HHBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064346895 967150212 /nfs/dbraw/zinc/15/02/12/967150212.db2.gz BCQYAEHXWREPQL-UHFFFAOYSA-N 1 0 403.526 3.963 20 5 HHBDRO COc1ccc(C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C2CC2)cc1 ZINC000064641462 967256032 /nfs/dbraw/zinc/25/60/32/967256032.db2.gz KXUISPWORYXARJ-MRXNPFEDSA-N 1 0 409.486 3.793 20 5 HHBDRO C[N@H+](CCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000064897653 967322090 /nfs/dbraw/zinc/32/20/90/967322090.db2.gz DOVAIMZHJLJTKR-UHFFFAOYSA-N 1 0 410.499 3.970 20 5 HHBDRO CCC[NH+]1CCC(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000065043100 967355615 /nfs/dbraw/zinc/35/56/15/967355615.db2.gz IFXIIMRQXPNYSP-MRXNPFEDSA-N 1 0 411.506 3.767 20 5 HHBDRO CC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1OC(F)F ZINC000538155345 1013716287 /nfs/dbraw/zinc/71/62/87/1013716287.db2.gz URESEHZZSOWRGP-INIZCTEOSA-N 1 0 405.401 3.826 20 5 HHBDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065109989 967382152 /nfs/dbraw/zinc/38/21/52/967382152.db2.gz OQCNXDSYABFLHV-UHFFFAOYSA-N 1 0 423.498 3.508 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000065141048 967391804 /nfs/dbraw/zinc/39/18/04/967391804.db2.gz CNIIQKDRINMRTB-VQIMIIECSA-N 1 0 419.485 3.561 20 5 HHBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[NH+](CC2CCCCC2)CC1 ZINC000065413683 967456887 /nfs/dbraw/zinc/45/68/87/967456887.db2.gz HXCWRNPLBQPIKH-UHFFFAOYSA-N 1 0 412.437 3.926 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OCC ZINC000538168189 1013728728 /nfs/dbraw/zinc/72/87/28/1013728728.db2.gz QZUPSCBVRRDDOG-HNNXBMFYSA-N 1 0 401.463 3.990 20 5 HHBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000538164148 1013725313 /nfs/dbraw/zinc/72/53/13/1013725313.db2.gz VUCCWBYFQZLHPE-ZDUSSCGKSA-N 1 0 411.380 3.850 20 5 HHBDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000542885128 1013732812 /nfs/dbraw/zinc/73/28/12/1013732812.db2.gz PFQPMNZBVXZWSH-VFNWGFHPSA-N 1 0 405.458 3.545 20 5 HHBDRO Cc1cccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1[N+](=O)[O-] ZINC000045941226 967601956 /nfs/dbraw/zinc/60/19/56/967601956.db2.gz PGSYBDRUFNEOEB-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000046624166 967888766 /nfs/dbraw/zinc/88/87/66/967888766.db2.gz JPCIACYNBHYFKJ-GJZGRUSLSA-N 1 0 417.893 3.787 20 5 HHBDRO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000538200146 1013755543 /nfs/dbraw/zinc/75/55/43/1013755543.db2.gz VEWFSVJOELWZQE-CVEARBPZSA-N 1 0 400.401 3.548 20 5 HHBDRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000047262045 968109187 /nfs/dbraw/zinc/10/91/87/968109187.db2.gz OAHRIDZOWJZNKA-UHFFFAOYSA-N 1 0 419.279 3.603 20 5 HHBDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1)C[C@H]1CCCCO1 ZINC000538219579 1013771148 /nfs/dbraw/zinc/77/11/48/1013771148.db2.gz IKCNCJPWFWQPGA-LJQANCHMSA-N 1 0 400.479 3.955 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047285345 968121724 /nfs/dbraw/zinc/12/17/24/968121724.db2.gz JGYKZFXIMICNNM-UHFFFAOYSA-N 1 0 405.882 3.899 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(-c2cccnc2)cc1 ZINC000538224179 1013773883 /nfs/dbraw/zinc/77/38/83/1013773883.db2.gz PFLXDIJHNIOSQY-MRXNPFEDSA-N 1 0 402.454 3.897 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000047417088 968183088 /nfs/dbraw/zinc/18/30/88/968183088.db2.gz QLBJZPOWWSBUJK-KDURUIRLSA-N 1 0 405.542 3.639 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000047417092 968183202 /nfs/dbraw/zinc/18/32/02/968183202.db2.gz QLBJZPOWWSBUJK-RTBURBONSA-N 1 0 405.542 3.639 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC000047608583 968257256 /nfs/dbraw/zinc/25/72/56/968257256.db2.gz FFBQNYUAYZSMHC-UONOGXRCSA-N 1 0 417.462 3.689 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000538269204 1013809524 /nfs/dbraw/zinc/80/95/24/1013809524.db2.gz VPOMLQOEZVRNBT-GJZGRUSLSA-N 1 0 423.473 3.775 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[NH+](C)C)c1 ZINC000069366718 968831059 /nfs/dbraw/zinc/83/10/59/968831059.db2.gz NPQRFCNTUNCMKX-IFXJQAMLSA-N 1 0 403.504 3.503 20 5 HHBDRO CC(C)[N@H+](C)CCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000079050771 969030127 /nfs/dbraw/zinc/03/01/27/969030127.db2.gz IBTPLRGYIXTQJJ-UHFFFAOYSA-N 1 0 418.881 3.571 20 5 HHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000096955694 969063213 /nfs/dbraw/zinc/06/32/13/969063213.db2.gz YLACYSBMAXPYQN-AWEZNQCLSA-N 1 0 419.445 3.628 20 5 HHBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000097043560 969084135 /nfs/dbraw/zinc/08/41/35/969084135.db2.gz BZDYMDMPRZQOOL-UHFFFAOYSA-N 1 0 421.419 3.891 20 5 HHBDRO CC[NH+]1CCN(Cc2ccccc2CNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000106183735 969298026 /nfs/dbraw/zinc/29/80/26/969298026.db2.gz RZTCPZASZKPUPY-UHFFFAOYSA-N 1 0 405.502 3.893 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000108015712 969351475 /nfs/dbraw/zinc/35/14/75/969351475.db2.gz FVDBTXCUNSLAID-QZTJIDSGSA-N 1 0 402.539 3.683 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000108785181 969419183 /nfs/dbraw/zinc/41/91/83/969419183.db2.gz REMGYVNUAOIJRB-KRWDZBQOSA-N 1 0 423.517 3.863 20 5 HHBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)C[NH+]1CCCCC1 ZINC000109117458 969464263 /nfs/dbraw/zinc/46/42/63/969464263.db2.gz YCSTYGWOKPDWNK-SFHVURJKSA-N 1 0 402.539 3.683 20 5 HHBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000109980275 969604217 /nfs/dbraw/zinc/60/42/17/969604217.db2.gz SCSMJQGHEJBILH-AWEZNQCLSA-N 1 0 417.428 3.920 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000110201283 969636381 /nfs/dbraw/zinc/63/63/81/969636381.db2.gz WGQGLRHGAYPCGJ-UHFFFAOYSA-N 1 0 420.513 3.717 20 5 HHBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2cc(C)c(OC)c(C)c2)c([N+](=O)[O-])c1 ZINC000110287767 969648117 /nfs/dbraw/zinc/64/81/17/969648117.db2.gz VXQZGJFXMXDKOR-UHFFFAOYSA-N 1 0 401.463 3.689 20 5 HHBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000110293789 969649175 /nfs/dbraw/zinc/64/91/75/969649175.db2.gz TXFGCZDMGXNKFU-ZWKOTPCHSA-N 1 0 417.531 3.655 20 5 HHBDRO O=C(C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1)N1CCc2ccccc21 ZINC000195684754 969954362 /nfs/dbraw/zinc/95/43/62/969954362.db2.gz WTBBRLONTDGLTH-UHFFFAOYSA-N 1 0 409.486 3.665 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)c1 ZINC000195691914 969960797 /nfs/dbraw/zinc/96/07/97/969960797.db2.gz XNAWPBWSYIVWQG-UHFFFAOYSA-N 1 0 410.518 3.544 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000229933370 970133376 /nfs/dbraw/zinc/13/33/76/970133376.db2.gz AMMUASPBELURSJ-HUUCEWRRSA-N 1 0 424.457 3.951 20 5 HHBDRO CC1CC[NH+](C[C@H](O)CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000236627075 970148196 /nfs/dbraw/zinc/14/81/96/970148196.db2.gz LKWYWYPZBMPIKT-LJQANCHMSA-N 1 0 417.481 3.709 20 5 HHBDRO CC(C)[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCN(C)CC1 ZINC000236690648 970156090 /nfs/dbraw/zinc/15/60/90/970156090.db2.gz ZAVUBOFWCHRUNE-FQEVSTJZSA-N 1 0 420.941 3.870 20 5 HHBDRO C[C@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000142830025 970170306 /nfs/dbraw/zinc/17/03/06/970170306.db2.gz MOTMIJFLDQZLKY-INIZCTEOSA-N 1 0 414.531 3.625 20 5 HHBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000236877650 970182946 /nfs/dbraw/zinc/18/29/46/970182946.db2.gz IHXJUHMJLFGRHD-IAGOWNOFSA-N 1 0 418.412 3.982 20 5 HHBDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000237011389 970207097 /nfs/dbraw/zinc/20/70/97/970207097.db2.gz DXRLNAKLAUCWII-HNNXBMFYSA-N 1 0 408.545 3.967 20 5 HHBDRO COc1cc(C[NH2+]CCOc2cccc(Br)c2)c([N+](=O)[O-])cc1OC ZINC000237183260 970237545 /nfs/dbraw/zinc/23/75/45/970237545.db2.gz SAORKNUATZKNES-UHFFFAOYSA-N 1 0 411.252 3.543 20 5 HHBDRO COc1ccc(C[NH2+]CCC(=O)Nc2cc(Br)ccc2C)cc1[N+](=O)[O-] ZINC000237339402 970266597 /nfs/dbraw/zinc/26/65/97/970266597.db2.gz XQEGBKYCMRZAGB-UHFFFAOYSA-N 1 0 422.279 3.793 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000146041354 970278762 /nfs/dbraw/zinc/27/87/62/970278762.db2.gz UCZDVSAKHJAGIP-UHFFFAOYSA-N 1 0 414.531 3.974 20 5 HHBDRO COc1cc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237417958 970281766 /nfs/dbraw/zinc/28/17/66/970281766.db2.gz JTGQAIRJVFJOOY-SFTDATJTSA-N 1 0 411.502 3.899 20 5 HHBDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000237544385 970310182 /nfs/dbraw/zinc/31/01/82/970310182.db2.gz RKLNYFYDUDLZHA-OBJZWFGXSA-N 1 0 409.486 3.647 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@H](O)C3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000237872510 970385626 /nfs/dbraw/zinc/38/56/26/970385626.db2.gz FZBQAQASFPPSLM-HXUWFJFHSA-N 1 0 402.516 3.932 20 5 HHBDRO NC(=O)COc1cccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000237885577 970388913 /nfs/dbraw/zinc/38/89/13/970388913.db2.gz BKIYJNYILKNYLC-UHFFFAOYSA-N 1 0 415.833 3.662 20 5 HHBDRO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000237918570 970394277 /nfs/dbraw/zinc/39/42/77/970394277.db2.gz PSNPFEUXTZEFTE-VXGBXAGGSA-N 1 0 422.279 3.751 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000237940781 970400997 /nfs/dbraw/zinc/40/09/97/970400997.db2.gz XOYQSDSJWGTFLH-GZNAHNRGSA-N 1 0 401.894 3.925 20 5 HHBDRO Cc1ccc(NS(=O)(=O)c2ccc(NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000247954406 970492648 /nfs/dbraw/zinc/49/26/48/970492648.db2.gz ZKQZIJZLGOYUKT-UHFFFAOYSA-N 1 0 420.535 3.765 20 5 HHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000248088760 970507521 /nfs/dbraw/zinc/50/75/21/970507521.db2.gz BSEIGOYYIISQMD-HNNXBMFYSA-N 1 0 403.504 3.791 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000554729046 1014033256 /nfs/dbraw/zinc/03/32/56/1014033256.db2.gz BVXABFPUMPALQC-OAHLLOKOSA-N 1 0 403.429 3.539 20 5 HHBDRO CC[NH+]1CCN(c2ccc(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cn2)CC1 ZINC000301111448 970753900 /nfs/dbraw/zinc/75/39/00/970753900.db2.gz RPTOQTPCFPEPAK-UHFFFAOYSA-N 1 0 409.412 3.763 20 5 HHBDRO CSc1cccc(-c2nc(-c3ccc(OCC[NH+](C)C)cc3)no2)c1[N+](=O)[O-] ZINC000554795985 1014050048 /nfs/dbraw/zinc/05/00/48/1014050048.db2.gz WLBSCJZFNUVXDB-UHFFFAOYSA-N 1 0 400.460 3.974 20 5 HHBDRO COc1cccc([C@H](CNc2ncc([N+](=O)[O-])c(C)c2Br)[NH+](C)C)c1 ZINC000328017575 972765063 /nfs/dbraw/zinc/76/50/63/972765063.db2.gz XMFFSJFTIWTMPT-HNNXBMFYSA-N 1 0 409.284 3.784 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000384551540 972794280 /nfs/dbraw/zinc/79/42/80/972794280.db2.gz USIMTRKOQOBZPK-UHFFFAOYSA-N 1 0 406.280 3.561 20 5 HHBDRO COC(=O)[C@H](C)Oc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000425957977 974063112 /nfs/dbraw/zinc/06/31/12/974063112.db2.gz DKVFDOUHGYFSAC-LBPRGKRZSA-N 1 0 412.364 3.844 20 5 HHBDRO COc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1OCc1ccncc1 ZINC000425977805 974086377 /nfs/dbraw/zinc/08/63/77/974086377.db2.gz WMYGSQMIRLJMFT-UHFFFAOYSA-N 1 0 423.473 3.611 20 5 HHBDRO C[C@@H](CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000426189378 974298985 /nfs/dbraw/zinc/29/89/85/974298985.db2.gz AOFCEYVNWPBMKJ-ZDUSSCGKSA-N 1 0 402.417 3.677 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[NH+](C)C)c1 ZINC000426258618 974352158 /nfs/dbraw/zinc/35/21/58/974352158.db2.gz VHOMEQNVZORCLL-OAQYLSRUSA-N 1 0 412.490 3.580 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426388531 974427261 /nfs/dbraw/zinc/42/72/61/974427261.db2.gz HGPMHMZCLOIVRC-OAQYLSRUSA-N 1 0 422.529 3.833 20 5 HHBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc(OCc3ccccc3)ccc1[N+](=O)[O-])CC2 ZINC000427069625 974875491 /nfs/dbraw/zinc/87/54/91/974875491.db2.gz MHSTWOWILOZUJH-UHFFFAOYSA-N 1 0 409.486 3.874 20 5 HHBDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000427299042 975035155 /nfs/dbraw/zinc/03/51/55/975035155.db2.gz IQISAVMPBMODON-GJZGRUSLSA-N 1 0 409.914 3.600 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000427644972 975221874 /nfs/dbraw/zinc/22/18/74/975221874.db2.gz LGCFNLNNIOFPMZ-UHFFFAOYSA-N 1 0 424.482 3.662 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000427900999 975339453 /nfs/dbraw/zinc/33/94/53/975339453.db2.gz AIORMHPWNPNNQL-RTWAWAEBSA-N 1 0 423.513 3.653 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccccc1 ZINC000427915414 975347677 /nfs/dbraw/zinc/34/76/77/975347677.db2.gz TWKBREUWJZIHGY-FQEVSTJZSA-N 1 0 422.485 3.721 20 5 HHBDRO CC[C@H]1CN(CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCO1 ZINC000428068867 975416313 /nfs/dbraw/zinc/41/63/13/975416313.db2.gz CXBNIPZXJROFBU-SFHVURJKSA-N 1 0 421.563 3.718 20 5 HHBDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000428480549 975778850 /nfs/dbraw/zinc/77/88/50/975778850.db2.gz IIGXCZOVLJQHTN-GFCCVEGCSA-N 1 0 413.421 3.824 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000428541012 975843588 /nfs/dbraw/zinc/84/35/88/975843588.db2.gz DMAVJXTUXUDWNV-RRGWEWPQSA-N 1 0 405.292 3.811 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000428550703 975860031 /nfs/dbraw/zinc/86/00/31/975860031.db2.gz VYIIZZMIUDGGCX-GTBONMDNSA-N 1 0 405.292 3.811 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)cc2[N+](=O)[O-])C1 ZINC000428727959 976013906 /nfs/dbraw/zinc/01/39/06/976013906.db2.gz ZQQSAHNBSVVKJX-PIKOESSRSA-N 1 0 414.550 3.633 20 5 HHBDRO C[C@@H](NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000428809364 976088134 /nfs/dbraw/zinc/08/81/34/976088134.db2.gz VNQFOKPRXLSWLE-FGTMMUONSA-N 1 0 418.538 3.577 20 5 HHBDRO Cc1noc(C[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000429472510 976739115 /nfs/dbraw/zinc/73/91/15/976739115.db2.gz PMIYNMDVWWGPPT-LIRRHRJNSA-N 1 0 409.446 3.577 20 5 HHBDRO CCOC(=O)c1csc(C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000429574009 976843213 /nfs/dbraw/zinc/84/32/13/976843213.db2.gz DKCQJCASJPVVIU-UHFFFAOYSA-N 1 0 419.503 3.877 20 5 HHBDRO CC(C)(C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1[N+](=O)[O-] ZINC000429808030 977082475 /nfs/dbraw/zinc/08/24/75/977082475.db2.gz JZDXFMVZFFMUNF-INIZCTEOSA-N 1 0 401.532 3.962 20 5 HHBDRO CC(C)(NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000430544372 977624050 /nfs/dbraw/zinc/62/40/50/977624050.db2.gz OEOXASCGDAWCDS-UHFFFAOYSA-N 1 0 410.518 3.549 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000430662397 977675055 /nfs/dbraw/zinc/67/50/55/977675055.db2.gz IBLAFWUOQRABFE-YLJYHZDGSA-N 1 0 406.486 3.719 20 5 HHBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431023567 977961209 /nfs/dbraw/zinc/96/12/09/977961209.db2.gz RQRJFCPKTOANHW-CYBMUJFWSA-N 1 0 412.328 3.988 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000431097538 978017058 /nfs/dbraw/zinc/01/70/58/978017058.db2.gz BRNUOOWUGBSAMY-UHFFFAOYSA-N 1 0 417.554 3.563 20 5 HHBDRO CCc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000431173815 978073093 /nfs/dbraw/zinc/07/30/93/978073093.db2.gz VXDXWYBZBVCXLM-GOSISDBHSA-N 1 0 420.307 3.952 20 5 HHBDRO CC(C)CC[NH+]1CCC(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000431565290 978361939 /nfs/dbraw/zinc/36/19/39/978361939.db2.gz PASOFHWJCPCUOG-UHFFFAOYSA-N 1 0 416.566 3.686 20 5 HHBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000431920703 978602317 /nfs/dbraw/zinc/60/23/17/978602317.db2.gz FNQUBOIAFPBCHG-HOCLYGCPSA-N 1 0 423.922 3.580 20 5 HHBDRO Cc1cc(OCC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000432188707 978706403 /nfs/dbraw/zinc/70/64/03/978706403.db2.gz XOHZIQOHJKXTAY-NFBKMPQASA-N 1 0 423.513 3.795 20 5 HHBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCCO1 ZINC000432544819 978877441 /nfs/dbraw/zinc/87/74/41/978877441.db2.gz YULGSLGVXYDNHX-QGZVFWFLSA-N 1 0 413.474 3.618 20 5 HHBDRO CC1(C)C[C@@H]([NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433161244 979107488 /nfs/dbraw/zinc/10/74/88/979107488.db2.gz JNGGXPGANONHLB-GOSISDBHSA-N 1 0 414.506 3.552 20 5 HHBDRO CC1(C)C[C@H]([NH2+]CCCS(=O)(=O)Cc2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433175278 979119187 /nfs/dbraw/zinc/11/91/87/979119187.db2.gz LJVVUPXOFLWFSS-FQEVSTJZSA-N 1 0 402.516 3.912 20 5 HHBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433230166 979163530 /nfs/dbraw/zinc/16/35/30/979163530.db2.gz UBHPMZCMAITEQJ-HXUWFJFHSA-N 1 0 415.515 3.647 20 5 HHBDRO CC(C)C[C@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000433920513 979681307 /nfs/dbraw/zinc/68/13/07/979681307.db2.gz FNHIJOSQFZAFQM-DOTOQJQBSA-N 1 0 401.511 3.937 20 5 HHBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000434330308 980094746 /nfs/dbraw/zinc/09/47/46/980094746.db2.gz LJNVUTDNWWGMAL-NRFANRHFSA-N 1 0 419.485 3.728 20 5 HHBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000434427297 980167351 /nfs/dbraw/zinc/16/73/51/980167351.db2.gz ZUNFHZPOKZELHD-INIZCTEOSA-N 1 0 411.452 3.706 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000434781380 980395674 /nfs/dbraw/zinc/39/56/74/980395674.db2.gz FMGZGCQBFXMYFV-MJGOQNOKSA-N 1 0 424.284 3.739 20 5 HHBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000435035547 980586881 /nfs/dbraw/zinc/58/68/81/980586881.db2.gz IFVAQLXZLZUMQX-ZWKOTPCHSA-N 1 0 414.458 3.614 20 5 HHBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435037608 980587343 /nfs/dbraw/zinc/58/73/43/980587343.db2.gz OULQGDSSDGIBCZ-PKOBYXMFSA-N 1 0 420.469 3.879 20 5 HHBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435289338 980761817 /nfs/dbraw/zinc/76/18/17/980761817.db2.gz NOPWXPOGJONSSK-INIZCTEOSA-N 1 0 411.487 3.861 20 5 HHBDRO Cc1c(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435328879 980787364 /nfs/dbraw/zinc/78/73/64/980787364.db2.gz NGEHZBDXCHBHEX-UHFFFAOYSA-N 1 0 411.300 3.758 20 5 HHBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000435330949 980789491 /nfs/dbraw/zinc/78/94/91/980789491.db2.gz XPDIHLWUUXNERM-XHDPSFHLSA-N 1 0 413.316 3.860 20 5 HHBDRO Cc1c(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435334140 980792667 /nfs/dbraw/zinc/79/26/67/980792667.db2.gz WUMWSELRVHGJLN-LBPRGKRZSA-N 1 0 413.316 3.860 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435369064 980817648 /nfs/dbraw/zinc/81/76/48/980817648.db2.gz KERZNDAWJHSJRG-IBGZPJMESA-N 1 0 423.448 3.559 20 5 HHBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435371319 980820687 /nfs/dbraw/zinc/82/06/87/980820687.db2.gz UMOZTUIFRGURGT-NRFANRHFSA-N 1 0 419.485 3.810 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)c2cccc(OC)c2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000435635979 980969971 /nfs/dbraw/zinc/96/99/71/980969971.db2.gz IGOOTQHIGNRSMT-LJQANCHMSA-N 1 0 413.474 3.569 20 5 HHBDRO COc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000435668320 980979792 /nfs/dbraw/zinc/97/97/92/980979792.db2.gz XJSNNQSBLPYAIB-INIZCTEOSA-N 1 0 403.504 3.868 20 5 HHBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1 ZINC000435889951 981078869 /nfs/dbraw/zinc/07/88/69/981078869.db2.gz QPYLSOUHAUHHFA-SJCJKPOMSA-N 1 0 404.264 3.813 20 5 HHBDRO COc1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc1[N+](=O)[O-] ZINC000436046502 981177801 /nfs/dbraw/zinc/17/78/01/981177801.db2.gz CLHLTPOIHVCFAK-UHFFFAOYSA-N 1 0 422.485 3.963 20 5 HHBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436134158 981214152 /nfs/dbraw/zinc/21/41/52/981214152.db2.gz PHKQADULJOMKBP-ZIAGYGMSSA-N 1 0 413.468 3.810 20 5 HHBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC([NH+]2CCCCC2)CC1 ZINC000436177802 981236545 /nfs/dbraw/zinc/23/65/45/981236545.db2.gz RKFWONPWDSYIBE-UHFFFAOYSA-N 1 0 407.489 3.911 20 5 HHBDRO C[NH+](C)CCOc1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 ZINC000436254446 981271038 /nfs/dbraw/zinc/27/10/38/981271038.db2.gz QZQDGNOHIJVGMY-UHFFFAOYSA-N 1 0 401.466 3.874 20 5 HHBDRO C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[NH+]1CCC(C)CC1 ZINC000436320415 981296731 /nfs/dbraw/zinc/29/67/31/981296731.db2.gz VVBBFYGHFCNDLA-AWEZNQCLSA-N 1 0 413.468 3.810 20 5 HHBDRO CCOc1cc(C[NH2+][C@@H]2CC[C@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000436408176 981352654 /nfs/dbraw/zinc/35/26/54/981352654.db2.gz KSNAWVPQXPXBLE-MAUKXSAKSA-N 1 0 402.495 3.856 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)O[C@]4(CCO[C@H]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000448362976 981724559 /nfs/dbraw/zinc/72/45/59/981724559.db2.gz PLUTWTNZYPAUKZ-VFCRVFHLSA-N 1 0 402.447 3.632 20 5 HHBDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000437062871 981734830 /nfs/dbraw/zinc/73/48/30/981734830.db2.gz YPLAVZUAMOOUKH-UHFFFAOYSA-N 1 0 424.501 3.566 20 5 HHBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000448425367 981771474 /nfs/dbraw/zinc/77/14/74/981771474.db2.gz KFAUQJLGXDSVSH-IBGZPJMESA-N 1 0 405.542 3.639 20 5 HHBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448444715 981782844 /nfs/dbraw/zinc/78/28/44/981782844.db2.gz CGUGVDMRCPFFJQ-PGRDOPGGSA-N 1 0 415.537 3.630 20 5 HHBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000448471789 981811970 /nfs/dbraw/zinc/81/19/70/981811970.db2.gz MFQGFRZFLBVDHJ-SFHVURJKSA-N 1 0 418.538 3.516 20 5 HHBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000437197927 981855775 /nfs/dbraw/zinc/85/57/75/981855775.db2.gz YVQJJJBOKUHMHN-KRWDZBQOSA-N 1 0 413.474 3.952 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437214185 981871550 /nfs/dbraw/zinc/87/15/50/981871550.db2.gz FDOOJNCGDGZOFG-UHFFFAOYSA-N 1 0 413.371 3.957 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437239628 981897239 /nfs/dbraw/zinc/89/72/39/981897239.db2.gz XMCKMVYOBRJVJS-INIZCTEOSA-N 1 0 421.419 3.908 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCC=C(C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000437345534 981995288 /nfs/dbraw/zinc/99/52/88/981995288.db2.gz KZYNFYJPIOZDCQ-UHFFFAOYSA-N 1 0 400.479 3.729 20 5 HHBDRO C[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000437484092 982111473 /nfs/dbraw/zinc/11/14/73/982111473.db2.gz INZAHIXIEGYSQI-GOSISDBHSA-N 1 0 419.485 3.517 20 5 HHBDRO C[C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000437484595 982112068 /nfs/dbraw/zinc/11/20/68/982112068.db2.gz VYFGVNAAZVRCNS-GOSISDBHSA-N 1 0 419.485 3.517 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000460351318 982124041 /nfs/dbraw/zinc/12/40/41/982124041.db2.gz AMAKDKHFQUNUEO-IAGOWNOFSA-N 1 0 421.501 3.891 20 5 HHBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000437698755 982304279 /nfs/dbraw/zinc/30/42/79/982304279.db2.gz WSESKSWLOKPIQF-GOSISDBHSA-N 1 0 412.490 3.979 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000438604337 982932736 /nfs/dbraw/zinc/93/27/36/982932736.db2.gz ULGMPMVQGKVHCW-MRXNPFEDSA-N 1 0 411.506 3.719 20 5 HHBDRO CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000438662300 982979850 /nfs/dbraw/zinc/97/98/50/982979850.db2.gz WSJXMMXRHHQUIC-PXNSSMCTSA-N 1 0 424.501 3.526 20 5 HHBDRO Cc1ccc(C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCc3ccccc32)cc1 ZINC000438752338 983045740 /nfs/dbraw/zinc/04/57/40/983045740.db2.gz GBNYIQPFTGQKAQ-FYYLOGMGSA-N 1 0 406.486 3.650 20 5 HHBDRO O=C(CSc1ccccc1[N+](=O)[O-])N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461430178 983092887 /nfs/dbraw/zinc/09/28/87/983092887.db2.gz WZSMFSQAJPIYOL-RTBURBONSA-N 1 0 411.527 3.667 20 5 HHBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439038 983102628 /nfs/dbraw/zinc/10/26/28/983102628.db2.gz OAGXMSBBKMMQFX-RBUKOAKNSA-N 1 0 404.470 3.670 20 5 HHBDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000439014666 983210658 /nfs/dbraw/zinc/21/06/58/983210658.db2.gz ITNVLQZZHAQONU-FDPIWHGQSA-N 1 0 400.479 3.796 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000439097537 983249086 /nfs/dbraw/zinc/24/90/86/983249086.db2.gz FQHHWZQKLOUNHN-UHFFFAOYSA-N 1 0 404.854 3.506 20 5 HHBDRO Cc1c(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000439169235 983287785 /nfs/dbraw/zinc/28/77/85/983287785.db2.gz MXIITJPCXAHETE-FYYLOGMGSA-N 1 0 407.514 3.959 20 5 HHBDRO CC(C)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000439501782 983430892 /nfs/dbraw/zinc/43/08/92/983430892.db2.gz FBDUTUMQMOXJLM-UHFFFAOYSA-N 1 0 411.502 3.605 20 5 HHBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000439698791 983507360 /nfs/dbraw/zinc/50/73/60/983507360.db2.gz WMXUVNYIUHEMKJ-IBGZPJMESA-N 1 0 405.542 3.781 20 5 HHBDRO CC(C)[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCOCC1 ZINC000440696357 983857164 /nfs/dbraw/zinc/85/71/64/983857164.db2.gz XGIXDOVEQGQCFB-UHFFFAOYSA-N 1 0 404.492 3.546 20 5 HHBDRO CCCOc1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C2 ZINC000441082727 984059797 /nfs/dbraw/zinc/05/97/97/984059797.db2.gz YGUNSLUHTOFVQD-UHFFFAOYSA-N 1 0 413.474 3.779 20 5 HHBDRO C[C@@H](O)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441233324 984129367 /nfs/dbraw/zinc/12/93/67/984129367.db2.gz ZMVLVECEPNQBQL-ZIAGYGMSSA-N 1 0 402.882 3.939 20 5 HHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441659134 984379318 /nfs/dbraw/zinc/37/93/18/984379318.db2.gz OEMDHJUNEURRAU-DXIQSLLYSA-N 1 0 409.486 3.941 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000461696935 984713778 /nfs/dbraw/zinc/71/37/78/984713778.db2.gz XFFQXUBRYDVDJW-CVEARBPZSA-N 1 0 413.522 3.869 20 5 HHBDRO COC(=O)C1CC[NH+](CCCNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461781011 984776808 /nfs/dbraw/zinc/77/68/08/984776808.db2.gz ZGQXCTFXWCHHDJ-UHFFFAOYSA-N 1 0 403.401 3.609 20 5 HHBDRO C[NH+](C)[C@]1(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCSC1 ZINC000442688722 985159835 /nfs/dbraw/zinc/15/98/35/985159835.db2.gz LZPVUXNTTSHYJQ-FQEVSTJZSA-N 1 0 417.556 3.913 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(c4noc(C5CC5)n4)CC3)o2)c1 ZINC000462240457 985222257 /nfs/dbraw/zinc/22/22/57/985222257.db2.gz XGXHPTAONREHMI-UHFFFAOYSA-N 1 0 409.446 3.932 20 5 HHBDRO Cc1cc(N2CC[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1Br ZINC000462361920 985349268 /nfs/dbraw/zinc/34/92/68/985349268.db2.gz ZGPHEHGBAVTYCF-QGZVFWFLSA-N 1 0 404.264 3.561 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000462557565 985505846 /nfs/dbraw/zinc/50/58/46/985505846.db2.gz VJRSRTBUBPTJJN-ZFWWWQNUSA-N 1 0 404.385 3.592 20 5 HHBDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000443735910 985949102 /nfs/dbraw/zinc/94/91/02/985949102.db2.gz VYDHSUNFOVOBPZ-UHFFFAOYSA-N 1 0 415.943 3.570 20 5 HHBDRO O=C(c1cc(N2CCC(CCC[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000443880995 986082625 /nfs/dbraw/zinc/08/26/25/986082625.db2.gz RGMLDTCNMGFHAD-UHFFFAOYSA-N 1 0 414.550 3.923 20 5 HHBDRO COc1ccc([C@H](C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 ZINC000468390369 986090816 /nfs/dbraw/zinc/09/08/16/986090816.db2.gz VEBXJZOPCFGHNI-MBSDFSHPSA-N 1 0 413.518 3.588 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000443952357 986160071 /nfs/dbraw/zinc/16/00/71/986160071.db2.gz WOJBRVQKOWPWAM-CALCHBBNSA-N 1 0 418.538 3.955 20 5 HHBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000468486544 986184993 /nfs/dbraw/zinc/18/49/93/986184993.db2.gz HOHWCBPTKKEQGD-GOSISDBHSA-N 1 0 413.468 3.810 20 5 HHBDRO O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000444013297 986207257 /nfs/dbraw/zinc/20/72/57/986207257.db2.gz XGOSPXBZENVEDO-MRXNPFEDSA-N 1 0 411.452 3.660 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H](C)C1 ZINC000444020787 986214181 /nfs/dbraw/zinc/21/41/81/986214181.db2.gz LSCGFBFYUVFWRQ-LAUBAEHRSA-N 1 0 421.541 3.548 20 5 HHBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444027366 986222013 /nfs/dbraw/zinc/22/20/13/986222013.db2.gz CGRPBOSRLNWITP-INIZCTEOSA-N 1 0 413.468 3.954 20 5 HHBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000444078416 986279335 /nfs/dbraw/zinc/27/93/35/986279335.db2.gz VSYSZBSAUMMJPG-UHFFFAOYSA-N 1 0 407.489 3.911 20 5 HHBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444109004 986307462 /nfs/dbraw/zinc/30/74/62/986307462.db2.gz LLTASDHTVYRABI-UHFFFAOYSA-N 1 0 407.489 3.957 20 5 HHBDRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000468598501 986309671 /nfs/dbraw/zinc/30/96/71/986309671.db2.gz RWJVMGSTFGKZQH-UHFFFAOYSA-N 1 0 401.444 3.820 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000468646611 986360408 /nfs/dbraw/zinc/36/04/08/986360408.db2.gz AOTOKFOHFGBOLO-LGMDPLHJSA-N 1 0 417.531 3.818 20 5 HHBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCc1cccc(Br)c1 ZINC000463416562 986387556 /nfs/dbraw/zinc/38/75/56/986387556.db2.gz BHKLOUFUBCMIEV-ZDUSSCGKSA-N 1 0 406.280 3.859 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444320043 986501248 /nfs/dbraw/zinc/50/12/48/986501248.db2.gz STGJHBAHRBUKIQ-MZNJEOGPSA-N 1 0 411.505 3.932 20 5 HHBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)cccc21 ZINC000469049140 986759283 /nfs/dbraw/zinc/75/92/83/986759283.db2.gz NDLFRPGCZNCEGX-CQSZACIVSA-N 1 0 407.373 3.834 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000469073594 986786073 /nfs/dbraw/zinc/78/60/73/986786073.db2.gz SGIOFJLRJMRDEQ-DZXKJOIRSA-N 1 0 421.291 3.790 20 5 HHBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cccc21 ZINC000469132065 986851736 /nfs/dbraw/zinc/85/17/36/986851736.db2.gz STGQJUZFMSNKDV-HNNXBMFYSA-N 1 0 407.373 3.834 20 5 HHBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000444767941 986927825 /nfs/dbraw/zinc/92/78/25/986927825.db2.gz SAFUHLKDBXWANQ-WDEREUQCSA-N 1 0 401.282 3.509 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])CC(C)C ZINC000469254604 986973453 /nfs/dbraw/zinc/97/34/53/986973453.db2.gz RWJCAZWSJDTAMT-CQSZACIVSA-N 1 0 400.317 3.844 20 5 HHBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444844978 987003463 /nfs/dbraw/zinc/00/34/63/987003463.db2.gz DRFXDJJUJSDTFS-UHFFFAOYSA-N 1 0 411.505 3.860 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000444895569 987044926 /nfs/dbraw/zinc/04/49/26/987044926.db2.gz CFFZPRVNKVRKKQ-UHFFFAOYSA-N 1 0 412.490 3.979 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000444900274 987049372 /nfs/dbraw/zinc/04/93/72/987049372.db2.gz RKZBZNNLZNJYMA-JIPZTSHUSA-N 1 0 412.490 3.882 20 5 HHBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000469555605 987226924 /nfs/dbraw/zinc/22/69/24/987226924.db2.gz BOXOWIPJPFVBKJ-SFHVURJKSA-N 1 0 405.520 3.567 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000469670593 987327750 /nfs/dbraw/zinc/32/77/50/987327750.db2.gz NZEHCXGXEMKLTP-UHFFFAOYSA-N 1 0 424.545 3.554 20 5 HHBDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445709584 987775395 /nfs/dbraw/zinc/77/53/95/987775395.db2.gz MQOIHSAERBSEKH-UHFFFAOYSA-N 1 0 414.531 3.636 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000463920103 988029737 /nfs/dbraw/zinc/02/97/37/988029737.db2.gz LDFXHBRIVNBCFN-KSSFIOAISA-N 1 0 403.454 3.926 20 5 HHBDRO C[C@H](CO)[N@@H+]1CCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000470139896 988045964 /nfs/dbraw/zinc/04/59/64/988045964.db2.gz BSIACHPOGOVRMV-MRXNPFEDSA-N 1 0 419.909 3.929 20 5 HHBDRO COc1ccc([C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000470145580 988053004 /nfs/dbraw/zinc/05/30/04/988053004.db2.gz WRADIQLWFQVPLG-IBGZPJMESA-N 1 0 402.426 3.701 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000470173839 988089578 /nfs/dbraw/zinc/08/95/78/988089578.db2.gz GICXEXOAKBUGAA-JXAWBTAJSA-N 1 0 403.523 3.641 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000470185023 988100951 /nfs/dbraw/zinc/10/09/51/988100951.db2.gz VWAILYCBSXEPMY-AQTBWJFISA-N 1 0 411.477 3.914 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000470626767 988640644 /nfs/dbraw/zinc/64/06/44/988640644.db2.gz OCRUBTQWXXOMRD-GOSISDBHSA-N 1 0 402.539 3.823 20 5 HHBDRO CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470672582 988694782 /nfs/dbraw/zinc/69/47/82/988694782.db2.gz WISDSXSGAIBMOA-NRFANRHFSA-N 1 0 419.485 3.517 20 5 HHBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000470683888 988709514 /nfs/dbraw/zinc/70/95/14/988709514.db2.gz DMZVBLDGWHKRAP-UHFFFAOYSA-N 1 0 401.457 3.763 20 5 HHBDRO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000464587013 988766345 /nfs/dbraw/zinc/76/63/45/988766345.db2.gz LUSGWFMLKVPBHZ-MRXNPFEDSA-N 1 0 401.463 3.846 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000464607026 988789322 /nfs/dbraw/zinc/78/93/22/988789322.db2.gz XSQAWXJNUXXDLF-TZMCWYRMSA-N 1 0 403.483 3.541 20 5 HHBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000464673580 988872147 /nfs/dbraw/zinc/87/21/47/988872147.db2.gz VOYAXPNOVPFEKJ-QRVBRYPASA-N 1 0 416.566 3.881 20 5 HHBDRO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CCN(c2ccccn2)CC1 ZINC000464809647 989042633 /nfs/dbraw/zinc/04/26/33/989042633.db2.gz MYHSZGPHTHNCPN-UHFFFAOYSA-N 1 0 422.489 3.778 20 5 HHBDRO COc1cccc(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000471227599 989370936 /nfs/dbraw/zinc/37/09/36/989370936.db2.gz KFASVHIVODTVEY-UHFFFAOYSA-N 1 0 412.490 3.634 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000471275634 989426747 /nfs/dbraw/zinc/42/67/47/989426747.db2.gz FGVCVIJTHRHAJE-KRWDZBQOSA-N 1 0 422.510 3.970 20 5 HHBDRO CCc1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)cc1[N+](=O)[O-] ZINC000471421947 989599973 /nfs/dbraw/zinc/59/99/73/989599973.db2.gz LGCOHEPMVMPZKE-FQEVSTJZSA-N 1 0 424.501 3.576 20 5 HHBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000465278013 989635821 /nfs/dbraw/zinc/63/58/21/989635821.db2.gz RONXHDCIIPVABC-QZTJIDSGSA-N 1 0 402.539 3.539 20 5 HHBDRO COc1ccc(CSCC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000471554809 989755013 /nfs/dbraw/zinc/75/50/13/989755013.db2.gz JJHPYHVJHOHJOS-QVKFZJNVSA-N 1 0 417.531 3.644 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccsc1 ZINC000465520438 989873947 /nfs/dbraw/zinc/87/39/47/989873947.db2.gz HLFGEAXUTSIWMS-LJQANCHMSA-N 1 0 418.519 3.512 20 5 HHBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000465579046 989949644 /nfs/dbraw/zinc/94/96/44/989949644.db2.gz UNSXTAYNPHTXOX-UHFFFAOYSA-N 1 0 410.518 3.869 20 5 HHBDRO C[C@@H]1CCC[C@](CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)([NH+](C)C)C1 ZINC000465713575 990098815 /nfs/dbraw/zinc/09/88/15/990098815.db2.gz DAXKBUAZKAJOAW-VGSWGCGISA-N 1 0 418.538 3.658 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000465751972 990138396 /nfs/dbraw/zinc/13/83/96/990138396.db2.gz JIPXICHLYRCASG-QFBILLFUSA-N 1 0 402.520 3.581 20 5 HHBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000465763708 990148855 /nfs/dbraw/zinc/14/88/55/990148855.db2.gz SOCAGJURJDKREE-NRFANRHFSA-N 1 0 410.518 3.691 20 5 HHBDRO CCOc1cc(NC(=O)NCCC2CC[NH+](CC)CC2)c([N+](=O)[O-])cc1OCC ZINC000466094911 991273442 /nfs/dbraw/zinc/27/34/42/991273442.db2.gz NXTSDEOMBFNVMN-UHFFFAOYSA-N 1 0 408.499 3.636 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000466233654 991459720 /nfs/dbraw/zinc/45/97/20/991459720.db2.gz HSNQOVSTLBSIJB-QGZVFWFLSA-N 1 0 416.909 3.612 20 5 HHBDRO Cc1ccc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1NC(=O)CC[NH+](C)C ZINC000466261843 991507691 /nfs/dbraw/zinc/50/76/91/991507691.db2.gz UNLUOUSOZVOJPC-UHFFFAOYSA-N 1 0 412.490 3.971 20 5 HHBDRO Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1NC(=O)CC[NH+](C)C ZINC000466280283 991526566 /nfs/dbraw/zinc/52/65/66/991526566.db2.gz WTZYPMLBIKGENQ-UHFFFAOYSA-N 1 0 416.503 3.524 20 5 HHBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466474581 991766016 /nfs/dbraw/zinc/76/60/16/991766016.db2.gz PNCOGUUQWSCRTE-UHFFFAOYSA-N 1 0 417.897 3.630 20 5 HHBDRO COC[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000467123026 992437465 /nfs/dbraw/zinc/43/74/65/992437465.db2.gz UNHYWGZNSDGDBB-LSDHHAIUSA-N 1 0 418.519 3.794 20 5 HHBDRO COc1ccc(C2CC[NH+](CCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 ZINC000467178444 992500025 /nfs/dbraw/zinc/50/00/25/992500025.db2.gz AEJBFEXITXIPHW-UHFFFAOYSA-N 1 0 413.474 3.820 20 5 HHBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467213271 992537485 /nfs/dbraw/zinc/53/74/85/992537485.db2.gz CJZPRAVOPJTUOJ-KRWDZBQOSA-N 1 0 416.909 3.912 20 5 HHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)n1 ZINC000467402680 992710699 /nfs/dbraw/zinc/71/06/99/992710699.db2.gz FKAHBQSWAJWQPH-MJGOQNOKSA-N 1 0 419.913 3.555 20 5 HHBDRO Cc1c([C@H](C)[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000467413155 992716777 /nfs/dbraw/zinc/71/67/77/992716777.db2.gz VUGZPXLOMKTGJT-AWEZNQCLSA-N 1 0 411.911 3.576 20 5 HHBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000467539417 992818983 /nfs/dbraw/zinc/81/89/83/992818983.db2.gz HHWFRUNWAZHKJJ-OAQYLSRUSA-N 1 0 402.447 3.647 20 5 HHBDRO CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472460213 993462337 /nfs/dbraw/zinc/46/23/37/993462337.db2.gz SOCXZXUIIFCEBV-FQEVSTJZSA-N 1 0 407.474 3.741 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000472510993 993506113 /nfs/dbraw/zinc/50/61/13/993506113.db2.gz AKXWLCDMZZSDND-QZTJIDSGSA-N 1 0 411.502 3.637 20 5 HHBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000480732863 993598666 /nfs/dbraw/zinc/59/86/66/993598666.db2.gz SMVSXUPZRYJPOH-IEBWSBKVSA-N 1 0 417.531 3.543 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480807457 993678444 /nfs/dbraw/zinc/67/84/44/993678444.db2.gz QGSTZIYWNOXJHS-IYBDPMFKSA-N 1 0 423.579 3.820 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C ZINC000480989362 993831060 /nfs/dbraw/zinc/83/10/60/993831060.db2.gz YGYRARMIBPAYMM-YJBOKZPZSA-N 1 0 423.560 3.635 20 5 HHBDRO Cc1ccc(C)c(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000481043210 993887027 /nfs/dbraw/zinc/88/70/27/993887027.db2.gz DXZYEXNAYQOYEU-UHFFFAOYSA-N 1 0 403.504 3.503 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481170285 994001799 /nfs/dbraw/zinc/00/17/99/994001799.db2.gz OWXBNNTZJLEDFF-HNAYVOBHSA-N 1 0 416.909 3.687 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000481186792 994018053 /nfs/dbraw/zinc/01/80/53/994018053.db2.gz YFVPWCRTIOLKTB-XKGZKEIXSA-N 1 0 410.518 3.730 20 5 HHBDRO CC(C)c1ccc(C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000473181397 994047414 /nfs/dbraw/zinc/04/74/14/994047414.db2.gz KBDWFWGBFHVNOZ-UHFFFAOYSA-N 1 0 410.518 3.892 20 5 HHBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473499967 994346297 /nfs/dbraw/zinc/34/62/97/994346297.db2.gz VTVSYSKKWRIDHL-XMMPIXPASA-N 1 0 423.513 3.878 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473502280 994349439 /nfs/dbraw/zinc/34/94/39/994349439.db2.gz BBFRWBORJPKOJT-HSZRJFAPSA-N 1 0 409.486 3.732 20 5 HHBDRO CCOc1ccc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1[N+](=O)[O-] ZINC000473513032 994365597 /nfs/dbraw/zinc/36/55/97/994365597.db2.gz MFYPSJDBTWQSTG-UHFFFAOYSA-N 1 0 415.412 3.529 20 5 HHBDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000481548246 994380168 /nfs/dbraw/zinc/38/01/68/994380168.db2.gz UPJVVDHTYHHEFT-HXUWFJFHSA-N 1 0 405.520 3.865 20 5 HHBDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000473528767 994385625 /nfs/dbraw/zinc/38/56/25/994385625.db2.gz VAPDHFJZSCTMCR-UHFFFAOYSA-N 1 0 405.804 3.783 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000481571091 994407281 /nfs/dbraw/zinc/40/72/81/994407281.db2.gz LKPHQZJGFYDHJD-MRXNPFEDSA-N 1 0 405.520 3.783 20 5 HHBDRO O=C(NC[C@@H]1CCCO1)c1cccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000481580316 994419647 /nfs/dbraw/zinc/41/96/47/994419647.db2.gz XLXGLHYHIWDONK-FCHUYYIVSA-N 1 0 423.513 3.615 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481841207 994695318 /nfs/dbraw/zinc/69/53/18/994695318.db2.gz AYUGUJTYLWPGQQ-WIYYLYMNSA-N 1 0 409.486 3.730 20 5 HHBDRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000481850402 994707088 /nfs/dbraw/zinc/70/70/88/994707088.db2.gz XAVZEAWLZAHODP-INIZCTEOSA-N 1 0 420.307 3.909 20 5 HHBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481859894 994718258 /nfs/dbraw/zinc/71/82/58/994718258.db2.gz BATWVGYFBOUJTB-UYAOXDASSA-N 1 0 415.515 3.517 20 5 HHBDRO CC[NH+]1CCN(c2cccc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c2)CC1 ZINC000473833166 994765127 /nfs/dbraw/zinc/76/51/27/994765127.db2.gz WVIGRZROPRBUIN-UHFFFAOYSA-N 1 0 423.517 3.933 20 5 HHBDRO CC[NH+]1CCN(c2cccc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2)CC1 ZINC000473834777 994767512 /nfs/dbraw/zinc/76/75/12/994767512.db2.gz AYXUUHZDNLTLQQ-UHFFFAOYSA-N 1 0 423.517 3.933 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000481991916 994892791 /nfs/dbraw/zinc/89/27/91/994892791.db2.gz MPKYTGKWFUKZFT-IYBDPMFKSA-N 1 0 409.552 3.572 20 5 HHBDRO COc1cccc([C@@H]2[C@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000482099761 995045033 /nfs/dbraw/zinc/04/50/33/995045033.db2.gz HMINOACFTRHYCJ-WOJBJXKFSA-N 1 0 415.877 3.965 20 5 HHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cc1 ZINC000474344504 995324442 /nfs/dbraw/zinc/32/44/42/995324442.db2.gz ARQZEWWEANAZEN-UHFFFAOYSA-N 1 0 420.307 3.526 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]C2(c3ccc(OC)cc3)CCCC2)cc1[N+](=O)[O-] ZINC000474381562 995359094 /nfs/dbraw/zinc/35/90/94/995359094.db2.gz XPXZJUDRCNLYPT-UHFFFAOYSA-N 1 0 414.458 3.714 20 5 HHBDRO CC(C)CCSc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000474472954 995433805 /nfs/dbraw/zinc/43/38/05/995433805.db2.gz PDTHDGVHGDNQED-UHFFFAOYSA-N 1 0 421.563 3.670 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1SC ZINC000482557963 995565204 /nfs/dbraw/zinc/56/52/04/995565204.db2.gz YURGRPNGSXMVCE-AWEZNQCLSA-N 1 0 415.515 3.502 20 5 HHBDRO CC[NH+]1CCN(c2cccc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000474825812 995731456 /nfs/dbraw/zinc/73/14/56/995731456.db2.gz OZZPLHSUOATFNR-UHFFFAOYSA-N 1 0 411.506 3.568 20 5 HHBDRO Cc1nc2ccccc2n1C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000482865024 995801720 /nfs/dbraw/zinc/80/17/20/995801720.db2.gz JFQNDFLUAYKEMV-UHFFFAOYSA-N 1 0 407.474 3.919 20 5 HHBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000475116091 995932128 /nfs/dbraw/zinc/93/21/28/995932128.db2.gz DTRPPZWAAGBTDO-QFIPXVFZSA-N 1 0 400.475 3.919 20 5 HHBDRO CC(C)[C@H](CCO)[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000475129357 995941231 /nfs/dbraw/zinc/94/12/31/995941231.db2.gz JRZBCDFAPUEFLO-PKOBYXMFSA-N 1 0 405.882 3.925 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000483113550 995984069 /nfs/dbraw/zinc/98/40/69/995984069.db2.gz BBBNKXBMAMDZEQ-MRXNPFEDSA-N 1 0 421.563 3.668 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000483213814 996041342 /nfs/dbraw/zinc/04/13/42/996041342.db2.gz ODPUWOSKIVPHCJ-BQFCYCMXSA-N 1 0 421.563 3.811 20 5 HHBDRO CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475314780 996064849 /nfs/dbraw/zinc/06/48/49/996064849.db2.gz IFNXRUIWEXSBNB-FQEVSTJZSA-N 1 0 408.502 3.542 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000475354433 996086210 /nfs/dbraw/zinc/08/62/10/996086210.db2.gz RYDAULMMFQFMNM-WMZOPIPTSA-N 1 0 402.422 3.712 20 5 HHBDRO Cc1c(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000483365464 996129082 /nfs/dbraw/zinc/12/90/82/996129082.db2.gz OBUGCTPRSJVISH-FZMZJTMJSA-N 1 0 411.300 3.756 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000483398136 996150853 /nfs/dbraw/zinc/15/08/53/996150853.db2.gz TXBBITXINSBXHD-SJLPKXTDSA-N 1 0 409.577 3.749 20 5 HHBDRO Cc1ccc(C[N@H+]2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)cc1[N+](=O)[O-] ZINC000475510154 996190441 /nfs/dbraw/zinc/19/04/41/996190441.db2.gz GCVIXLPIJAIGRY-UHFFFAOYSA-N 1 0 405.454 3.722 20 5 HHBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000475532876 996205864 /nfs/dbraw/zinc/20/58/64/996205864.db2.gz SDLKUEFWDMNWAX-UHFFFAOYSA-N 1 0 411.462 3.547 20 5 HHBDRO COC(=O)COc1ccc(C[N@H+](Cc2ccc(Cl)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000475548543 996214008 /nfs/dbraw/zinc/21/40/08/996214008.db2.gz BWTIIESRAVCHBS-UHFFFAOYSA-N 1 0 404.850 3.965 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000475713185 996316623 /nfs/dbraw/zinc/31/66/23/996316623.db2.gz IHAMFTYDUYTMFJ-LJQANCHMSA-N 1 0 402.438 3.620 20 5 HHBDRO COC(=O)COc1ccc(C[NH+]2CCC(c3ccc(OC)cc3)CC2)cc1[N+](=O)[O-] ZINC000475717194 996320168 /nfs/dbraw/zinc/32/01/68/996320168.db2.gz JRPWQHFTYOSZSZ-UHFFFAOYSA-N 1 0 414.458 3.535 20 5 HHBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000483828604 996413348 /nfs/dbraw/zinc/41/33/48/996413348.db2.gz HXZQRNWMLWGPKB-HNNXBMFYSA-N 1 0 405.401 3.591 20 5 HHBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000484058425 996546424 /nfs/dbraw/zinc/54/64/24/996546424.db2.gz ANIJPLGZUDBLEO-GOSISDBHSA-N 1 0 424.501 3.523 20 5 HHBDRO CC(C)[NH+]1CCC(N(C)C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000476142750 996630966 /nfs/dbraw/zinc/63/09/66/996630966.db2.gz IHRJAFVSAIYKQX-UHFFFAOYSA-N 1 0 416.444 3.747 20 5 HHBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000476199660 996672233 /nfs/dbraw/zinc/67/22/33/996672233.db2.gz UXUVBMSTCDWETG-ZDUSSCGKSA-N 1 0 403.401 3.530 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000484626103 996959425 /nfs/dbraw/zinc/95/94/25/996959425.db2.gz XZVRVXXPIXKEIV-HUUCEWRRSA-N 1 0 410.421 3.717 20 5 HHBDRO Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000484651485 996987425 /nfs/dbraw/zinc/98/74/25/996987425.db2.gz MEFKZFHWMKSLDK-RTWAWAEBSA-N 1 0 418.515 3.657 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2Oc2ccccc2C)c([N+](=O)[O-])c1 ZINC000484653804 996990749 /nfs/dbraw/zinc/99/07/49/996990749.db2.gz PFKRDXDUDNDGPF-GHTZIAJQSA-N 1 0 413.474 3.830 20 5 HHBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000484678147 997017314 /nfs/dbraw/zinc/01/73/14/997017314.db2.gz KFVLJLHWWSFRGK-UHFFFAOYSA-N 1 0 400.479 3.816 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1SC ZINC000484848820 997212786 /nfs/dbraw/zinc/21/27/86/997212786.db2.gz PTITXWKDZUICOJ-INIZCTEOSA-N 1 0 415.515 3.720 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000484944866 997322451 /nfs/dbraw/zinc/32/24/51/997322451.db2.gz AYSGIYNUKQNKSY-MOPGFXCFSA-N 1 0 409.486 3.588 20 5 HHBDRO CC(C)c1n[nH]c(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1[N+](=O)[O-] ZINC000477062334 997707052 /nfs/dbraw/zinc/70/70/52/997707052.db2.gz XWFORLNHJAVVRM-UHFFFAOYSA-N 1 0 411.506 3.570 20 5 HHBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477080980 997733768 /nfs/dbraw/zinc/73/37/68/997733768.db2.gz ACVGBPLMAMJZIM-UHFFFAOYSA-N 1 0 413.453 3.607 20 5 HHBDRO O=C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000485333657 997749501 /nfs/dbraw/zinc/74/95/01/997749501.db2.gz APTDFXGTURMWFB-PZJWPPBQSA-N 1 0 408.502 3.520 20 5 HHBDRO O=[N+]([O-])c1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)nc1-c1ccc(F)cc1 ZINC000485397314 997826274 /nfs/dbraw/zinc/82/62/74/997826274.db2.gz UPCJJKNXBWIJLJ-UHFFFAOYSA-N 1 0 414.481 3.877 20 5 HHBDRO COc1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485403357 997834112 /nfs/dbraw/zinc/83/41/12/997834112.db2.gz IJEJYTANJYZTQS-UHFFFAOYSA-N 1 0 409.421 3.526 20 5 HHBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)nc1-c1ccc(F)cc1 ZINC000485408084 997840731 /nfs/dbraw/zinc/84/07/31/997840731.db2.gz NXKCZNCZEZWTHV-HXUWFJFHSA-N 1 0 422.460 3.975 20 5 HHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)nc1-c1ccc(F)cc1 ZINC000485419320 997854271 /nfs/dbraw/zinc/85/42/71/997854271.db2.gz XYEJWAXDTJWHSJ-ICSRJNTNSA-N 1 0 414.481 3.976 20 5 HHBDRO CC1(C)COCCN1CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000477235295 997908895 /nfs/dbraw/zinc/90/88/95/997908895.db2.gz QHCIVBMYKDDEFW-UHFFFAOYSA-N 1 0 403.454 3.727 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000485602376 998049913 /nfs/dbraw/zinc/04/99/13/998049913.db2.gz ULDYWRMWFUAPJC-GJZGRUSLSA-N 1 0 411.449 3.923 20 5 HHBDRO O=C(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1C(F)(F)F ZINC000485670753 998126359 /nfs/dbraw/zinc/12/63/59/998126359.db2.gz NQUMOMRTXXVKKD-ZDUSSCGKSA-N 1 0 423.395 3.524 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])c1 ZINC000485841422 998306354 /nfs/dbraw/zinc/30/63/54/998306354.db2.gz AJCDXLQTSVCOKF-GFCCVEGCSA-N 1 0 400.460 3.893 20 5 HHBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000485946889 998390949 /nfs/dbraw/zinc/39/09/49/998390949.db2.gz MNZWCCJFFSTZME-AWEZNQCLSA-N 1 0 401.457 3.666 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000477923184 998659967 /nfs/dbraw/zinc/65/99/67/998659967.db2.gz UIOKKOBNPWHFCK-RDTXWAMCSA-N 1 0 401.438 3.584 20 5 HHBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000477952728 998678660 /nfs/dbraw/zinc/67/86/60/998678660.db2.gz ANPTWFOIQKMDQX-UHFFFAOYSA-N 1 0 411.452 3.706 20 5 HHBDRO COc1ccccc1[C@@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[NH+]1CCCC1 ZINC000486440196 998769347 /nfs/dbraw/zinc/76/93/47/998769347.db2.gz URJLNXGGAMKGMR-GOSISDBHSA-N 1 0 409.446 3.902 20 5 HHBDRO COC(=O)c1cnc(NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000478253419 998847477 /nfs/dbraw/zinc/84/74/77/998847477.db2.gz GJKGNPPEILITFB-HOTGVXAUSA-N 1 0 412.490 3.866 20 5 HHBDRO COC(=O)c1cnc(NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000478293949 998870339 /nfs/dbraw/zinc/87/03/39/998870339.db2.gz YIFQHDJHDBWNSV-MRXNPFEDSA-N 1 0 404.492 3.723 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)[NH+]1CCCC1 ZINC000478439353 998958997 /nfs/dbraw/zinc/95/89/97/998958997.db2.gz WTHZSJXBNOGSPZ-HXUWFJFHSA-N 1 0 412.490 3.548 20 5 HHBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000478532583 999013168 /nfs/dbraw/zinc/01/31/68/999013168.db2.gz ZEHZZPWKIMZTSP-UHFFFAOYSA-N 1 0 408.549 3.925 20 5 HHBDRO C[C@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000478565159 999027276 /nfs/dbraw/zinc/02/72/76/999027276.db2.gz UELAFOGVCLCAIB-ZIAGYGMSSA-N 1 0 416.444 3.652 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000478641975 999061333 /nfs/dbraw/zinc/06/13/33/999061333.db2.gz VOIVVJXBVDMRMH-GOSISDBHSA-N 1 0 402.539 3.900 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000478641976 999061400 /nfs/dbraw/zinc/06/14/00/999061400.db2.gz VOIVVJXBVDMRMH-SFHVURJKSA-N 1 0 402.539 3.900 20 5 HHBDRO C[C@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000478722416 999107491 /nfs/dbraw/zinc/10/74/91/999107491.db2.gz JZTIWEHITHELMN-ZIAGYGMSSA-N 1 0 416.444 3.795 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000487652450 999242614 /nfs/dbraw/zinc/24/26/14/999242614.db2.gz CBDWSUOOPCLXLG-UHFFFAOYSA-N 1 0 409.552 3.526 20 5 HHBDRO Cc1ccc([C@H](C)NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000487980989 999335308 /nfs/dbraw/zinc/33/53/08/999335308.db2.gz MKWWGYVWZKDVRN-IBGZPJMESA-N 1 0 410.518 3.683 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000488011133 999347474 /nfs/dbraw/zinc/34/74/74/999347474.db2.gz XSWVJGCQTFSUJC-MJGOQNOKSA-N 1 0 402.882 3.535 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000488520461 999516206 /nfs/dbraw/zinc/51/62/06/999516206.db2.gz VSPXOVSLDIYQCI-GHTZIAJQSA-N 1 0 422.529 3.835 20 5 HHBDRO Cc1ccc([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[NH+]2CCCC2)cc1 ZINC000488731729 999591787 /nfs/dbraw/zinc/59/17/87/999591787.db2.gz VINJRYYLHCDKOB-GOSISDBHSA-N 1 0 423.922 3.672 20 5 HHBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000479888938 999637480 /nfs/dbraw/zinc/63/74/80/999637480.db2.gz UPISKPYJPTVYRU-IBGZPJMESA-N 1 0 411.502 3.896 20 5 HHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)Cn3c4ccccc4c4ccccc43)CC2)n1 ZINC000489006429 999669911 /nfs/dbraw/zinc/66/99/11/999669911.db2.gz GKKSPRPPJCAHOX-SFHVURJKSA-N 1 0 419.485 3.597 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000489103510 999700473 /nfs/dbraw/zinc/70/04/73/999700473.db2.gz PAZCXIBOPNLLEG-RDJZCZTQSA-N 1 0 417.531 3.549 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000489135676 999709305 /nfs/dbraw/zinc/70/93/05/999709305.db2.gz HSQWYTFKHDDPJJ-SFTDATJTSA-N 1 0 423.561 3.893 20 5 HHBDRO Cc1nc(CN(C)[C@@H]2CCCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)no1 ZINC000480212785 999746761 /nfs/dbraw/zinc/74/67/61/999746761.db2.gz ZHMUZTDSLVIBDK-MRXNPFEDSA-N 1 0 410.478 3.634 20 5 HHBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000480508106 999814752 /nfs/dbraw/zinc/81/47/52/999814752.db2.gz DRBKJTMKRLNEMV-QGZVFWFLSA-N 1 0 419.913 3.861 20 5 HHBDRO COC(=O)c1cc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000480552849 999824817 /nfs/dbraw/zinc/82/48/17/999824817.db2.gz JDTUXCGJFFXMNI-UHFFFAOYSA-N 1 0 415.412 3.907 20 5 HHBDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cn2)C[C@H](C)O1 ZINC000480608162 999839641 /nfs/dbraw/zinc/83/96/41/999839641.db2.gz GDVLYBPFIFVFCA-LLGFUMIMSA-N 1 0 410.518 3.714 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000489988941 999873672 /nfs/dbraw/zinc/87/36/72/999873672.db2.gz MPEFOYKHKMKUBX-HNNXBMFYSA-N 1 0 421.494 3.546 20 5 HHBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490227377 999915569 /nfs/dbraw/zinc/91/55/69/999915569.db2.gz OLZOSPUPTIORKL-GDBMZVCRSA-N 1 0 419.428 3.837 20 5 HHBDRO C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+](C2CCC2)C1 ZINC000490374124 999947113 /nfs/dbraw/zinc/94/71/13/999947113.db2.gz FFHBJNJRDHWPIO-CYBMUJFWSA-N 1 0 414.428 3.629 20 5 HHBDRO CCCOc1cc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])cc1OCCC ZINC000490790739 1000006486 /nfs/dbraw/zinc/00/64/86/1000006486.db2.gz FSXMTSOITRDYAT-MAUKXSAKSA-N 1 0 420.510 3.730 20 5 HHBDRO COc1cc(CNCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000492068448 1000108079 /nfs/dbraw/zinc/10/80/79/1000108079.db2.gz NOCCSYJTRFNWOA-CQSZACIVSA-N 1 0 415.481 3.847 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493622873 1000181714 /nfs/dbraw/zinc/18/17/14/1000181714.db2.gz LUJVUXYLYCWEFA-GUYCJALGSA-N 1 0 402.438 3.931 20 5 HHBDRO Cc1cc(C)c(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000493826920 1000196210 /nfs/dbraw/zinc/19/62/10/1000196210.db2.gz YFFPAOXNMDBDQM-UHFFFAOYSA-N 1 0 403.504 3.503 20 5 HHBDRO O=C(C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000493952441 1000234554 /nfs/dbraw/zinc/23/45/54/1000234554.db2.gz KVFLCJJRCFXBRU-MAUKXSAKSA-N 1 0 411.792 3.585 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000504905710 1000439446 /nfs/dbraw/zinc/43/94/46/1000439446.db2.gz MSHUGDBOIHPBAG-OAHLLOKOSA-N 1 0 409.533 3.627 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000504912568 1000444304 /nfs/dbraw/zinc/44/43/04/1000444304.db2.gz XTIKOHUAZZXVAT-INIZCTEOSA-N 1 0 403.504 3.953 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCn4ccnc4C3)o2)c(Br)c1 ZINC000494446107 1000495950 /nfs/dbraw/zinc/49/59/50/1000495950.db2.gz TXYJOMJGDPGHNK-LBPRGKRZSA-N 1 0 417.263 3.918 20 5 HHBDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000494472030 1000510238 /nfs/dbraw/zinc/51/02/38/1000510238.db2.gz GPGNHIISRMLYGQ-UHFFFAOYSA-N 1 0 417.531 3.891 20 5 HHBDRO COCC[N@H+](C)CC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000505042066 1000521887 /nfs/dbraw/zinc/52/18/87/1000521887.db2.gz PZSPLPFPNITMAJ-IBGZPJMESA-N 1 0 411.458 3.780 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000494499746 1000525917 /nfs/dbraw/zinc/52/59/17/1000525917.db2.gz AVUDBIZZOAPHKP-WILYLXEWSA-N 1 0 419.865 3.704 20 5 HHBDRO Cc1c(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000494521144 1000536297 /nfs/dbraw/zinc/53/62/97/1000536297.db2.gz SHCPSPCXEVTTPE-UHFFFAOYSA-N 1 0 420.473 3.708 20 5 HHBDRO O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000505118262 1000559265 /nfs/dbraw/zinc/55/92/65/1000559265.db2.gz FWTWFLIIFIHVQB-UHFFFAOYSA-N 1 0 423.376 3.925 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccsc1 ZINC000494699965 1000610564 /nfs/dbraw/zinc/61/05/64/1000610564.db2.gz UHAYUDTYJAOVDU-HNNXBMFYSA-N 1 0 416.425 3.777 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000505198618 1000612816 /nfs/dbraw/zinc/61/28/16/1000612816.db2.gz PJOFMJNDXZLYLR-UHFFFAOYSA-N 1 0 401.467 3.618 20 5 HHBDRO C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000494705243 1000613228 /nfs/dbraw/zinc/61/32/28/1000613228.db2.gz ACUNPOHATCZYQC-OLZOCXBDSA-N 1 0 402.417 3.533 20 5 HHBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000494731027 1000625544 /nfs/dbraw/zinc/62/55/44/1000625544.db2.gz XTVKLULYYIVOCL-AWEZNQCLSA-N 1 0 416.444 3.925 20 5 HHBDRO COc1cc(CN2CCC[N@H+](CCCc3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000505249908 1000645104 /nfs/dbraw/zinc/64/51/04/1000645104.db2.gz XALQEZXPLGDXNA-UHFFFAOYSA-N 1 0 413.518 3.753 20 5 HHBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505269072 1000659396 /nfs/dbraw/zinc/65/93/96/1000659396.db2.gz RQMOJFDTKPSCBF-UHFFFAOYSA-N 1 0 411.506 3.509 20 5 HHBDRO C[NH+]1CCC(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000505422776 1000762585 /nfs/dbraw/zinc/76/25/85/1000762585.db2.gz XMHBXYMHIQKFPB-UHFFFAOYSA-N 1 0 416.909 3.932 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000495132406 1000872771 /nfs/dbraw/zinc/87/27/71/1000872771.db2.gz YMUFRZDWFOAHBJ-UHFFFAOYSA-N 1 0 409.486 3.732 20 5 HHBDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000505553923 1000899199 /nfs/dbraw/zinc/89/91/99/1000899199.db2.gz SACQHWXPTIKHDL-HXUWFJFHSA-N 1 0 410.474 3.516 20 5 HHBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)N1CCOCC1 ZINC000495368230 1000986164 /nfs/dbraw/zinc/98/61/64/1000986164.db2.gz FQOADCAZKHMUNV-HRAATJIYSA-N 1 0 403.910 3.842 20 5 HHBDRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000505754285 1001007835 /nfs/dbraw/zinc/00/78/35/1001007835.db2.gz GNTIATWZQUCNEF-UHFFFAOYSA-N 1 0 410.474 3.591 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000505765716 1001012554 /nfs/dbraw/zinc/01/25/54/1001012554.db2.gz HEQVLMZYYIJGLD-MRXNPFEDSA-N 1 0 411.506 3.577 20 5 HHBDRO Cc1cccc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000505773894 1001015868 /nfs/dbraw/zinc/01/58/68/1001015868.db2.gz STRRYFWKOUXGRO-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000505783186 1001021578 /nfs/dbraw/zinc/02/15/78/1001021578.db2.gz QPGKIWSELYHPFI-UHFFFAOYSA-N 1 0 414.531 3.886 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000505807933 1001037187 /nfs/dbraw/zinc/03/71/87/1001037187.db2.gz UNVBIMANDBTHLC-UHFFFAOYSA-N 1 0 410.474 3.591 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000505848029 1001059373 /nfs/dbraw/zinc/05/93/73/1001059373.db2.gz KWHFLRKIUQGTQO-INIZCTEOSA-N 1 0 402.495 3.952 20 5 HHBDRO COC(=O)C1CC[NH+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000505859233 1001065073 /nfs/dbraw/zinc/06/50/73/1001065073.db2.gz RTIZVUCXDXGOKZ-UHFFFAOYSA-N 1 0 414.458 3.567 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)cc1SC ZINC000505862372 1001066904 /nfs/dbraw/zinc/06/69/04/1001066904.db2.gz KASVTCPOQWDEMH-UHFFFAOYSA-N 1 0 407.536 3.733 20 5 HHBDRO CCOc1cc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])cc1OC ZINC000505946228 1001119029 /nfs/dbraw/zinc/11/90/29/1001119029.db2.gz FUQMKVCVIHQTPW-IRXDYDNUSA-N 1 0 419.522 3.729 20 5 HHBDRO CCc1ccc([C@@H](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000506005317 1001156779 /nfs/dbraw/zinc/15/67/79/1001156779.db2.gz UHIFFCLHMUSHBP-OAQYLSRUSA-N 1 0 421.501 3.590 20 5 HHBDRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 ZINC000506179614 1001263326 /nfs/dbraw/zinc/26/33/26/1001263326.db2.gz PXQWDJUYXACWNN-UHFFFAOYSA-N 1 0 409.442 3.855 20 5 HHBDRO O=[N+]([O-])c1ccc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c(Br)c1 ZINC000497113072 1001271485 /nfs/dbraw/zinc/27/14/85/1001271485.db2.gz GQIKEXWPUMANNZ-UHFFFAOYSA-N 1 0 424.324 3.902 20 5 HHBDRO CC(=O)N1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000506244805 1001303217 /nfs/dbraw/zinc/30/32/17/1001303217.db2.gz FIEFBATUYXQWCN-UHFFFAOYSA-N 1 0 422.279 3.672 20 5 HHBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000497358475 1001308052 /nfs/dbraw/zinc/30/80/52/1001308052.db2.gz ROOFOALXDAGIIM-QGZVFWFLSA-N 1 0 419.428 3.933 20 5 HHBDRO COc1cc(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000506281859 1001326683 /nfs/dbraw/zinc/32/66/83/1001326683.db2.gz MVBYTIPXVVVAIP-UHFFFAOYSA-N 1 0 419.909 3.973 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000506452277 1001419481 /nfs/dbraw/zinc/41/94/81/1001419481.db2.gz QYHDITHDPAIXEB-PBHICJAKSA-N 1 0 421.881 3.870 20 5 HHBDRO CC(C)NC(=O)c1ccc(N2CCC[N@H+](CCCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000506786653 1001529391 /nfs/dbraw/zinc/52/93/91/1001529391.db2.gz QZTLFBMQPSEYNN-UHFFFAOYSA-N 1 0 424.545 3.878 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000497983596 1001590548 /nfs/dbraw/zinc/59/05/48/1001590548.db2.gz NZCRITFBQJAOEL-PKOBYXMFSA-N 1 0 417.531 3.749 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000498045211 1001620234 /nfs/dbraw/zinc/62/02/34/1001620234.db2.gz UJWDUSVWPZTCNA-PXNSSMCTSA-N 1 0 416.547 3.923 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000498241477 1001725607 /nfs/dbraw/zinc/72/56/07/1001725607.db2.gz DILMFTBGHCUUPH-UHFFFAOYSA-N 1 0 409.389 3.526 20 5 HHBDRO COc1cccc([C@H]2[C@H](NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000498292099 1001760880 /nfs/dbraw/zinc/76/08/80/1001760880.db2.gz UTDATRZWKUCFCU-IRLDBZIGSA-N 1 0 423.513 3.975 20 5 HHBDRO COc1cccc([C@H]2[C@@H](NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000498292101 1001761080 /nfs/dbraw/zinc/76/10/80/1001761080.db2.gz UTDATRZWKUCFCU-UNMCSNQZSA-N 1 0 423.513 3.975 20 5 HHBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000507149292 1001839513 /nfs/dbraw/zinc/83/95/13/1001839513.db2.gz JGJTXSZKJLEIJT-UHFFFAOYSA-N 1 0 410.518 3.564 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)CC(C)C ZINC000498451145 1001879781 /nfs/dbraw/zinc/87/97/81/1001879781.db2.gz HKVZIBCKMTXGTG-LJQANCHMSA-N 1 0 404.555 3.684 20 5 HHBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000498491390 1001917284 /nfs/dbraw/zinc/91/72/84/1001917284.db2.gz QZGCKSMOCDRQPF-IBGZPJMESA-N 1 0 402.539 3.757 20 5 HHBDRO Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1[N+](=O)[O-] ZINC000507235521 1001921181 /nfs/dbraw/zinc/92/11/81/1001921181.db2.gz MRCWMEVGPQHWPW-OAQYLSRUSA-N 1 0 423.513 3.562 20 5 HHBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(CC[NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000498639448 1002040764 /nfs/dbraw/zinc/04/07/64/1002040764.db2.gz SBJRXHNPBUBXMY-QZTJIDSGSA-N 1 0 416.566 3.881 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000507387625 1002041741 /nfs/dbraw/zinc/04/17/41/1002041741.db2.gz HGPBPFVWQAPPBW-RYQLBKOJSA-N 1 0 409.490 3.520 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000507844421 1002383687 /nfs/dbraw/zinc/38/36/87/1002383687.db2.gz JEWVHGFUYOELEI-INIZCTEOSA-N 1 0 411.506 3.625 20 5 HHBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000499110239 1002500371 /nfs/dbraw/zinc/50/03/71/1002500371.db2.gz JAMMHMAIHKEUOI-HNAYVOBHSA-N 1 0 400.479 3.575 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000499336135 1002739570 /nfs/dbraw/zinc/73/95/70/1002739570.db2.gz PNMRHBBEWGCMNL-MRXNPFEDSA-N 1 0 414.481 3.675 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000508417721 1002905096 /nfs/dbraw/zinc/90/50/96/1002905096.db2.gz NUEMUDAXLPJRQG-KRWDZBQOSA-N 1 0 411.506 3.721 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000499530293 1002917889 /nfs/dbraw/zinc/91/78/89/1002917889.db2.gz SHNIWZLTHXTCMV-OXJNMPFZSA-N 1 0 404.470 3.783 20 5 HHBDRO CC[N@H+](CCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1)CC(C)C ZINC000508529719 1003007751 /nfs/dbraw/zinc/00/77/51/1003007751.db2.gz ZDNCCRMNIMJPKG-UHFFFAOYSA-N 1 0 414.554 3.975 20 5 HHBDRO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499648665 1003011396 /nfs/dbraw/zinc/01/13/96/1003011396.db2.gz NMEGXENHORCIDD-UHFFFAOYSA-N 1 0 410.518 3.910 20 5 HHBDRO COc1cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508547105 1003022083 /nfs/dbraw/zinc/02/20/83/1003022083.db2.gz AGUDFXQZGPKJBO-HXUWFJFHSA-N 1 0 413.518 3.956 20 5 HHBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000500122945 1003485374 /nfs/dbraw/zinc/48/53/74/1003485374.db2.gz OTZCPJGGDHNAIA-UHFFFAOYSA-N 1 0 423.517 3.579 20 5 HHBDRO CSc1ccc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000500126683 1003487963 /nfs/dbraw/zinc/48/79/63/1003487963.db2.gz XWFLNMGKJLYWAB-UHFFFAOYSA-N 1 0 400.504 3.700 20 5 HHBDRO CCC[NH+]1CCC(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000500171213 1003523345 /nfs/dbraw/zinc/52/33/45/1003523345.db2.gz YQDQPCCONYPAFY-IRXDYDNUSA-N 1 0 402.539 3.681 20 5 HHBDRO C[NH+](C)CCCC1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000500219239 1003559896 /nfs/dbraw/zinc/55/98/96/1003559896.db2.gz BZULAISIVIQDTQ-UHFFFAOYSA-N 1 0 402.520 3.912 20 5 HHBDRO Cc1sc(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1[N+](=O)[O-] ZINC000500455450 1003727918 /nfs/dbraw/zinc/72/79/18/1003727918.db2.gz GWTMHRWKCGETTG-CQSZACIVSA-N 1 0 403.504 3.595 20 5 HHBDRO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000511822652 1003792592 /nfs/dbraw/zinc/79/25/92/1003792592.db2.gz JISWSXTZQYOLNB-AWEZNQCLSA-N 1 0 411.355 3.757 20 5 HHBDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000511830822 1003803471 /nfs/dbraw/zinc/80/34/71/1003803471.db2.gz SPCHPHVZNRGDOC-JZXOWHBKSA-N 1 0 409.442 3.530 20 5 HHBDRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000511841413 1003819021 /nfs/dbraw/zinc/81/90/21/1003819021.db2.gz HZMQVWNJFKYYOR-KRWDZBQOSA-N 1 0 407.392 3.926 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccccc1Cl ZINC000512062762 1003993105 /nfs/dbraw/zinc/99/31/05/1003993105.db2.gz QYSAIFRHXTYKFY-KRWDZBQOSA-N 1 0 408.861 3.782 20 5 HHBDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000512070780 1004000205 /nfs/dbraw/zinc/00/02/05/1004000205.db2.gz HJYGHHIOVLFCEY-QINHECLXSA-N 1 0 416.547 3.792 20 5 HHBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000512078110 1004005148 /nfs/dbraw/zinc/00/51/48/1004005148.db2.gz RUBZCIZYROIXSP-OKZBNKHCSA-N 1 0 402.539 3.539 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000512143010 1004053630 /nfs/dbraw/zinc/05/36/30/1004053630.db2.gz PHTBXWSGXHJKEA-OAHLLOKOSA-N 1 0 411.458 3.776 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000509788610 1004097408 /nfs/dbraw/zinc/09/74/08/1004097408.db2.gz KDTCQPHXOAKNDG-IEBWSBKVSA-N 1 0 417.531 3.749 20 5 HHBDRO CN(C(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000512202382 1004103700 /nfs/dbraw/zinc/10/37/00/1004103700.db2.gz JTKMTVVLYATPBN-KRWDZBQOSA-N 1 0 412.273 3.578 20 5 HHBDRO COc1cc(CN2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000512296350 1004199777 /nfs/dbraw/zinc/19/97/77/1004199777.db2.gz XWZVFIQFMWVFGS-HNNXBMFYSA-N 1 0 417.428 3.605 20 5 HHBDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000509976378 1004241977 /nfs/dbraw/zinc/24/19/77/1004241977.db2.gz ZCQYFZZLEXMZOC-OAHLLOKOSA-N 1 0 406.389 3.592 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000509992954 1004252669 /nfs/dbraw/zinc/25/26/69/1004252669.db2.gz CNHFJLQSLBXVDN-OAHLLOKOSA-N 1 0 410.312 3.756 20 5 HHBDRO C[C@H]1C[C@@H](CCNC(=O)CCNc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000510112938 1004332760 /nfs/dbraw/zinc/33/27/60/1004332760.db2.gz NAUACGUJSDBEBY-AZUAARDMSA-N 1 0 410.518 3.814 20 5 HHBDRO C[C@H]1C[C@@H](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[N@@H+]1Cc1ccccc1 ZINC000512543945 1004374000 /nfs/dbraw/zinc/37/40/00/1004374000.db2.gz DEFGSCPELWBROC-DOTOQJQBSA-N 1 0 407.474 3.502 20 5 HHBDRO CC[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(OC)c(OC)c1 ZINC000510185960 1004382955 /nfs/dbraw/zinc/38/29/55/1004382955.db2.gz QCFWAOANHFDJKK-INIZCTEOSA-N 1 0 415.446 3.651 20 5 HHBDRO C[C@H]1C[C@@H](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000510191300 1004386070 /nfs/dbraw/zinc/38/60/70/1004386070.db2.gz IDQMRGSSBWPLSK-AZUAARDMSA-N 1 0 411.502 3.781 20 5 HHBDRO C[C@@H]1C[C@@H](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000510191303 1004386432 /nfs/dbraw/zinc/38/64/32/1004386432.db2.gz IDQMRGSSBWPLSK-UYAOXDASSA-N 1 0 411.502 3.781 20 5 HHBDRO NC(=O)N1CCC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000512644405 1004455882 /nfs/dbraw/zinc/45/58/82/1004455882.db2.gz NITJGBNJWNMOIM-UHFFFAOYSA-N 1 0 404.854 3.627 20 5 HHBDRO C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512697349 1004501715 /nfs/dbraw/zinc/50/17/15/1004501715.db2.gz AQQQLCOFPQWIPB-IAGOWNOFSA-N 1 0 400.523 3.922 20 5 HHBDRO CC(C)Oc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000512807212 1004570824 /nfs/dbraw/zinc/57/08/24/1004570824.db2.gz FASFZULUHKIVPJ-OAQYLSRUSA-N 1 0 414.506 3.826 20 5 HHBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000510526089 1004654442 /nfs/dbraw/zinc/65/44/42/1004654442.db2.gz RCLAAYRTDOTSIX-ZHRRBRCNSA-N 1 0 421.501 3.725 20 5 HHBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510547538 1004681314 /nfs/dbraw/zinc/68/13/14/1004681314.db2.gz KNYSALQPMRKTRC-SCLBCKFNSA-N 1 0 407.417 3.926 20 5 HHBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000510556593 1004696378 /nfs/dbraw/zinc/69/63/78/1004696378.db2.gz YNVFUJVZUGYLCM-WAIKUNEKSA-N 1 0 422.485 3.638 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000501771995 1004710560 /nfs/dbraw/zinc/71/05/60/1004710560.db2.gz HVZQCUBNRDLLNJ-IAGOWNOFSA-N 1 0 407.474 3.740 20 5 HHBDRO Cn1c(C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000501793290 1004736510 /nfs/dbraw/zinc/73/65/10/1004736510.db2.gz VEWMZTKUJYSQQI-UHFFFAOYSA-N 1 0 413.305 3.834 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)cc1[N+](=O)[O-] ZINC000512973189 1004739141 /nfs/dbraw/zinc/73/91/41/1004739141.db2.gz ZWMLMMQQFGQKOQ-UHFFFAOYSA-N 1 0 417.531 3.810 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000501805128 1004747106 /nfs/dbraw/zinc/74/71/06/1004747106.db2.gz MSZFIYGIXICYRU-IAGOWNOFSA-N 1 0 407.474 3.740 20 5 HHBDRO C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510622340 1004760031 /nfs/dbraw/zinc/76/00/31/1004760031.db2.gz KFNKBAVRKQPWLE-ZBFHGGJFSA-N 1 0 408.930 3.743 20 5 HHBDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3c(F)cc([N+](=O)[O-])cc3F)CCN2C2CC2)c1 ZINC000510642117 1004773158 /nfs/dbraw/zinc/77/31/58/1004773158.db2.gz YTWYOXYHBMJEDK-LEWJYISDSA-N 1 0 403.429 3.949 20 5 HHBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC000510683744 1004797284 /nfs/dbraw/zinc/79/72/84/1004797284.db2.gz RKLCBFKIYYOVAE-HXUWFJFHSA-N 1 0 419.865 3.945 20 5 HHBDRO CN1CC[N@H+](CCCNc2ccc([N+](=O)[O-])c3cccnc23)[C@H](c2ccccc2)C1 ZINC000513103682 1004807931 /nfs/dbraw/zinc/80/79/31/1004807931.db2.gz XULLZEPPRPEDIP-QFIPXVFZSA-N 1 0 405.502 3.934 20 5 HHBDRO COC(=O)C[C@@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000513127001 1004821062 /nfs/dbraw/zinc/82/10/62/1004821062.db2.gz BEMZTTXMKGIFIW-GOSISDBHSA-N 1 0 407.264 3.925 20 5 HHBDRO Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000513131290 1004823749 /nfs/dbraw/zinc/82/37/49/1004823749.db2.gz FAECKHCJGDLYAY-MRXNPFEDSA-N 1 0 417.531 3.614 20 5 HHBDRO C[N@H+](CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccccc1 ZINC000510812931 1004868742 /nfs/dbraw/zinc/86/87/42/1004868742.db2.gz HGPAWZWZMLJJRI-UHFFFAOYSA-N 1 0 408.405 3.840 20 5 HHBDRO C[C@H]1[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000502158877 1004929642 /nfs/dbraw/zinc/92/96/42/1004929642.db2.gz QTYMWHIAJFHYBG-IFXJQAMLSA-N 1 0 402.882 3.710 20 5 HHBDRO CS[C@@H]1CN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000502161752 1004930750 /nfs/dbraw/zinc/93/07/50/1004930750.db2.gz AMAWUFHAPLXMSK-WOJBJXKFSA-N 1 0 414.531 3.637 20 5 HHBDRO COc1ccc(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513480260 1004984379 /nfs/dbraw/zinc/98/43/79/1004984379.db2.gz ZHYAUHMWZOZKMA-OAQYLSRUSA-N 1 0 411.502 3.851 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000511042080 1004993721 /nfs/dbraw/zinc/99/37/21/1004993721.db2.gz ATUGVEWHYRQYNY-XLIONFOSSA-N 1 0 411.502 3.878 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000511042081 1004993950 /nfs/dbraw/zinc/99/39/50/1004993950.db2.gz ATUGVEWHYRQYNY-YLJYHZDGSA-N 1 0 411.502 3.878 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511127609 1005033162 /nfs/dbraw/zinc/03/31/62/1005033162.db2.gz WITVHGQMRFVPTD-IIBYNOLFSA-N 1 0 406.429 3.896 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511144925 1005043732 /nfs/dbraw/zinc/04/37/32/1005043732.db2.gz UKYFBLSVFUENKG-UHFFFAOYSA-N 1 0 411.380 3.997 20 5 HHBDRO C[C@@H]1C[C@@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000513660708 1005070666 /nfs/dbraw/zinc/07/06/66/1005070666.db2.gz JYGGBBSTUKQVSO-ZNLUXHQJSA-N 1 0 405.502 3.670 20 5 HHBDRO C[C@@H]1C[C@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000513668473 1005074945 /nfs/dbraw/zinc/07/49/45/1005074945.db2.gz ZFASQQOMMZOZQW-AGHHOFFYSA-N 1 0 405.502 3.670 20 5 HHBDRO C[C@@H]1C[C@@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000513668476 1005075068 /nfs/dbraw/zinc/07/50/68/1005075068.db2.gz ZFASQQOMMZOZQW-ZNLUXHQJSA-N 1 0 405.502 3.670 20 5 HHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513736247 1005103143 /nfs/dbraw/zinc/10/31/43/1005103143.db2.gz YDDXQJHNUYTKKP-UHFFFAOYSA-N 1 0 407.417 3.968 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)cccc1[N+](=O)[O-] ZINC000502528041 1005103782 /nfs/dbraw/zinc/10/37/82/1005103782.db2.gz JYXLRAFTNIVKJW-NRFANRHFSA-N 1 0 417.893 3.877 20 5 HHBDRO Cn1ccnc1[C@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000513761129 1005113962 /nfs/dbraw/zinc/11/39/62/1005113962.db2.gz MHMQLGHDDABCSE-FCHUYYIVSA-N 1 0 405.502 3.844 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502562460 1005119819 /nfs/dbraw/zinc/11/98/19/1005119819.db2.gz GKFBOXWCYLQKLE-NRFANRHFSA-N 1 0 417.893 3.877 20 5 HHBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000502624236 1005146583 /nfs/dbraw/zinc/14/65/83/1005146583.db2.gz VYEKFZYRWIWNMG-UHFFFAOYSA-N 1 0 420.473 3.539 20 5 HHBDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513830409 1005149932 /nfs/dbraw/zinc/14/99/32/1005149932.db2.gz WMXXMIWDRVSKAL-CNDZOEFASA-N 1 0 420.513 3.734 20 5 HHBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000511466161 1005187836 /nfs/dbraw/zinc/18/78/36/1005187836.db2.gz ZLAHYMJNFBTEDC-FRIKZZABSA-N 1 0 422.529 3.974 20 5 HHBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000514208233 1005313449 /nfs/dbraw/zinc/31/34/49/1005313449.db2.gz KKLVQCBOOYQLPL-UHFFFAOYSA-N 1 0 407.417 3.709 20 5 HHBDRO CC(C)[NH+]1CCC(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000514215097 1005316996 /nfs/dbraw/zinc/31/69/96/1005316996.db2.gz REZHCVLURUUOJT-UHFFFAOYSA-N 1 0 400.445 3.608 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000511783734 1005326138 /nfs/dbraw/zinc/32/61/38/1005326138.db2.gz DEHYGXWSFKWJJK-KNKQGSTJSA-N 1 0 409.486 3.736 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000514313112 1005336083 /nfs/dbraw/zinc/33/60/83/1005336083.db2.gz FJWCNCJUGIHUDF-HNNXBMFYSA-N 1 0 402.447 3.681 20 5 HHBDRO CS(=O)(=O)[C@@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000503101217 1005347630 /nfs/dbraw/zinc/34/76/30/1005347630.db2.gz HMJDISNAKHZROF-MRXNPFEDSA-N 1 0 410.879 3.659 20 5 HHBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCOc2ccccc21 ZINC000503912081 1005510494 /nfs/dbraw/zinc/51/04/94/1005510494.db2.gz REPMPDSOMVJPKP-PWIZWCRZSA-N 1 0 409.486 3.536 20 5 HHBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCOc2ccccc21 ZINC000503912080 1005510540 /nfs/dbraw/zinc/51/05/40/1005510540.db2.gz REPMPDSOMVJPKP-NSISKUIASA-N 1 0 409.486 3.536 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H]1c1ccccc1 ZINC000534019285 1005990192 /nfs/dbraw/zinc/99/01/92/1005990192.db2.gz OTBUIJORZNSPBI-PXDATVDWSA-N 1 0 411.505 3.716 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](C[C@H]3CCCO3)[C@H]3CCSC3)o2)c1 ZINC000534102060 1006074785 /nfs/dbraw/zinc/07/47/85/1006074785.db2.gz QKRPKKOXYJNYBK-ZWKOTPCHSA-N 1 0 403.504 3.779 20 5 HHBDRO COc1cc(CC[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)c([N+](=O)[O-])cc1OC ZINC000514702195 1006087965 /nfs/dbraw/zinc/08/79/65/1006087965.db2.gz STKSXDUHSSPQME-HXUWFJFHSA-N 1 0 410.470 3.501 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000515021055 1006254693 /nfs/dbraw/zinc/25/46/93/1006254693.db2.gz VNOOFLVRBQHQCJ-ADLFWFRXSA-N 1 0 416.909 3.919 20 5 HHBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000534248167 1006254632 /nfs/dbraw/zinc/25/46/32/1006254632.db2.gz QAJNODKXMNGMES-UHFFFAOYSA-N 1 0 404.470 3.739 20 5 HHBDRO C[C@H]([NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000531584572 1006287087 /nfs/dbraw/zinc/28/70/87/1006287087.db2.gz ZDLFHLCHZHYODS-INIZCTEOSA-N 1 0 419.909 3.810 20 5 HHBDRO CN(c1ccccc1)c1ccc(CNC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000531759120 1006402607 /nfs/dbraw/zinc/40/26/07/1006402607.db2.gz GPASCISOVBWISD-ISKFKSNPSA-N 1 0 424.545 3.830 20 5 HHBDRO COc1ccc(C[NH2+][C@H](C)Cc2cc(C)n[nH]2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531759746 1006403471 /nfs/dbraw/zinc/40/34/71/1006403471.db2.gz IZTOCWOFBNCPES-OAHLLOKOSA-N 1 0 410.474 3.935 20 5 HHBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000531915849 1006517177 /nfs/dbraw/zinc/51/71/77/1006517177.db2.gz TUBQEOAHTFJBRC-IRXDYDNUSA-N 1 0 400.422 3.984 20 5 HHBDRO CC(C)C[NH+]1CCC(Nc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000515540859 1006524315 /nfs/dbraw/zinc/52/43/15/1006524315.db2.gz HHGBEABUSHWORG-UHFFFAOYSA-N 1 0 403.264 3.732 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000531983577 1006559567 /nfs/dbraw/zinc/55/95/67/1006559567.db2.gz VLESPSPMWLLQQS-ZIAGYGMSSA-N 1 0 423.872 3.545 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(CNC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)cs2)c1 ZINC000532015574 1006577048 /nfs/dbraw/zinc/57/70/48/1006577048.db2.gz DUYACFGFVRABEB-VQTJNVASSA-N 1 0 416.547 3.576 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000538425768 1006692374 /nfs/dbraw/zinc/69/23/74/1006692374.db2.gz AKMWEZMACVHGAY-RTBURBONSA-N 1 0 403.523 3.785 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000538428158 1006694452 /nfs/dbraw/zinc/69/44/52/1006694452.db2.gz IEHFEESXMCUVDR-AZUAARDMSA-N 1 0 411.502 3.841 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000532187465 1006706145 /nfs/dbraw/zinc/70/61/45/1006706145.db2.gz SMIIOIIJNMJQPS-YLJYHZDGSA-N 1 0 402.564 3.556 20 5 HHBDRO COc1ccc([C@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000515841540 1006712022 /nfs/dbraw/zinc/71/20/22/1006712022.db2.gz AMCJBRVKARMVTK-IERDGZPVSA-N 1 0 412.490 3.801 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C ZINC000532213893 1006726379 /nfs/dbraw/zinc/72/63/79/1006726379.db2.gz ONWOWDZYIZYMLV-MRXNPFEDSA-N 1 0 405.520 3.582 20 5 HHBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c2c(c1)COCO2 ZINC000532242586 1006743982 /nfs/dbraw/zinc/74/39/82/1006743982.db2.gz LMAFMOSPBRYVQQ-XXBNENTESA-N 1 0 423.513 3.948 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000532288207 1006772376 /nfs/dbraw/zinc/77/23/76/1006772376.db2.gz PQSXLDPLFGHOSC-IBGZPJMESA-N 1 0 402.882 3.619 20 5 HHBDRO NC(=O)[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1ccc(F)cc1 ZINC000538533891 1006795410 /nfs/dbraw/zinc/79/54/10/1006795410.db2.gz DUGQOJHRPBHYGT-MRXNPFEDSA-N 1 0 413.474 3.896 20 5 HHBDRO O=C(c1ccc([N+](=O)[O-])cn1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000532397472 1006843575 /nfs/dbraw/zinc/84/35/75/1006843575.db2.gz WAGAASSJTQMDLE-MRXNPFEDSA-N 1 0 422.407 3.516 20 5 HHBDRO C[N@@H+](Cc1ccccc1)CC1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000532544301 1006977216 /nfs/dbraw/zinc/97/72/16/1006977216.db2.gz FXELOCHMAUANIH-HSZRJFAPSA-N 1 0 422.529 3.544 20 5 HHBDRO C[N@@H+](Cc1ccccc1)CC1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000532544302 1006977388 /nfs/dbraw/zinc/97/73/88/1006977388.db2.gz FXELOCHMAUANIH-QHCPKHFHSA-N 1 0 422.529 3.544 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)cc1 ZINC000538708380 1006984935 /nfs/dbraw/zinc/98/49/35/1006984935.db2.gz JLWXWYVPINZUNN-OAHLLOKOSA-N 1 0 413.808 3.882 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)cc1 ZINC000538708374 1006985144 /nfs/dbraw/zinc/98/51/44/1006985144.db2.gz JLWXWYVPINZUNN-HNNXBMFYSA-N 1 0 413.808 3.882 20 5 HHBDRO COc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[NH+](C)C)cc1OC ZINC000516272098 1006986839 /nfs/dbraw/zinc/98/68/39/1006986839.db2.gz XYHGBLWHYWREPK-INIZCTEOSA-N 1 0 422.869 3.690 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000534957672 1007001668 /nfs/dbraw/zinc/00/16/68/1007001668.db2.gz NKSURZWXNAQZGI-UHFFFAOYSA-N 1 0 400.866 3.934 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000538733138 1007015138 /nfs/dbraw/zinc/01/51/38/1007015138.db2.gz UATYPKXUVIIAON-PBHICJAKSA-N 1 0 400.353 3.751 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000532581411 1007015565 /nfs/dbraw/zinc/01/55/65/1007015565.db2.gz MMLFEIZXLNQHLI-QGZVFWFLSA-N 1 0 413.449 3.966 20 5 HHBDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538750270 1007035120 /nfs/dbraw/zinc/03/51/20/1007035120.db2.gz NNQYUTQMTNEXFO-LJQANCHMSA-N 1 0 413.518 3.956 20 5 HHBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000538805342 1007084341 /nfs/dbraw/zinc/08/43/41/1007084341.db2.gz RMUXMPHPQKNMIQ-UHFFFAOYSA-N 1 0 405.458 3.671 20 5 HHBDRO Cn1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000516686086 1007231773 /nfs/dbraw/zinc/23/17/73/1007231773.db2.gz OWIDMIBELSZEIO-VJBWXMMDSA-N 1 0 418.497 4.000 20 5 HHBDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000532935374 1007307517 /nfs/dbraw/zinc/30/75/17/1007307517.db2.gz GLRXLQYZBTXEQK-KRWDZBQOSA-N 1 0 411.458 3.609 20 5 HHBDRO CC(C)n1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000535271301 1007321741 /nfs/dbraw/zinc/32/17/41/1007321741.db2.gz QEZYNJWJCUVFOE-GOEBONIOSA-N 1 0 411.466 3.758 20 5 HHBDRO C[C@@H]([NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000539055018 1007350156 /nfs/dbraw/zinc/35/01/56/1007350156.db2.gz OQESYVWKFZARIT-OAHLLOKOSA-N 1 0 421.494 3.628 20 5 HHBDRO C[C@H](NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000517047934 1007381755 /nfs/dbraw/zinc/38/17/55/1007381755.db2.gz GURLZZYYYHYYGB-FDDCHVKYSA-N 1 0 408.502 3.963 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(OC)c1 ZINC000535331568 1007383787 /nfs/dbraw/zinc/38/37/87/1007383787.db2.gz DNKZIVTUICOFKH-QFIPXVFZSA-N 1 0 424.501 3.827 20 5 HHBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000535342550 1007396520 /nfs/dbraw/zinc/39/65/20/1007396520.db2.gz YXIDFKUCGKTJMO-UHFFFAOYSA-N 1 0 412.515 3.709 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000533060948 1007423585 /nfs/dbraw/zinc/42/35/85/1007423585.db2.gz XNNNZCWCCMKDPF-UHFFFAOYSA-N 1 0 423.473 3.688 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c2c(c1)COCO2 ZINC000533063009 1007425574 /nfs/dbraw/zinc/42/55/74/1007425574.db2.gz QFVRUNYFBKOMRF-UHFFFAOYSA-N 1 0 404.850 3.910 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000517191144 1007495296 /nfs/dbraw/zinc/49/52/96/1007495296.db2.gz SSVZKIZSGVLHBD-ZNLUXHQJSA-N 1 0 405.502 3.843 20 5 HHBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1 ZINC000539244965 1007539546 /nfs/dbraw/zinc/53/95/46/1007539546.db2.gz QPYLSOUHAUHHFA-PXAZEXFGSA-N 1 0 404.264 3.813 20 5 HHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000533242626 1007562662 /nfs/dbraw/zinc/56/26/62/1007562662.db2.gz XFWPQNKETSJHER-QFIPXVFZSA-N 1 0 410.518 3.857 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1OC ZINC000539268959 1007564051 /nfs/dbraw/zinc/56/40/51/1007564051.db2.gz OBKBUYRKYPLPEB-UONOGXRCSA-N 1 0 417.462 3.689 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1OC ZINC000539268958 1007564298 /nfs/dbraw/zinc/56/42/98/1007564298.db2.gz OBKBUYRKYPLPEB-KGLIPLIRSA-N 1 0 417.462 3.689 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000533283295 1007595816 /nfs/dbraw/zinc/59/58/16/1007595816.db2.gz YEFNQYAADTXQDV-UHFFFAOYSA-N 1 0 419.522 3.992 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2cccc(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000539376121 1007681111 /nfs/dbraw/zinc/68/11/11/1007681111.db2.gz AWLDFKGLXAMHLA-MRXNPFEDSA-N 1 0 412.490 3.883 20 5 HHBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000535670644 1007689923 /nfs/dbraw/zinc/68/99/23/1007689923.db2.gz VCBFADLWMUWRTL-UHFFFAOYSA-N 1 0 406.486 3.857 20 5 HHBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)Cc1ccc(OC)cc1 ZINC000533418523 1007727947 /nfs/dbraw/zinc/72/79/47/1007727947.db2.gz HNEBZVWJDVKRFF-OAHLLOKOSA-N 1 0 401.463 3.504 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000533435454 1007749179 /nfs/dbraw/zinc/74/91/79/1007749179.db2.gz BVFZVAJVQIOAPN-UHFFFAOYSA-N 1 0 417.437 3.615 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCc3cc(Cl)c4c(c3)OCCCO4)C2)nc1 ZINC000539450037 1007761876 /nfs/dbraw/zinc/76/18/76/1007761876.db2.gz GCTYWHVHGMSWMB-HNNXBMFYSA-N 1 0 418.881 3.533 20 5 HHBDRO C[C@H]1CN(CC[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCO1 ZINC000517547805 1007763357 /nfs/dbraw/zinc/76/33/57/1007763357.db2.gz RUOZTCQELJZBCI-HNNXBMFYSA-N 1 0 405.882 3.851 20 5 HHBDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)c1ccccc1 ZINC000535791570 1007796661 /nfs/dbraw/zinc/79/66/61/1007796661.db2.gz RTQFXAIGPPZNPM-HXUWFJFHSA-N 1 0 413.518 3.959 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000517599480 1007801428 /nfs/dbraw/zinc/80/14/28/1007801428.db2.gz BQAWYMHEHWORKZ-QGZVFWFLSA-N 1 0 402.882 3.770 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539493167 1007804218 /nfs/dbraw/zinc/80/42/18/1007804218.db2.gz OVLIGEWJWCQALV-QFIPXVFZSA-N 1 0 411.458 3.744 20 5 HHBDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000533502108 1007813261 /nfs/dbraw/zinc/81/32/61/1007813261.db2.gz USUCDVFCINPXAO-SFHVURJKSA-N 1 0 412.490 3.816 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c1 ZINC000539527121 1007835123 /nfs/dbraw/zinc/83/51/23/1007835123.db2.gz HSFWTMNAUUGABV-UHFFFAOYSA-N 1 0 421.881 3.905 20 5 HHBDRO CCOc1cc(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000533604723 1007903751 /nfs/dbraw/zinc/90/37/51/1007903751.db2.gz ONRHVHNLPDEDKF-UHFFFAOYSA-N 1 0 415.490 3.643 20 5 HHBDRO COc1cc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000539621368 1007937897 /nfs/dbraw/zinc/93/78/97/1007937897.db2.gz OCOCBRHFBVGPSM-UHFFFAOYSA-N 1 0 409.389 3.827 20 5 HHBDRO CCOc1cc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1OCC ZINC000535946451 1007978793 /nfs/dbraw/zinc/97/87/93/1007978793.db2.gz NMMCNEIEZFVIHM-INIZCTEOSA-N 1 0 420.510 3.588 20 5 HHBDRO Cc1nc(N2CCOCC2)ccc1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000539694655 1008013969 /nfs/dbraw/zinc/01/39/69/1008013969.db2.gz FHSDDWHZQFLYRQ-UHFFFAOYSA-N 1 0 411.487 3.870 20 5 HHBDRO COc1ccc(OCC[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000518010092 1008100798 /nfs/dbraw/zinc/10/07/98/1008100798.db2.gz AYAGDYQVBNTUCC-PXNSSMCTSA-N 1 0 405.882 3.671 20 5 HHBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000518126455 1008172148 /nfs/dbraw/zinc/17/21/48/1008172148.db2.gz AEOYCADKQPHKAD-UHFFFAOYSA-N 1 0 404.470 3.739 20 5 HHBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000539908154 1008177853 /nfs/dbraw/zinc/17/78/53/1008177853.db2.gz XBBGDMUALDLPGY-UHFFFAOYSA-N 1 0 420.469 3.799 20 5 HHBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000533956285 1008231887 /nfs/dbraw/zinc/23/18/87/1008231887.db2.gz JVGRLOITJPHVKW-SFHVURJKSA-N 1 0 406.486 3.599 20 5 HHBDRO CCOc1cc(C[NH+]2CC(C3CCC3)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000518353249 1008273050 /nfs/dbraw/zinc/27/30/50/1008273050.db2.gz MAQTYTOZSYRTBP-UHFFFAOYSA-N 1 0 414.506 3.809 20 5 HHBDRO C[NH+](C)Cc1cccc(NCc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000518445354 1008309829 /nfs/dbraw/zinc/30/98/29/1008309829.db2.gz HZPPZMSZPLFRQT-UHFFFAOYSA-N 1 0 411.243 3.873 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000540157001 1008315087 /nfs/dbraw/zinc/31/50/87/1008315087.db2.gz XMBVPLCYCXNHLH-DZGCQCFKSA-N 1 0 409.280 3.756 20 5 HHBDRO CC[C@@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000540180349 1008325485 /nfs/dbraw/zinc/32/54/85/1008325485.db2.gz QZJZINGISXNFEE-JOCHJYFZSA-N 1 0 410.518 3.765 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000540183085 1008326275 /nfs/dbraw/zinc/32/62/75/1008326275.db2.gz POYUZIKVTWBTCD-CYBMUJFWSA-N 1 0 417.416 3.889 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000540186115 1008327710 /nfs/dbraw/zinc/32/77/10/1008327710.db2.gz LZALFUXJPVWIOZ-LJQANCHMSA-N 1 0 410.518 3.683 20 5 HHBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000540193108 1008330060 /nfs/dbraw/zinc/33/00/60/1008330060.db2.gz WWLBYIBZAAXBQP-INIZCTEOSA-N 1 0 403.504 3.620 20 5 HHBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000540343718 1008390457 /nfs/dbraw/zinc/39/04/57/1008390457.db2.gz GSMZAGUFPXQSPA-FQEVSTJZSA-N 1 0 419.865 3.945 20 5 HHBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1OC(F)F ZINC000540354881 1008396227 /nfs/dbraw/zinc/39/62/27/1008396227.db2.gz SLSDNBRVGARSPJ-MRXNPFEDSA-N 1 0 405.401 3.826 20 5 HHBDRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000540375581 1008405517 /nfs/dbraw/zinc/40/55/17/1008405517.db2.gz HOBPDABWFPICSP-BEFAXECRSA-N 1 0 413.474 3.626 20 5 HHBDRO COc1cc(C)c([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000540390432 1008413082 /nfs/dbraw/zinc/41/30/82/1008413082.db2.gz QXTBZDGLJWGRBO-OAHLLOKOSA-N 1 0 401.463 3.908 20 5 HHBDRO CC1(C)CN(CC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCO1 ZINC000518776035 1008417815 /nfs/dbraw/zinc/41/78/15/1008417815.db2.gz UJTXDTCGNSVSFM-UHFFFAOYSA-N 1 0 403.454 3.727 20 5 HHBDRO CC(C)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1Br ZINC000540423598 1008427139 /nfs/dbraw/zinc/42/71/39/1008427139.db2.gz CMSOLDQSQIOGOD-AWEZNQCLSA-N 1 0 409.280 3.622 20 5 HHBDRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000540469063 1008443400 /nfs/dbraw/zinc/44/34/00/1008443400.db2.gz DGMMGSJBXNXZNN-ZIAGYGMSSA-N 1 0 411.437 3.906 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2nccs2)c2ccccc2)cc1[N+](=O)[O-] ZINC000540475572 1008446418 /nfs/dbraw/zinc/44/64/18/1008446418.db2.gz PQMUMXSWSOHAEH-FOIQADDNSA-N 1 0 410.499 3.916 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000518871081 1008454384 /nfs/dbraw/zinc/45/43/84/1008454384.db2.gz UJVVXDXAWISVCE-ZHALLVOQSA-N 1 0 400.523 3.672 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)nc2)s1 ZINC000540512970 1008462736 /nfs/dbraw/zinc/46/27/36/1008462736.db2.gz RJPIAKYKQROXCP-UHFFFAOYSA-N 1 0 410.499 3.845 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000540544747 1008475494 /nfs/dbraw/zinc/47/54/94/1008475494.db2.gz KLQMFONNHQLMNF-FQEVSTJZSA-N 1 0 404.470 3.998 20 5 HHBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518987713 1008495727 /nfs/dbraw/zinc/49/57/27/1008495727.db2.gz ICYDAJKYCBWCHR-UHFFFAOYSA-N 1 0 408.458 3.573 20 5 HHBDRO CCc1cnc(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)s1 ZINC000519037139 1008507907 /nfs/dbraw/zinc/50/79/07/1008507907.db2.gz QYFCAVIYFAPRLL-UHFFFAOYSA-N 1 0 417.272 3.551 20 5 HHBDRO Cc1cc(C(=O)NCC(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000543006456 1008584678 /nfs/dbraw/zinc/58/46/78/1008584678.db2.gz HHDNIVMSOKOZBK-MRXNPFEDSA-N 1 0 424.501 3.504 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[NH+](C)C)c1 ZINC000549088037 1008652210 /nfs/dbraw/zinc/65/22/10/1008652210.db2.gz QRAURGPXVBFCMP-QGZVFWFLSA-N 1 0 411.380 3.655 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000543172594 1008748110 /nfs/dbraw/zinc/74/81/10/1008748110.db2.gz IYXGKYPQOGBBOZ-LIRRHRJNSA-N 1 0 418.519 3.547 20 5 HHBDRO CCc1ccc([C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000549229546 1008799995 /nfs/dbraw/zinc/79/99/95/1008799995.db2.gz XZMQVDUEQSBYAQ-MTNREXPMSA-N 1 0 414.502 3.997 20 5 HHBDRO C[N@@H+]1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000543312730 1008892011 /nfs/dbraw/zinc/89/20/11/1008892011.db2.gz KUAHZZHRAKELRG-HZPDHXFCSA-N 1 0 405.907 3.554 20 5 HHBDRO CCc1ccc([C@@H]([NH2+]CCC2CCS(=O)(=O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543423891 1009015508 /nfs/dbraw/zinc/01/55/08/1009015508.db2.gz GUWMRPYHLLDYDI-FQEVSTJZSA-N 1 0 406.504 3.644 20 5 HHBDRO C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000519844516 1009027421 /nfs/dbraw/zinc/02/74/21/1009027421.db2.gz XHDWINMHGXUSPT-UUOWRZLLSA-N 1 0 403.482 3.835 20 5 HHBDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3cc(OC)c(F)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000549471427 1009066621 /nfs/dbraw/zinc/06/66/21/1009066621.db2.gz JDOJNEYHTHOEPB-KNQAVFIVSA-N 1 0 415.465 3.819 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543560580 1009167217 /nfs/dbraw/zinc/16/72/17/1009167217.db2.gz IWSMONSGTWWLGM-XLIONFOSSA-N 1 0 401.438 3.833 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)c1 ZINC000549550054 1009168169 /nfs/dbraw/zinc/16/81/69/1009168169.db2.gz GCQBJNSWDPQDKE-IBGZPJMESA-N 1 0 410.430 3.617 20 5 HHBDRO Nc1c(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc(F)cc1[N+](=O)[O-] ZINC000520151458 1009302266 /nfs/dbraw/zinc/30/22/66/1009302266.db2.gz GKAPGOFLEYGSRB-UHFFFAOYSA-N 1 0 400.454 3.622 20 5 HHBDRO COc1cc(-c2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)ccc1OCC[NH+](C)C ZINC000546282323 1009304654 /nfs/dbraw/zinc/30/46/54/1009304654.db2.gz MLXHPKWZXHCXGD-JXMROGBWSA-N 1 0 410.430 3.764 20 5 HHBDRO COc1cc(C[NH2+]CCn2cnc3ccccc32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000520204147 1009339590 /nfs/dbraw/zinc/33/95/90/1009339590.db2.gz PABKRDVZGNPJGH-UHFFFAOYSA-N 1 0 424.379 3.684 20 5 HHBDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)[C@@H]2C ZINC000543806371 1009368943 /nfs/dbraw/zinc/36/89/43/1009368943.db2.gz BCDYOPUVSPSPPS-LSDHHAIUSA-N 1 0 411.458 3.909 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000543824302 1009385412 /nfs/dbraw/zinc/38/54/12/1009385412.db2.gz ZHJSXARBYWLGDJ-HNNXBMFYSA-N 1 0 413.808 3.882 20 5 HHBDRO COC(=O)c1cc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(C)c1[N+](=O)[O-] ZINC000520268414 1009386704 /nfs/dbraw/zinc/38/67/04/1009386704.db2.gz LWTIRNLHJWQFKI-HSZRJFAPSA-N 1 0 409.486 3.792 20 5 HHBDRO C/C(=C\c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000546419016 1009438695 /nfs/dbraw/zinc/43/86/95/1009438695.db2.gz BYMQHQHQRVQMOT-FOCLMDBBSA-N 1 0 405.458 3.957 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000543911883 1009499363 /nfs/dbraw/zinc/49/93/63/1009499363.db2.gz KREYOHJKUUSFFF-UHFFFAOYSA-N 1 0 411.568 3.734 20 5 HHBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000520639469 1009714654 /nfs/dbraw/zinc/71/46/54/1009714654.db2.gz XUXZHBJAUCKPJA-MRXNPFEDSA-N 1 0 411.506 3.719 20 5 HHBDRO COc1cc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000544117862 1009726226 /nfs/dbraw/zinc/72/62/26/1009726226.db2.gz TWUSLPXFZLYKBV-OAHLLOKOSA-N 1 0 422.503 3.515 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000550290108 1009836470 /nfs/dbraw/zinc/83/64/70/1009836470.db2.gz ZZIOIJCHYMTFQQ-UHFFFAOYSA-N 1 0 410.312 3.803 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000520813343 1009878235 /nfs/dbraw/zinc/87/82/35/1009878235.db2.gz AVWHVCMENDEGNT-UHFFFAOYSA-N 1 0 418.497 3.599 20 5 HHBDRO C[C@@H](CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000520859887 1009915046 /nfs/dbraw/zinc/91/50/46/1009915046.db2.gz JJPLKDRXNHPANG-ROUUACIJSA-N 1 0 402.539 3.681 20 5 HHBDRO CCc1ccc([C@H](NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544380884 1010006213 /nfs/dbraw/zinc/00/62/13/1010006213.db2.gz GIEGBTFSVKYIDB-QZNHQXDQSA-N 1 0 413.518 3.807 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000520987437 1010028439 /nfs/dbraw/zinc/02/84/39/1010028439.db2.gz UKSGDFVIIPRUJH-UHFFFAOYSA-N 1 0 409.458 3.556 20 5 HHBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000520989734 1010029534 /nfs/dbraw/zinc/02/95/34/1010029534.db2.gz HOPNZWHXOPNWFM-UHFFFAOYSA-N 1 0 421.501 3.765 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000550716350 1010124817 /nfs/dbraw/zinc/12/48/17/1010124817.db2.gz UTYVVFPGVZFIEN-FZKQIMNGSA-N 1 0 422.323 3.755 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000544534064 1010164411 /nfs/dbraw/zinc/16/44/11/1010164411.db2.gz ULMSKPBLKKBJSX-MGPUTAFESA-N 1 0 415.465 3.799 20 5 HHBDRO Cc1c(NC(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000521205896 1010229588 /nfs/dbraw/zinc/22/95/88/1010229588.db2.gz JVGQBSFZLRKPHY-HNNXBMFYSA-N 1 0 415.469 3.677 20 5 HHBDRO CCOc1cc(NC(=O)NCC2(C[NH+](C)C)CCCC2)c([N+](=O)[O-])cc1OCC ZINC000544785039 1010379042 /nfs/dbraw/zinc/37/90/42/1010379042.db2.gz JDLDDMDQHWAHRM-UHFFFAOYSA-N 1 0 408.499 3.636 20 5 HHBDRO CCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544851194 1010436281 /nfs/dbraw/zinc/43/62/81/1010436281.db2.gz QPLFHYXKIQUHBB-LJQANCHMSA-N 1 0 419.485 3.517 20 5 HHBDRO C[C@@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000521582776 1010480663 /nfs/dbraw/zinc/48/06/63/1010480663.db2.gz RNNSJYIRWJVICC-OAHLLOKOSA-N 1 0 417.893 3.913 20 5 HHBDRO CC1(C)C[N@@H+](C2(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CCCCC2)CCO1 ZINC000521758104 1010596144 /nfs/dbraw/zinc/59/61/44/1010596144.db2.gz ASLIESCHFOGPNA-UHFFFAOYSA-N 1 0 415.490 3.885 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000545178366 1010673447 /nfs/dbraw/zinc/67/34/47/1010673447.db2.gz MYLHSCBGHKBGIY-IRXDYDNUSA-N 1 0 411.502 3.708 20 5 HHBDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000521951227 1010731613 /nfs/dbraw/zinc/73/16/13/1010731613.db2.gz UDMITTUOSXFLST-UHFFFAOYSA-N 1 0 418.881 3.572 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000521957155 1010735788 /nfs/dbraw/zinc/73/57/88/1010735788.db2.gz UIUCPLWEXUCGTR-LSDHHAIUSA-N 1 0 405.882 3.652 20 5 HHBDRO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000545345035 1010740677 /nfs/dbraw/zinc/74/06/77/1010740677.db2.gz RJRUQCGVOUGSDG-FQEVSTJZSA-N 1 0 422.529 3.932 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000522478969 1011037353 /nfs/dbraw/zinc/03/73/53/1011037353.db2.gz WDSDFCJVPRVHTA-OXJNMPFZSA-N 1 0 404.555 3.927 20 5 HHBDRO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000522546610 1011073038 /nfs/dbraw/zinc/07/30/38/1011073038.db2.gz WHKTWIGLNKCXMS-MLGOLLRUSA-N 1 0 418.460 3.897 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000522703163 1011167364 /nfs/dbraw/zinc/16/73/64/1011167364.db2.gz ITOPEZKHXUUGDJ-IAGOWNOFSA-N 1 0 423.941 3.986 20 5 HHBDRO O=C1C[C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1Cc1ccccc1 ZINC000536163102 1011291511 /nfs/dbraw/zinc/29/15/11/1011291511.db2.gz MHHHRIOQMDHINY-QGZVFWFLSA-N 1 0 422.510 3.857 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000536205840 1011351056 /nfs/dbraw/zinc/35/10/56/1011351056.db2.gz YZUOQUQXEYUVQE-QGZVFWFLSA-N 1 0 419.865 3.739 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000536206781 1011352283 /nfs/dbraw/zinc/35/22/83/1011352283.db2.gz UMMGRWXEQIBXRW-VQIMIIECSA-N 1 0 402.520 3.581 20 5 HHBDRO Cc1n[nH]c(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000522926128 1011369663 /nfs/dbraw/zinc/36/96/63/1011369663.db2.gz OKCGEELWULZCTC-UHFFFAOYSA-N 1 0 419.485 3.819 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000536229097 1011377425 /nfs/dbraw/zinc/37/74/25/1011377425.db2.gz ZJMHGPGTQQGIJN-ROUUACIJSA-N 1 0 410.518 3.593 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@@H](O)C[C@@H]3c3ccc(F)c(F)c3)o2)c1 ZINC000536239995 1011393730 /nfs/dbraw/zinc/39/37/30/1011393730.db2.gz PPYXJQVXPUSCAF-QFBILLFUSA-N 1 0 415.396 3.878 20 5 HHBDRO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000540768248 1011424621 /nfs/dbraw/zinc/42/46/21/1011424621.db2.gz IZHHVMDDYLULEM-GOSISDBHSA-N 1 0 407.392 3.894 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000536263229 1011429775 /nfs/dbraw/zinc/42/97/75/1011429775.db2.gz KBVGZNQQLKSTFY-DOTOQJQBSA-N 1 0 404.264 3.533 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nnc5ccccn54)C3)co2)cc1 ZINC000536348693 1011554146 /nfs/dbraw/zinc/55/41/46/1011554146.db2.gz NJUOAVALRNOPSI-MRXNPFEDSA-N 1 0 404.430 3.672 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000540998525 1011633462 /nfs/dbraw/zinc/63/34/62/1011633462.db2.gz WQZVJXQHVKLNHY-RHSMWYFYSA-N 1 0 419.428 3.979 20 5 HHBDRO CNc1ccc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)cc1[N+](=O)[O-] ZINC000523343674 1011822661 /nfs/dbraw/zinc/82/26/61/1011822661.db2.gz XVNJVAYMXCPHSJ-UHFFFAOYSA-N 1 0 400.504 3.746 20 5 HHBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@]1(c2ccccc2)CCCCC1=O ZINC000551738054 1011898706 /nfs/dbraw/zinc/89/87/06/1011898706.db2.gz UKOVAOTZHLCVTA-QHCPKHFHSA-N 1 0 423.469 3.863 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000536732721 1011907078 /nfs/dbraw/zinc/90/70/78/1011907078.db2.gz KDSWLLNPAJNMMT-UHFFFAOYSA-N 1 0 411.506 3.698 20 5 HHBDRO CC[N@H+](CCC1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000536737700 1011918076 /nfs/dbraw/zinc/91/80/76/1011918076.db2.gz RBWLJSAOYBIDHZ-KRWDZBQOSA-N 1 0 402.539 3.756 20 5 HHBDRO COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000541329524 1012039678 /nfs/dbraw/zinc/03/96/78/1012039678.db2.gz BIVRUTPBRFBYSU-UPVQGACJSA-N 1 0 419.481 3.996 20 5 HHBDRO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000523522889 1012049358 /nfs/dbraw/zinc/04/93/58/1012049358.db2.gz HTWYCTRYCSXPIF-QWHCGFSZSA-N 1 0 405.476 3.819 20 5 HHBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000523528399 1012056776 /nfs/dbraw/zinc/05/67/76/1012056776.db2.gz ZHGJSIFPTWVEAM-ZDUSSCGKSA-N 1 0 418.291 3.534 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000536834737 1012064649 /nfs/dbraw/zinc/06/46/49/1012064649.db2.gz XZEBUDYDBXOMOL-INIZCTEOSA-N 1 0 405.520 3.519 20 5 HHBDRO Cc1c([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)nnn1-c1ccc(Cl)cc1 ZINC000536860136 1012093682 /nfs/dbraw/zinc/09/36/82/1012093682.db2.gz WRDLYSSXCQIQQU-ZDUSSCGKSA-N 1 0 401.854 3.867 20 5 HHBDRO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000552096507 1012112697 /nfs/dbraw/zinc/11/26/97/1012112697.db2.gz CNRJILFVQVMJLZ-OXQOHEQNSA-N 1 0 407.470 3.582 20 5 HHBDRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552097213 1012113143 /nfs/dbraw/zinc/11/31/43/1012113143.db2.gz WSIDSKBSHLSYMS-GJZGRUSLSA-N 1 0 423.560 3.788 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](C3CC3)[C@@]3(CO)CCCO3)o2)c(Cl)c1 ZINC000552146937 1012168141 /nfs/dbraw/zinc/16/81/41/1012168141.db2.gz DZZGQJDYEBKRMK-UXHICEINSA-N 1 0 406.866 3.918 20 5 HHBDRO Cn1ccnc1[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552266280 1012276638 /nfs/dbraw/zinc/27/66/38/1012276638.db2.gz FMBPAANMAXADIH-DENIHFKCSA-N 1 0 405.502 3.529 20 5 HHBDRO CCc1ccc([C@H](NC[C@H]2C[N@H+](CC(C)C)CCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549871 1012335270 /nfs/dbraw/zinc/33/52/70/1012335270.db2.gz KSZQOJAFQPHBEK-RBBKRZOGSA-N 1 0 401.507 3.786 20 5 HHBDRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000537088821 1012446291 /nfs/dbraw/zinc/44/62/91/1012446291.db2.gz ZIQUZCITGIWJNG-GFCCVEGCSA-N 1 0 407.854 3.863 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)c([N+](=O)[O-])c1 ZINC000537097027 1012459825 /nfs/dbraw/zinc/45/98/25/1012459825.db2.gz WLUILXMPUMMKEP-AWEZNQCLSA-N 1 0 417.462 3.608 20 5 HHBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000537123659 1012506036 /nfs/dbraw/zinc/50/60/36/1012506036.db2.gz BESMWSVNTNMBGO-XOBRGWDASA-N 1 0 413.449 3.979 20 5 HHBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cn(-c2ccccc2)nn1 ZINC000541690873 1012534706 /nfs/dbraw/zinc/53/47/06/1012534706.db2.gz JKRKPJFCULKPLM-HNNXBMFYSA-N 1 0 404.430 3.724 20 5 HHBDRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3ccccc3[N+](=O)[O-])cc2)C[C@H]1C ZINC000537144013 1012535963 /nfs/dbraw/zinc/53/59/63/1012535963.db2.gz BAICUVABMDRFCN-HDICACEKSA-N 1 0 411.502 3.534 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541702421 1012551307 /nfs/dbraw/zinc/55/13/07/1012551307.db2.gz ZGEHMJXTHMHFKE-LPHOPBHVSA-N 1 0 417.437 3.533 20 5 HHBDRO C[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541719809 1012571164 /nfs/dbraw/zinc/57/11/64/1012571164.db2.gz JXMSHVNOKLXEQR-CABCVRRESA-N 1 0 400.454 3.574 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541739520 1012595253 /nfs/dbraw/zinc/59/52/53/1012595253.db2.gz JGQSLGUZGDYSQG-WNYOCNMUSA-N 1 0 401.438 3.961 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000541780294 1012649202 /nfs/dbraw/zinc/64/92/02/1012649202.db2.gz HKCGNIFNFDAGPI-SFHVURJKSA-N 1 0 402.426 3.701 20 5 HHBDRO COc1cc(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000541784775 1012655144 /nfs/dbraw/zinc/65/51/44/1012655144.db2.gz JENHRXLBESUQNY-CYBMUJFWSA-N 1 0 400.422 3.638 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000552684018 1012694558 /nfs/dbraw/zinc/69/45/58/1012694558.db2.gz AFECVJPAVWIKGK-XMMPIXPASA-N 1 0 423.513 3.797 20 5 HHBDRO O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000524029155 1012778573 /nfs/dbraw/zinc/77/85/73/1012778573.db2.gz ILTNCHYOWAIXSZ-KRWDZBQOSA-N 1 0 411.458 3.607 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CC2(CO)CCOCC2)cc1 ZINC000537326244 1012784018 /nfs/dbraw/zinc/78/40/18/1012784018.db2.gz SPMFEGULHHNEMD-UHFFFAOYSA-N 1 0 406.866 3.919 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000541949674 1012810980 /nfs/dbraw/zinc/81/09/80/1012810980.db2.gz UCMMBCBZJRAPSN-INIZCTEOSA-N 1 0 411.380 3.574 20 5 HHBDRO O=C(NC[C@H](NCc1ccccc1)c1ccco1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000552868651 1012872380 /nfs/dbraw/zinc/87/23/80/1012872380.db2.gz BIUNUOJMTDELJY-SFHVURJKSA-N 1 0 404.426 3.930 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)cc2)C1 ZINC000552962984 1012949238 /nfs/dbraw/zinc/94/92/38/1012949238.db2.gz LLVOUYVICIINMW-HOTGVXAUSA-N 1 0 421.501 4.334 20 5 HHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000537469755 1012973979 /nfs/dbraw/zinc/97/39/79/1012973979.db2.gz CWODNNREUGZZNW-INIZCTEOSA-N 1 0 421.563 3.718 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000487839797 1072101417 /nfs/dbraw/zinc/10/14/17/1072101417.db2.gz SFMBMWMTSGYAKH-NRFANRHFSA-N 1 0 422.529 3.833 20 5 HHBDRO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000488204550 1072123419 /nfs/dbraw/zinc/12/34/19/1072123419.db2.gz RRAAHRAWCSRSPU-OAHLLOKOSA-N 1 0 411.930 3.876 20 5 HHBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001127032272 1072151192 /nfs/dbraw/zinc/15/11/92/1072151192.db2.gz OYTDGQPBOVXSLF-UHFFFAOYSA-N 1 0 405.458 3.937 20 5 HHBDRO Nc1cc(NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc(CO)c1[N+](=O)[O-] ZINC000587240161 1072530538 /nfs/dbraw/zinc/53/05/38/1072530538.db2.gz ZUKHTAODXXMIMC-FQEVSTJZSA-N 1 0 424.526 3.942 20 5 HHBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000555165177 1073212768 /nfs/dbraw/zinc/21/27/68/1073212768.db2.gz OMHIAALITURCFF-CYBMUJFWSA-N 1 0 405.296 3.828 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000588933383 1073348897 /nfs/dbraw/zinc/34/88/97/1073348897.db2.gz GGPVGHGGBGDUPT-BLVKFPJESA-N 1 0 409.458 3.676 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000588933386 1073349259 /nfs/dbraw/zinc/34/92/59/1073349259.db2.gz GGPVGHGGBGDUPT-BUXKBTBVSA-N 1 0 409.458 3.676 20 5 HHBDRO C[NH+](C)CCOc1cnccc1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000588959867 1073358901 /nfs/dbraw/zinc/35/89/01/1073358901.db2.gz YEAVSQJPBMPBPH-HSZRJFAPSA-N 1 0 406.486 3.809 20 5 HHBDRO COc1cc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)ccc1OCCO ZINC000555421241 1073444821 /nfs/dbraw/zinc/44/48/21/1073444821.db2.gz WOXWKYFAHAPEMY-GFCCVEGCSA-N 1 0 414.380 3.844 20 5 HHBDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000590052388 1073509645 /nfs/dbraw/zinc/50/96/45/1073509645.db2.gz BASXFTPZGANSDO-SJCJKPOMSA-N 1 0 406.280 3.753 20 5 HHBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)c(Br)c1 ZINC000590194980 1073644232 /nfs/dbraw/zinc/64/42/32/1073644232.db2.gz OSWLPAGGFZMCAP-PIGZYNQJSA-N 1 0 422.254 3.953 20 5 HHBDRO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000760886687 1074514235 /nfs/dbraw/zinc/51/42/35/1074514235.db2.gz OVXRGOQKTOWBEV-GJZGRUSLSA-N 1 0 416.478 3.985 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)cccc1[N+](=O)[O-] ZINC000592994602 1075155359 /nfs/dbraw/zinc/15/53/59/1075155359.db2.gz ZIHQWSFIDBIZNC-UHFFFAOYSA-N 1 0 423.473 3.624 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000592994563 1075155394 /nfs/dbraw/zinc/15/53/94/1075155394.db2.gz NKCURBCXQZVYPO-UHFFFAOYSA-N 1 0 423.473 3.624 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000574932993 1075440528 /nfs/dbraw/zinc/44/05/28/1075440528.db2.gz WNCYYWQIPIQKNR-QGZVFWFLSA-N 1 0 400.475 3.777 20 5 HHBDRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1cc(-c3cccc([N+](=O)[O-])c3)nnc1Cl)CC2 ZINC001164388535 718802640 /nfs/dbraw/zinc/80/26/40/718802640.db2.gz WJRJBFSMSIZEOV-UHFFFAOYSA-N 1 0 423.851 3.958 20 5 HHBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cnc4cc([N+](=O)[O-])ccc4n2)CC3)cs1 ZINC001164692842 719805434 /nfs/dbraw/zinc/80/54/34/719805434.db2.gz PTESNKIZYKRAMY-UHFFFAOYSA-N 1 0 424.530 3.938 20 5 HHBDRO Cc1ccc(-c2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nn2)cc1[N+](=O)[O-] ZINC001164735931 720416438 /nfs/dbraw/zinc/41/64/38/720416438.db2.gz ZPGMQCQVMMYJGF-LEWJYISDSA-N 1 0 416.485 3.608 20 5 HHBDRO Cc1cc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164733351 720452081 /nfs/dbraw/zinc/45/20/81/720452081.db2.gz PIASNGPSRIUBTK-LEWJYISDSA-N 1 0 416.485 3.608 20 5 HHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC001164843631 720645430 /nfs/dbraw/zinc/64/54/30/720645430.db2.gz WOXKQFDKKMLCOL-VCOUNFBDSA-N 1 0 420.517 3.717 20 5 HHBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])[C@H]2C ZINC001164863211 720941515 /nfs/dbraw/zinc/94/15/15/720941515.db2.gz YVKPGLXZBTTXIJ-NSHDSACASA-N 1 0 413.309 3.915 20 5 HHBDRO c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc5ccc6cccnc6c5n4)CC[N@@H+]3C2)c1 ZINC001164868659 721065787 /nfs/dbraw/zinc/06/57/87/721065787.db2.gz PCSIBLJPOHGNJP-YADHBBJMSA-N 1 0 411.509 3.658 20 5 HHBDRO c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc5ccc6cccnc6c5n4)CC[N@@H+]3C2)c1 ZINC001164868657 721066123 /nfs/dbraw/zinc/06/61/23/721066123.db2.gz PCSIBLJPOHGNJP-FGZHOGPDSA-N 1 0 411.509 3.658 20 5 HHBDRO CCOc1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ccc1[N+](=O)[O-] ZINC001164795035 721497648 /nfs/dbraw/zinc/49/76/48/721497648.db2.gz BEWCVZJEOMFLBZ-UHFFFAOYSA-N 1 0 411.506 3.665 20 5 HHBDRO O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164903707 721584752 /nfs/dbraw/zinc/58/47/52/721584752.db2.gz BTLAVZTWLMNIFF-SFHVURJKSA-N 1 0 423.851 3.776 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@H]21 ZINC001165018590 721800190 /nfs/dbraw/zinc/80/01/90/721800190.db2.gz BKWXWNSLGGQHGP-BMGDILEWSA-N 1 0 401.898 3.775 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@H]21 ZINC001165023553 721819080 /nfs/dbraw/zinc/81/90/80/721819080.db2.gz HWBHZIIADATOPD-ATZDWAIDSA-N 1 0 406.490 3.603 20 5 HHBDRO COc1c(C)cnc(C[NH+]2CCC(N(C)c3ccc([N+](=O)[O-])cc3F)CC2)c1C ZINC000301166599 970783633 /nfs/dbraw/zinc/78/36/33/970783633.db2.gz CVEUMXGOVQQOGJ-UHFFFAOYSA-N 1 0 402.470 3.855 20 5 HHBDRO C[NH+](C)[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1cccs1 ZINC000301176528 970789242 /nfs/dbraw/zinc/78/92/42/970789242.db2.gz LOQCKIBJSBLCMU-OAHLLOKOSA-N 1 0 419.894 3.570 20 5 HHBDRO C[NH+](C)CC1CCN(c2ccc(Nc3nc4sccn4c3[N+](=O)[O-])cc2)CC1 ZINC000301389790 970903821 /nfs/dbraw/zinc/90/38/21/970903821.db2.gz YOKNZXOCBLDHIZ-UHFFFAOYSA-N 1 0 400.508 3.826 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000301513741 970963385 /nfs/dbraw/zinc/96/33/85/970963385.db2.gz FVNHBYZKRZYXSQ-LPHOPBHVSA-N 1 0 410.474 3.874 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000301513742 970963288 /nfs/dbraw/zinc/96/32/88/970963288.db2.gz FVNHBYZKRZYXSQ-QFBILLFUSA-N 1 0 410.474 3.874 20 5 HHBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000301556595 970978741 /nfs/dbraw/zinc/97/87/41/970978741.db2.gz HKQRRPKPAUNZJV-KSSFIOAISA-N 1 0 414.462 3.626 20 5 HHBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301585504 970990577 /nfs/dbraw/zinc/99/05/77/970990577.db2.gz ORWHZGQKMSDULU-DLBZAZTESA-N 1 0 418.519 3.680 20 5 HHBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000301860366 971089235 /nfs/dbraw/zinc/08/92/35/971089235.db2.gz DKJQVDLIYOANRG-UHFFFAOYSA-N 1 0 419.323 3.897 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000302035299 971157582 /nfs/dbraw/zinc/15/75/82/971157582.db2.gz JQXKPVDPSLCZDQ-OALUTQOASA-N 1 0 414.550 3.922 20 5 HHBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000302709353 971287042 /nfs/dbraw/zinc/28/70/42/971287042.db2.gz KTCSQZFQRDEQBA-UHFFFAOYSA-N 1 0 403.504 3.596 20 5 HHBDRO Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(Br)cc1[N+](=O)[O-] ZINC000302711448 971287874 /nfs/dbraw/zinc/28/78/74/971287874.db2.gz WZUOJFGVERPQCF-INIZCTEOSA-N 1 0 420.307 3.844 20 5 HHBDRO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000302874816 971366563 /nfs/dbraw/zinc/36/65/63/971366563.db2.gz GQGQOPNMSBYWEQ-UGKGYDQZSA-N 1 0 400.475 3.960 20 5 HHBDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)COc3ccccc3[N+](=O)[O-])ccc21 ZINC000302980693 971433058 /nfs/dbraw/zinc/43/30/58/971433058.db2.gz CYWJQUVLMJMXRY-UHFFFAOYSA-N 1 0 410.474 3.909 20 5 HHBDRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OC ZINC000303031620 971466775 /nfs/dbraw/zinc/46/67/75/971466775.db2.gz PXUHOWRKGRROAH-UHFFFAOYSA-N 1 0 401.463 3.885 20 5 HHBDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)COc3cccc([N+](=O)[O-])c3)ccc21 ZINC000303048515 971475779 /nfs/dbraw/zinc/47/57/79/971475779.db2.gz RBRBHVAVLISOTR-UHFFFAOYSA-N 1 0 410.474 3.909 20 5 HHBDRO CCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303167106 971538788 /nfs/dbraw/zinc/53/87/88/971538788.db2.gz WEABHSUPMWGFKY-LJQANCHMSA-N 1 0 421.501 3.988 20 5 HHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCc1ccc(Br)cc1 ZINC000303317327 971625260 /nfs/dbraw/zinc/62/52/60/971625260.db2.gz QKPGFSBIGDJBSF-CYBMUJFWSA-N 1 0 406.280 3.859 20 5 HHBDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000303321900 971628087 /nfs/dbraw/zinc/62/80/87/971628087.db2.gz AFFGLYIHJLKMFY-QFIPXVFZSA-N 1 0 420.469 3.920 20 5 HHBDRO O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(N2CCCCC2)nc1 ZINC000537565008 1013101630 /nfs/dbraw/zinc/10/16/30/1013101630.db2.gz RTZYPPQKIMSKRV-UHFFFAOYSA-N 1 0 409.490 3.583 20 5 HHBDRO O=C(CC[NH+]1CCC(CN2CCc3ccccc32)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000303475748 971776294 /nfs/dbraw/zinc/77/62/94/971776294.db2.gz OUANEXFBVKHYLQ-UHFFFAOYSA-N 1 0 408.502 3.698 20 5 HHBDRO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000303505164 971804301 /nfs/dbraw/zinc/80/43/01/971804301.db2.gz SAKNCJRNTYOFOB-UHFFFAOYSA-N 1 0 424.482 3.650 20 5 HHBDRO CC(C)(C)c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000303540175 971840096 /nfs/dbraw/zinc/84/00/96/971840096.db2.gz UFQMRFMAZMOSGT-UHFFFAOYSA-N 1 0 403.523 3.657 20 5 HHBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000303572739 971864781 /nfs/dbraw/zinc/86/47/81/971864781.db2.gz YWNKCCFOZPYOTG-CQSZACIVSA-N 1 0 409.552 3.956 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000303627429 971909246 /nfs/dbraw/zinc/90/92/46/971909246.db2.gz QDRWENCNVAHYIY-ZWKOTPCHSA-N 1 0 418.538 3.518 20 5 HHBDRO C[C@@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+]1Cc1ccccc1 ZINC000303783728 972025116 /nfs/dbraw/zinc/02/51/16/972025116.db2.gz SXSDQOQQTFLFJK-UTKZUKDTSA-N 1 0 411.502 3.946 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000553196650 1013156335 /nfs/dbraw/zinc/15/63/35/1013156335.db2.gz XPNSBEYKCSJHGD-HXUWFJFHSA-N 1 0 419.485 3.625 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000553196649 1013156370 /nfs/dbraw/zinc/15/63/70/1013156370.db2.gz XPNSBEYKCSJHGD-FQEVSTJZSA-N 1 0 419.485 3.625 20 5 HHBDRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000303849725 972389657 /nfs/dbraw/zinc/38/96/57/972389657.db2.gz DIDKBHHYEFNUMH-CYBMUJFWSA-N 1 0 406.508 3.952 20 5 HHBDRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000303871803 972413220 /nfs/dbraw/zinc/41/32/20/972413220.db2.gz XQCOGDIWOKRMOP-HKUYNNGSSA-N 1 0 417.531 3.577 20 5 HHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000007258411 961093388 /nfs/dbraw/zinc/09/33/88/961093388.db2.gz LXWZYFABCODVLP-UHFFFAOYSA-N 1 0 410.518 3.967 20 5 HHBDRO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542280954 1013241271 /nfs/dbraw/zinc/24/12/71/1013241271.db2.gz YTXDVAARJALHCK-FQEVSTJZSA-N 1 0 408.495 3.707 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000537731986 1013293048 /nfs/dbraw/zinc/29/30/48/1013293048.db2.gz DHGRDLNWGGIBSY-GOSISDBHSA-N 1 0 413.474 3.569 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCc3ccc(C[NH+](C)C)cc3)cc2[N+](=O)[O-])C1 ZINC000015140380 962672941 /nfs/dbraw/zinc/67/29/41/962672941.db2.gz RMEMLZFMNORYQM-QGZVFWFLSA-N 1 0 410.518 3.823 20 5 HHBDRO COc1ccc([C@@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000016315667 963010058 /nfs/dbraw/zinc/01/00/58/963010058.db2.gz LIQLFIHUONOWDY-LJQANCHMSA-N 1 0 400.504 3.727 20 5 HHBDRO C[C@@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016402081 963034462 /nfs/dbraw/zinc/03/44/62/963034462.db2.gz OBUCBADNFVMPLV-MRXNPFEDSA-N 1 0 411.458 3.765 20 5 HHBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000020903546 963403216 /nfs/dbraw/zinc/40/32/16/963403216.db2.gz HBKRMVRPQJQVET-UHFFFAOYSA-N 1 0 408.502 3.589 20 5 HHBDRO COc1cccc([C@H]2[C@@H](Nc3ncnc4sc([N+](=O)[O-])cc43)CC[N@@H+]2C2CC2)c1 ZINC000553518855 1013417950 /nfs/dbraw/zinc/41/79/50/1013417950.db2.gz NQFZBYRXWUWDME-WMZOPIPTSA-N 1 0 411.487 3.998 20 5 HHBDRO O=[N+]([O-])c1ccc(CNc2ccc3[nH]c(CCN4CCOCC4)[nH+]c3c2)c(Cl)c1 ZINC000542485930 1013433158 /nfs/dbraw/zinc/43/31/58/1013433158.db2.gz HEQITXHELVLJLX-UHFFFAOYSA-N 1 0 415.881 3.611 20 5 HHBDRO CC1CC[NH+]([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000022680737 963695272 /nfs/dbraw/zinc/69/52/72/963695272.db2.gz FLTXPEDJJNUDCL-SFHVURJKSA-N 1 0 403.504 3.625 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 ZINC000553580497 1013477486 /nfs/dbraw/zinc/47/74/86/1013477486.db2.gz DOIKXBRYHNWXEF-INIZCTEOSA-N 1 0 410.879 3.707 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccs1 ZINC000050551417 964351849 /nfs/dbraw/zinc/35/18/49/964351849.db2.gz QMHQJLAQSPGGBC-OAHLLOKOSA-N 1 0 402.501 3.813 20 5 HHBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000050611002 964364085 /nfs/dbraw/zinc/36/40/85/964364085.db2.gz XMBCLMCBXAAXBV-UHFFFAOYSA-N 1 0 400.504 3.809 20 5 HHBDRO O=C(CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026219338 964488662 /nfs/dbraw/zinc/48/86/62/964488662.db2.gz DWOLGIGHTQVYLQ-UHFFFAOYSA-N 1 0 422.407 3.764 20 5 HHBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCCO1 ZINC000542562096 1013504126 /nfs/dbraw/zinc/50/41/26/1013504126.db2.gz GJVNULAJNCNONE-NUTKFTJISA-N 1 0 404.492 3.593 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000026909143 964720154 /nfs/dbraw/zinc/72/01/54/964720154.db2.gz REKSHVGOAKPCFD-UHFFFAOYSA-N 1 0 423.517 3.872 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000537949408 1013531567 /nfs/dbraw/zinc/53/15/67/1013531567.db2.gz DWDKWGZTJPUSKK-AQNXPRMDSA-N 1 0 415.559 3.691 20 5 HHBDRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)oc21 ZINC000542587906 1013528562 /nfs/dbraw/zinc/52/85/62/1013528562.db2.gz ZCGIQLOOCXTZAS-YOEHRIQHSA-N 1 0 400.431 3.830 20 5 HHBDRO O=C(NC1CC1)c1ccc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000553675443 1013539193 /nfs/dbraw/zinc/53/91/93/1013539193.db2.gz SAESXCFTYJTOBB-XMMPIXPASA-N 1 0 420.513 3.589 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537966723 1013544109 /nfs/dbraw/zinc/54/41/09/1013544109.db2.gz BNLOHWICBJURLY-ZDUSSCGKSA-N 1 0 422.279 3.743 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000542626824 1013562581 /nfs/dbraw/zinc/56/25/81/1013562581.db2.gz MCLCFGMICNXPPG-PKOBYXMFSA-N 1 0 401.438 3.833 20 5 HHBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000537988552 1013563551 /nfs/dbraw/zinc/56/35/51/1013563551.db2.gz XSYASEPCOJBMIP-JKSUJKDBSA-N 1 0 405.520 3.517 20 5 HHBDRO COc1ccc(C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000537991876 1013566577 /nfs/dbraw/zinc/56/65/77/1013566577.db2.gz TXXPSFREYPWHFG-CQSZACIVSA-N 1 0 405.882 3.784 20 5 HHBDRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000054210426 965426141 /nfs/dbraw/zinc/42/61/41/965426141.db2.gz ZIRUCQXWOMZDAF-AWEZNQCLSA-N 1 0 419.279 3.603 20 5 HHBDRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054573175 965568170 /nfs/dbraw/zinc/56/81/70/965568170.db2.gz FTTAWZQQLJLFOZ-UHFFFAOYSA-N 1 0 416.909 3.580 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000029964661 965576195 /nfs/dbraw/zinc/57/61/95/965576195.db2.gz LBHCTCQIBIBELC-UHFFFAOYSA-N 1 0 423.922 3.713 20 5 HHBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000058274304 965670869 /nfs/dbraw/zinc/67/08/69/965670869.db2.gz PXVCPBRECJRVAY-DLBZAZTESA-N 1 0 411.506 3.625 20 5 HHBDRO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542665033 1013590551 /nfs/dbraw/zinc/59/05/51/1013590551.db2.gz AHGRJHJDICVRPT-GOSISDBHSA-N 1 0 424.906 3.834 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000059408637 966022321 /nfs/dbraw/zinc/02/23/21/966022321.db2.gz JTSYKORWMMVJGU-ROUUACIJSA-N 1 0 411.502 3.768 20 5 HHBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000055749642 966046981 /nfs/dbraw/zinc/04/69/81/966046981.db2.gz FEAGTNHAQOWVFV-GUDVDZBRSA-N 1 0 405.542 3.637 20 5 HHBDRO CCc1ccc([C@H](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000060159927 966070758 /nfs/dbraw/zinc/07/07/58/966070758.db2.gz UYDDITJMPPDXGE-NRFANRHFSA-N 1 0 421.501 3.837 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000060569513 966210606 /nfs/dbraw/zinc/21/06/06/966210606.db2.gz HBMCDHXWQVSCTG-YLJYHZDGSA-N 1 0 417.531 3.749 20 5 HHBDRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056159846 966239901 /nfs/dbraw/zinc/23/99/01/966239901.db2.gz WCOCZRZHMGXRIR-ZIAGYGMSSA-N 1 0 411.462 3.557 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000056933034 966519770 /nfs/dbraw/zinc/51/97/70/966519770.db2.gz LIXKXLGXVYVSMI-HXUWFJFHSA-N 1 0 412.490 3.630 20 5 HHBDRO Cc1ccc(NC(=O)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000062046463 966606995 /nfs/dbraw/zinc/60/69/95/966606995.db2.gz ZSGBSKASEZGVAS-QGZVFWFLSA-N 1 0 424.501 3.533 20 5 HHBDRO C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+](C2CCC2)C1 ZINC000553863597 1013664509 /nfs/dbraw/zinc/66/45/09/1013664509.db2.gz ZSSBSGPEHVTHLY-AWEZNQCLSA-N 1 0 400.504 3.665 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000041886353 966660376 /nfs/dbraw/zinc/66/03/76/966660376.db2.gz QJYYEDRMDVVFCK-VMPITWQZSA-N 1 0 408.502 3.563 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCCNC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000043149269 966919044 /nfs/dbraw/zinc/91/90/44/966919044.db2.gz IVFBCDJVLSUBKQ-UHFFFAOYSA-N 1 0 411.506 3.545 20 5 HHBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000063724742 966939359 /nfs/dbraw/zinc/93/93/59/966939359.db2.gz CHHPLKDZVLDXSR-UHFFFAOYSA-N 1 0 416.444 3.748 20 5 HHBDRO COc1cccc([C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)c1 ZINC000043944095 967079462 /nfs/dbraw/zinc/07/94/62/967079462.db2.gz FJPDKPGWYXEKQP-FQEVSTJZSA-N 1 0 415.515 3.649 20 5 HHBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064522182 967224678 /nfs/dbraw/zinc/22/46/78/967224678.db2.gz RHNKOPUWMYMRGQ-HNNXBMFYSA-N 1 0 405.545 3.777 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000064736299 967278245 /nfs/dbraw/zinc/27/82/45/967278245.db2.gz ZOXDDCVVNIXGEX-SJCJKPOMSA-N 1 0 409.845 3.574 20 5 HHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000065140885 967391392 /nfs/dbraw/zinc/39/13/92/967391392.db2.gz OMUCEIXHPBMBON-FXAWDEMLSA-N 1 0 408.502 3.760 20 5 HHBDRO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000065604112 967542003 /nfs/dbraw/zinc/54/20/03/967542003.db2.gz AKGIEWWHROKARP-FQEVSTJZSA-N 1 0 424.501 3.577 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCCCC1 ZINC000045831374 967567621 /nfs/dbraw/zinc/56/76/21/967567621.db2.gz WQSJBYBGEFALDH-QHCPKHFHSA-N 1 0 405.542 3.781 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000538181168 1013739616 /nfs/dbraw/zinc/73/96/16/1013739616.db2.gz SWVYLHHLPPPIBP-DOTOQJQBSA-N 1 0 402.344 3.757 20 5 HHBDRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000538178071 1013737428 /nfs/dbraw/zinc/73/74/28/1013737428.db2.gz PMQUWKHKLGDWGV-LLVKDONJSA-N 1 0 424.379 3.861 20 5 HHBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCC(F)(F)CC1 ZINC000553992492 1013741867 /nfs/dbraw/zinc/74/18/67/1013741867.db2.gz ZPXKUDJRFWSARL-UHFFFAOYSA-N 1 0 406.227 3.806 20 5 HHBDRO COc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542932676 1013767777 /nfs/dbraw/zinc/76/77/77/1013767777.db2.gz VVIMABKYCFZLDP-LJQANCHMSA-N 1 0 423.391 3.997 20 5 HHBDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000538231715 1013780954 /nfs/dbraw/zinc/78/09/54/1013780954.db2.gz VCUUXWFKHUMIMW-STQMWFEESA-N 1 0 414.853 3.507 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000047609131 968256810 /nfs/dbraw/zinc/25/68/10/968256810.db2.gz LURDREIJFVBUCQ-HUUCEWRRSA-N 1 0 401.463 3.988 20 5 HHBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000047771610 968307700 /nfs/dbraw/zinc/30/77/00/968307700.db2.gz KBPMWEXWTOYIKW-UHFFFAOYSA-N 1 0 411.380 3.528 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccsc1 ZINC000048093784 968419799 /nfs/dbraw/zinc/41/97/99/968419799.db2.gz AYCHSGQUYGNKBH-OAHLLOKOSA-N 1 0 417.409 3.630 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)c([N+](=O)[O-])c1 ZINC000538262685 1013803689 /nfs/dbraw/zinc/80/36/89/1013803689.db2.gz GAWMSTOEWLXTLR-HNNXBMFYSA-N 1 0 423.473 3.777 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)c(C)c2)CC1 ZINC000048315753 968520106 /nfs/dbraw/zinc/52/01/06/968520106.db2.gz OEIFZFQFLSWBIM-UHFFFAOYSA-N 1 0 407.474 3.779 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000554135737 1013815554 /nfs/dbraw/zinc/81/55/54/1013815554.db2.gz OHBFYTUDCVOZDF-XGHQBKJUSA-N 1 0 423.517 3.862 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065936567 968724888 /nfs/dbraw/zinc/72/48/88/968724888.db2.gz WUGKXLLQEQGEQB-UHFFFAOYSA-N 1 0 414.893 3.793 20 5 HHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000072045770 968956571 /nfs/dbraw/zinc/95/65/71/968956571.db2.gz WPSJNRRMWAKCOC-AWEZNQCLSA-N 1 0 423.485 3.944 20 5 HHBDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000072046536 968957311 /nfs/dbraw/zinc/95/73/11/968957311.db2.gz JBNJFXJIDSVVCK-UHFFFAOYSA-N 1 0 417.893 3.899 20 5 HHBDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)c2)CC1 ZINC000072067180 968968921 /nfs/dbraw/zinc/96/89/21/968968921.db2.gz BMZBPQCXXDIWKE-UHFFFAOYSA-N 1 0 410.518 3.823 20 5 HHBDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 ZINC000097570354 969164845 /nfs/dbraw/zinc/16/48/45/969164845.db2.gz NUJSDHKZMSPKFT-UHFFFAOYSA-N 1 0 417.893 3.899 20 5 HHBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000108858891 969426715 /nfs/dbraw/zinc/42/67/15/969426715.db2.gz SXWJRAYSPULQHY-FGTMMUONSA-N 1 0 402.539 3.681 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000109120384 969465264 /nfs/dbraw/zinc/46/52/64/969465264.db2.gz IMUKBBKGSCMIFQ-DLBZAZTESA-N 1 0 411.506 3.625 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[NH+]2CCCC2)c1 ZINC000109331647 969500373 /nfs/dbraw/zinc/50/03/73/969500373.db2.gz IWDHEKKWPSIEBA-JOCHJYFZSA-N 1 0 422.485 3.511 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)C[C@H](C)O1 ZINC000109874623 969582595 /nfs/dbraw/zinc/58/25/95/969582595.db2.gz YYZHIBJRCLVAIX-HOTGVXAUSA-N 1 0 422.485 3.615 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(OC)c1 ZINC000109890187 969587567 /nfs/dbraw/zinc/58/75/67/969587567.db2.gz IBGQDAWYTGOZEB-OAQYLSRUSA-N 1 0 410.474 3.898 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000110286984 969648275 /nfs/dbraw/zinc/64/82/75/969648275.db2.gz ZOZLRDUTUJYUII-UHFFFAOYSA-N 1 0 401.463 3.689 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CCC[C@H]([NH+](C)C)C3)cc2[N+](=O)[O-])n1 ZINC000110788667 969724227 /nfs/dbraw/zinc/72/42/27/969724227.db2.gz PGLWBPLNMZFXPA-AWEZNQCLSA-N 1 0 406.533 3.677 20 5 HHBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1cccc(F)c1 ZINC000111221547 969809273 /nfs/dbraw/zinc/80/92/73/969809273.db2.gz DYZJVFUZWPYTFA-FQEVSTJZSA-N 1 0 400.454 3.685 20 5 HHBDRO CC(C)C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H](O)c1ccc(F)cc1 ZINC000112655964 969821561 /nfs/dbraw/zinc/82/15/61/969821561.db2.gz FGSYIVSUWXNEHR-IBGZPJMESA-N 1 0 414.437 3.976 20 5 HHBDRO CCCNC(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236842636 970179526 /nfs/dbraw/zinc/17/95/26/970179526.db2.gz OFRBQQFJUZFXHN-UHFFFAOYSA-N 1 0 410.268 3.623 20 5 HHBDRO Cc1ccc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)cc1[N+](=O)[O-] ZINC000237143027 970231364 /nfs/dbraw/zinc/23/13/64/970231364.db2.gz SZJJZJVNUOSDNE-UHFFFAOYSA-N 1 0 420.307 3.804 20 5 HHBDRO COc1ccc(C[NH2+]Cc2cccc(CO)c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237240290 970247363 /nfs/dbraw/zinc/24/73/63/970247363.db2.gz QRQLGFQMQUKHCF-UHFFFAOYSA-N 1 0 408.454 3.965 20 5 HHBDRO COc1ccc(CNC(=O)C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000237313186 970260778 /nfs/dbraw/zinc/26/07/78/970260778.db2.gz RICDLZPEBUZQFA-UHFFFAOYSA-N 1 0 411.483 3.738 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]CCNC(=O)c3ccccc3F)o2)c([N+](=O)[O-])c1 ZINC000237427117 970283992 /nfs/dbraw/zinc/28/39/92/970283992.db2.gz OBUCSQGOFWMZTJ-UHFFFAOYSA-N 1 0 413.405 3.522 20 5 HHBDRO C[C@@H]1CN([C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c2c(F)cccc2Cl)CCO1 ZINC000237432523 970285324 /nfs/dbraw/zinc/28/53/24/970285324.db2.gz FAOKDERBVXZNLF-KUHUBIRLSA-N 1 0 407.873 3.939 20 5 HHBDRO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000237469195 970294032 /nfs/dbraw/zinc/29/40/32/970294032.db2.gz UASDTNADEZZAQI-MRXNPFEDSA-N 1 0 421.501 3.840 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000237495040 970301060 /nfs/dbraw/zinc/30/10/60/970301060.db2.gz LPADVHOJEVWZED-CYBMUJFWSA-N 1 0 419.865 3.569 20 5 HHBDRO COc1cccc(N2CCC[C@H]([NH2+]Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000237510316 970306242 /nfs/dbraw/zinc/30/62/42/970306242.db2.gz LORKFTNJEOOKKS-IBGZPJMESA-N 1 0 421.501 3.763 20 5 HHBDRO Cn1cc(C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237667457 970335022 /nfs/dbraw/zinc/33/50/22/970335022.db2.gz LHSHMOXAPBYFJI-UHFFFAOYSA-N 1 0 421.379 3.621 20 5 HHBDRO Cn1cc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237752832 970354924 /nfs/dbraw/zinc/35/49/24/970354924.db2.gz APIQXCPVANXCFX-UHFFFAOYSA-N 1 0 408.458 3.791 20 5 HHBDRO Cn1cc(C[NH2+]CCc2cnn(-c3ccccc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237762449 970358094 /nfs/dbraw/zinc/35/80/94/970358094.db2.gz OKRZUPCJWDIUSX-UHFFFAOYSA-N 1 0 402.458 3.513 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000237784643 970365944 /nfs/dbraw/zinc/36/59/44/970365944.db2.gz YLUMSDQEEMNAGY-LAEWNIMASA-N 1 0 401.894 3.925 20 5 HHBDRO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000237935956 970398550 /nfs/dbraw/zinc/39/85/50/970398550.db2.gz PSNPFEUXTZEFTE-NWDGAFQWSA-N 1 0 422.279 3.751 20 5 HHBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000554599221 1013986435 /nfs/dbraw/zinc/98/64/35/1013986435.db2.gz NIDYHRMEWQXLMJ-INIZCTEOSA-N 1 0 413.468 3.906 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+]CCc3nnc4n3CCC4)cc2[N+](=O)[O-])cc1 ZINC000237967314 970407628 /nfs/dbraw/zinc/40/76/28/970407628.db2.gz JFBJDRGNVOSRFI-UHFFFAOYSA-N 1 0 409.515 3.924 20 5 HHBDRO COc1ccc(OC)c(C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)c1 ZINC000164584261 970449648 /nfs/dbraw/zinc/44/96/48/970449648.db2.gz DWMGBLWFSOEZNY-UHFFFAOYSA-N 1 0 413.474 3.914 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCCN2CCC(O)CC2)cc1 ZINC000238150709 970450194 /nfs/dbraw/zinc/45/01/94/970450194.db2.gz NBXIIFGNLDAVGJ-UHFFFAOYSA-N 1 0 419.909 3.977 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CC[NH+](CC(C)C)CC3)cc2[N+](=O)[O-])n1 ZINC000255951367 970603619 /nfs/dbraw/zinc/60/36/19/970603619.db2.gz KUKSURORNYMOCH-UHFFFAOYSA-N 1 0 420.560 3.925 20 5 HHBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000305500213 972613364 /nfs/dbraw/zinc/61/33/64/972613364.db2.gz XROZKRDXMVIYSP-HNNXBMFYSA-N 1 0 418.291 3.752 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000554846266 1014072899 /nfs/dbraw/zinc/07/28/99/1014072899.db2.gz QBKCAPIFOLUTNZ-INIZCTEOSA-N 1 0 415.412 3.987 20 5 HHBDRO COc1ccccc1C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000409856240 973325378 /nfs/dbraw/zinc/32/53/78/973325378.db2.gz OWCHQOQOZDALNH-SFHVURJKSA-N 1 0 413.474 3.613 20 5 HHBDRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000425957975 974062146 /nfs/dbraw/zinc/06/21/46/974062146.db2.gz DKVFDOUHGYFSAC-GFCCVEGCSA-N 1 0 412.364 3.844 20 5 HHBDRO CCN(CCC[NH+]1CCCC1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426262240 974355167 /nfs/dbraw/zinc/35/51/67/974355167.db2.gz DGYGISYAAFMDFM-UHFFFAOYSA-N 1 0 402.417 3.631 20 5 HHBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426265661 974357048 /nfs/dbraw/zinc/35/70/48/974357048.db2.gz VUKZYQRCUSQITD-HNNXBMFYSA-N 1 0 402.417 3.629 20 5 HHBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426469968 974469196 /nfs/dbraw/zinc/46/91/96/974469196.db2.gz ROOGCMXEXKFWRN-JOCHJYFZSA-N 1 0 408.502 3.933 20 5 HHBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000426687949 974599676 /nfs/dbraw/zinc/59/96/76/974599676.db2.gz TVYQHRNGEOIAMG-LJQANCHMSA-N 1 0 411.502 3.978 20 5 HHBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000426706876 974607748 /nfs/dbraw/zinc/60/77/48/974607748.db2.gz XUFGXTKXFHDRFQ-HXUWFJFHSA-N 1 0 423.513 3.978 20 5 HHBDRO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000427202930 974975612 /nfs/dbraw/zinc/97/56/12/974975612.db2.gz DUFFIQPPEYMNDI-UHFFFAOYSA-N 1 0 413.474 3.867 20 5 HHBDRO CSc1ccc(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000427296269 975032963 /nfs/dbraw/zinc/03/29/63/975032963.db2.gz NLFAOPRNRQJDEP-HOTGVXAUSA-N 1 0 421.563 3.668 20 5 HHBDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)C[C@H](C)O1 ZINC000427319350 975049419 /nfs/dbraw/zinc/04/94/19/975049419.db2.gz FXEUKYVKNGSQCN-IYBDPMFKSA-N 1 0 415.490 3.693 20 5 HHBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000427486297 975142650 /nfs/dbraw/zinc/14/26/50/975142650.db2.gz INTDVZQJMPSABM-UHFFFAOYSA-N 1 0 405.458 3.937 20 5 HHBDRO CC[NH+]1CCN(c2ccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)CC1 ZINC000427574299 975194025 /nfs/dbraw/zinc/19/40/25/975194025.db2.gz NMLPUHPFKNAQGB-UHFFFAOYSA-N 1 0 408.502 3.542 20 5 HHBDRO C[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000427824267 975309779 /nfs/dbraw/zinc/30/97/79/975309779.db2.gz DTKDHHIROTWMDC-PSVSLLHZSA-N 1 0 409.895 3.929 20 5 HHBDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000428475152 975773439 /nfs/dbraw/zinc/77/34/39/975773439.db2.gz BMFYASWTLJUVSO-IVEQORNPSA-N 1 0 415.515 3.841 20 5 HHBDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000428480551 975778416 /nfs/dbraw/zinc/77/84/16/975778416.db2.gz IIGXCZOVLJQHTN-LBPRGKRZSA-N 1 0 413.421 3.824 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000428531745 975826319 /nfs/dbraw/zinc/82/63/19/975826319.db2.gz DHLVZBSOKYUXRQ-OAHLLOKOSA-N 1 0 423.307 3.697 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000428547196 975854100 /nfs/dbraw/zinc/85/41/00/975854100.db2.gz YFXZXAIRCQQYCO-WMHVBEDNSA-N 1 0 405.292 3.811 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-])c1ccccn1 ZINC000428712514 976002569 /nfs/dbraw/zinc/00/25/69/976002569.db2.gz NJKGTOVWJUFTSB-DJPFJPOOSA-N 1 0 423.517 3.719 20 5 HHBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000428719259 976008043 /nfs/dbraw/zinc/00/80/43/976008043.db2.gz IAJFLAZSSIFJRR-TZMCWYRMSA-N 1 0 417.453 3.648 20 5 HHBDRO COc1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430155585 977353473 /nfs/dbraw/zinc/35/34/73/977353473.db2.gz ZQKJWCSSBXTSFK-HSZRJFAPSA-N 1 0 411.502 3.710 20 5 HHBDRO CN(C(=O)[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1)c1ccccc1 ZINC000430301580 977461320 /nfs/dbraw/zinc/46/13/20/977461320.db2.gz QBMUTVGZYXCTJX-GOSISDBHSA-N 1 0 420.469 3.777 20 5 HHBDRO Cc1cc(OCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000430585250 977644552 /nfs/dbraw/zinc/64/45/52/977644552.db2.gz QCWPTFYJIIKMRH-IHWFROFDSA-N 1 0 409.486 3.594 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000430666123 977677548 /nfs/dbraw/zinc/67/75/48/977677548.db2.gz YHOOZMALIHINNQ-CRAIPNDOSA-N 1 0 401.894 3.960 20 5 HHBDRO Cc1cc(OCC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000430784851 977756001 /nfs/dbraw/zinc/75/60/01/977756001.db2.gz RVFCAAJHALOZJW-ROUUACIJSA-N 1 0 411.502 3.555 20 5 HHBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000431025238 977962672 /nfs/dbraw/zinc/96/26/72/977962672.db2.gz RXIYULQWSMQJMW-OAHLLOKOSA-N 1 0 424.339 3.941 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000431050657 977980385 /nfs/dbraw/zinc/98/03/85/977980385.db2.gz VHIKGTMKZXJXBJ-GHTZIAJQSA-N 1 0 410.518 3.956 20 5 HHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000431162258 978062681 /nfs/dbraw/zinc/06/26/81/978062681.db2.gz IGQHOCNJQVIIGP-UHFFFAOYSA-N 1 0 406.280 3.739 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431164269 978065273 /nfs/dbraw/zinc/06/52/73/978065273.db2.gz UXALRQDTPWXTKQ-CHWSQXEVSA-N 1 0 412.328 3.844 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000431167389 978067498 /nfs/dbraw/zinc/06/74/98/978067498.db2.gz COJYZOKQNOYRDA-MRXNPFEDSA-N 1 0 410.243 3.529 20 5 HHBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431511136 978339430 /nfs/dbraw/zinc/33/94/30/978339430.db2.gz WRWOPDOJLHBVTN-UHFFFAOYSA-N 1 0 418.291 3.752 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000431785804 978512236 /nfs/dbraw/zinc/51/22/36/978512236.db2.gz PMIMZUWNBOHDQW-MRXNPFEDSA-N 1 0 410.243 3.529 20 5 HHBDRO O=C(NCc1ccccc1[N+](=O)[O-])N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431810116 978530427 /nfs/dbraw/zinc/53/04/27/978530427.db2.gz NVFXLUZIBNDOMC-UHFFFAOYSA-N 1 0 408.502 3.793 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1C ZINC000431915290 978598005 /nfs/dbraw/zinc/59/80/05/978598005.db2.gz AGZGIEMKPSBHKK-IEBWSBKVSA-N 1 0 417.531 3.543 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)o1 ZINC000431974074 978625963 /nfs/dbraw/zinc/62/59/63/978625963.db2.gz PWZIZWIXILXFPT-SFHVURJKSA-N 1 0 400.479 3.868 20 5 HHBDRO C[C@@H]1COCC[C@@H]1[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000432229633 978723293 /nfs/dbraw/zinc/72/32/93/978723293.db2.gz SMMSGJLFACLKJG-XVGQJIODSA-N 1 0 403.866 3.943 20 5 HHBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000432333864 978765053 /nfs/dbraw/zinc/76/50/53/978765053.db2.gz IAFRKCNLKBPFBB-SJCJKPOMSA-N 1 0 404.264 3.813 20 5 HHBDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433152984 979102128 /nfs/dbraw/zinc/10/21/28/979102128.db2.gz UNGFEBYCGCNYTR-BFUOFWGJSA-N 1 0 403.504 3.576 20 5 HHBDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433164275 979110125 /nfs/dbraw/zinc/11/01/25/979110125.db2.gz DVMWPOAHEDFAKB-QFIPXVFZSA-N 1 0 422.529 3.776 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000434420647 980161173 /nfs/dbraw/zinc/16/11/73/980161173.db2.gz HLMWHSNCIOMTJX-VQIMIIECSA-N 1 0 423.517 3.910 20 5 HHBDRO O=C1C[C@]2(CC[N@@H+](Cc3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)C2)CN1 ZINC000435052270 980597382 /nfs/dbraw/zinc/59/73/82/980597382.db2.gz GPYNIYWTBTZPLE-HXUWFJFHSA-N 1 0 401.850 3.753 20 5 HHBDRO Cc1c(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435322256 980780649 /nfs/dbraw/zinc/78/06/49/980780649.db2.gz BFXWKZDBRVIGNS-CQSZACIVSA-N 1 0 411.300 3.758 20 5 HHBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435324350 980783323 /nfs/dbraw/zinc/78/33/23/980783323.db2.gz VUXPTXRHSRSOCR-UHFFFAOYSA-N 1 0 401.305 3.861 20 5 HHBDRO Cc1sc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000435371348 980820735 /nfs/dbraw/zinc/82/07/35/980820735.db2.gz MGTUYCKZHGUJMU-INIZCTEOSA-N 1 0 411.487 3.861 20 5 HHBDRO C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[N@@H+]1CCCC[C@H]1C ZINC000436096178 981197927 /nfs/dbraw/zinc/19/79/27/981197927.db2.gz FAQLULQELJFVDB-ZIAGYGMSSA-N 1 0 413.468 3.952 20 5 HHBDRO CCC[NH+]1CCC(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000436243465 981266220 /nfs/dbraw/zinc/26/62/20/981266220.db2.gz WCVKIQFVPFIVGC-UHFFFAOYSA-N 1 0 413.468 3.811 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436249416 981268535 /nfs/dbraw/zinc/26/85/35/981268535.db2.gz VJFYLHTVKHRUFF-CQSZACIVSA-N 1 0 413.468 3.810 20 5 HHBDRO C[N@H+](CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1CCCCC1 ZINC000436310045 981291555 /nfs/dbraw/zinc/29/15/55/981291555.db2.gz GOPHLVPQBSUUDO-UHFFFAOYSA-N 1 0 413.468 3.954 20 5 HHBDRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436346005 981314653 /nfs/dbraw/zinc/31/46/53/981314653.db2.gz ROCRTGQTGHIANM-LBPRGKRZSA-N 1 0 415.441 3.732 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000460351320 982124009 /nfs/dbraw/zinc/12/40/09/982124009.db2.gz AMAKDKHFQUNUEO-YPGOJHLTSA-N 1 0 421.501 3.891 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000437707963 982309606 /nfs/dbraw/zinc/30/96/06/982309606.db2.gz GWIALRYMMYOMTN-UHFFFAOYSA-N 1 0 424.501 3.817 20 5 HHBDRO Cc1c(CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000460858657 982603834 /nfs/dbraw/zinc/60/38/34/982603834.db2.gz SWTDHUXTQMUROI-RTWAWAEBSA-N 1 0 408.502 3.567 20 5 HHBDRO CSC1(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[NH+](C)CC1 ZINC000460967477 982697659 /nfs/dbraw/zinc/69/76/59/982697659.db2.gz ZIDIZYWDRNMSBF-UHFFFAOYSA-N 1 0 415.515 3.944 20 5 HHBDRO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)Nc1ccc(Br)cc1 ZINC000438534380 982871390 /nfs/dbraw/zinc/87/13/90/982871390.db2.gz VGQUXOAXWUPPFW-UHFFFAOYSA-N 1 0 404.264 3.744 20 5 HHBDRO CC[NH+]1CCC(CCNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000461217662 982929754 /nfs/dbraw/zinc/92/97/54/982929754.db2.gz NDKUIGJXMOLHRE-QZTJIDSGSA-N 1 0 416.566 3.929 20 5 HHBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000438621429 982943533 /nfs/dbraw/zinc/94/35/33/982943533.db2.gz IWPDCEVRCHNRPF-UHFFFAOYSA-N 1 0 414.434 3.853 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)cc2[N+](=O)[O-])CC1 ZINC000461260708 982966667 /nfs/dbraw/zinc/96/66/67/982966667.db2.gz HAVHZOYCMPSPPJ-IBGZPJMESA-N 1 0 402.539 3.778 20 5 HHBDRO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000461375319 983049444 /nfs/dbraw/zinc/04/94/44/983049444.db2.gz KJBULSOBXKBOTI-QGZVFWFLSA-N 1 0 412.490 3.533 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CCO)C2CCOCC2)ccc1Oc1ccc(F)cc1 ZINC000461421220 983084554 /nfs/dbraw/zinc/08/45/54/983084554.db2.gz BCIPQTMQLBKINJ-IBGZPJMESA-N 1 0 404.438 3.793 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)cc2[N+](=O)[O-])CC1 ZINC000461422697 983086544 /nfs/dbraw/zinc/08/65/44/983086544.db2.gz JHUAZJZEXPZIJS-IBGZPJMESA-N 1 0 414.550 3.779 20 5 HHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)COCc3ccccc3Cl)CC2)cc1 ZINC000438816394 983090846 /nfs/dbraw/zinc/09/08/46/983090846.db2.gz CAZGECRDMSUNDS-SFHVURJKSA-N 1 0 420.893 3.669 20 5 HHBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461456646 983122778 /nfs/dbraw/zinc/12/27/78/983122778.db2.gz PWYHDZFIUHSZRA-HKUYNNGSSA-N 1 0 405.454 3.935 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461457339 983123637 /nfs/dbraw/zinc/12/36/37/983123637.db2.gz QCCJODVLJOIUDP-NHCUHLMSSA-N 1 0 418.497 3.530 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000439082839 983241675 /nfs/dbraw/zinc/24/16/75/983241675.db2.gz FHZAUGYSMONGDS-ZDUSSCGKSA-N 1 0 403.870 3.990 20 5 HHBDRO C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000439440603 983410271 /nfs/dbraw/zinc/41/02/71/983410271.db2.gz OMROPVGXIPIXRF-ZBEGNZNMSA-N 1 0 413.243 3.587 20 5 HHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000439772107 983532825 /nfs/dbraw/zinc/53/28/25/983532825.db2.gz VTZJVWCLUSHKKG-HOTGVXAUSA-N 1 0 414.531 3.812 20 5 HHBDRO CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440450690 983761760 /nfs/dbraw/zinc/76/17/60/983761760.db2.gz USWDHLFMZOTYKB-UHFFFAOYSA-N 1 0 407.474 3.741 20 5 HHBDRO CC1(C)C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440538732 983788568 /nfs/dbraw/zinc/78/85/68/983788568.db2.gz VMBBTRINCWZURX-VVBPWWLESA-N 1 0 415.490 3.562 20 5 HHBDRO C[N@H+](CCOc1cccc(CNc2c(F)cc([N+](=O)[O-])cc2F)c1)C1CCOCC1 ZINC000440591527 983805498 /nfs/dbraw/zinc/80/54/98/983805498.db2.gz AOORHPOBRRVLMA-UHFFFAOYSA-N 1 0 421.444 3.975 20 5 HHBDRO COc1ccc(OCC[N@H+](C)Cc2ccc(Br)s2)c([N+](=O)[O-])c1 ZINC000441180156 984103873 /nfs/dbraw/zinc/10/38/73/984103873.db2.gz MGESOWSTUQRUIF-UHFFFAOYSA-N 1 0 401.282 3.938 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441282361 984157443 /nfs/dbraw/zinc/15/74/43/984157443.db2.gz VDXPYGKJFJIVQT-JKSUJKDBSA-N 1 0 419.909 3.809 20 5 HHBDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000441386816 984224078 /nfs/dbraw/zinc/22/40/78/984224078.db2.gz XBIIFVNFNOGIAZ-VXKWHMMOSA-N 1 0 419.485 3.545 20 5 HHBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000461630584 984651390 /nfs/dbraw/zinc/65/13/90/984651390.db2.gz YPQPOYDMIWHHGR-CYBMUJFWSA-N 1 0 401.457 3.810 20 5 HHBDRO CC[NH+](CC)CCSc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000462113969 985084351 /nfs/dbraw/zinc/08/43/51/985084351.db2.gz VIXCCGVXGHWCIW-UHFFFAOYSA-N 1 0 415.581 3.593 20 5 HHBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Br)s1 ZINC000442741714 985197721 /nfs/dbraw/zinc/19/77/21/985197721.db2.gz WAQMIFSUXMRMCB-ZWNOBZJWSA-N 1 0 410.293 3.875 20 5 HHBDRO C[C@H](c1ccsc1)N1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000462474062 985431619 /nfs/dbraw/zinc/43/16/19/985431619.db2.gz QODUVJWRIFCKTF-CYBMUJFWSA-N 1 0 408.911 3.627 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000462482412 985438070 /nfs/dbraw/zinc/43/80/70/985438070.db2.gz GIGQAYAPGKZUIE-LJQANCHMSA-N 1 0 417.550 3.703 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000468002479 985652356 /nfs/dbraw/zinc/65/23/56/985652356.db2.gz GEUDZNJUBLSZOO-UHFFFAOYSA-N 1 0 400.401 3.830 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000468011171 985663627 /nfs/dbraw/zinc/66/36/27/985663627.db2.gz GOCRTRPHMGMSQJ-UHFFFAOYSA-N 1 0 416.400 3.530 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000462818355 985744809 /nfs/dbraw/zinc/74/48/09/985744809.db2.gz JXQJMXHKHWHLOG-HOTGVXAUSA-N 1 0 400.454 3.567 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000462835576 985758050 /nfs/dbraw/zinc/75/80/50/985758050.db2.gz BHUPIVNFPOJHDO-MRXNPFEDSA-N 1 0 420.510 3.626 20 5 HHBDRO CN1CC[N@H+](CCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H](c2ccccc2)C1 ZINC000462924232 985857558 /nfs/dbraw/zinc/85/75/58/985857558.db2.gz LPYHBSMZCCGPNW-IBGZPJMESA-N 1 0 420.460 3.987 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000462996403 985946223 /nfs/dbraw/zinc/94/62/23/985946223.db2.gz YPLKUUDPVAFBPR-YADHBBJMSA-N 1 0 409.530 3.844 20 5 HHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1OCCCO ZINC000463035641 985994842 /nfs/dbraw/zinc/99/48/42/985994842.db2.gz IMUIRAKTXWJYKK-ZDUSSCGKSA-N 1 0 409.280 3.969 20 5 HHBDRO COc1ccc([C@@H](C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 ZINC000468390370 986090848 /nfs/dbraw/zinc/09/08/48/986090848.db2.gz VEBXJZOPCFGHNI-WZONZLPQSA-N 1 0 413.518 3.588 20 5 HHBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000443999291 986198034 /nfs/dbraw/zinc/19/80/34/986198034.db2.gz AEWLWIUVUWNOGJ-OKILXGFUSA-N 1 0 413.468 3.952 20 5 HHBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444027368 986221865 /nfs/dbraw/zinc/22/18/65/986221865.db2.gz CGRPBOSRLNWITP-MRXNPFEDSA-N 1 0 413.468 3.954 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000468641983 986356719 /nfs/dbraw/zinc/35/67/19/986356719.db2.gz HQQXIQLVVVSRTR-SFQUDFHCSA-N 1 0 408.502 3.808 20 5 HHBDRO COc1ccc([C@@H](C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000468643308 986358409 /nfs/dbraw/zinc/35/84/09/986358409.db2.gz OVQGKNVLAXTYRN-NLMIPJBGSA-N 1 0 411.502 3.670 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463444152 986423446 /nfs/dbraw/zinc/42/34/46/986423446.db2.gz QNIMGEBCNGFPCD-QHCPKHFHSA-N 1 0 411.502 3.549 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463456167 986437234 /nfs/dbraw/zinc/43/72/34/986437234.db2.gz YZKAAHQLRVKRJA-HSZRJFAPSA-N 1 0 411.502 3.549 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000468745157 986458923 /nfs/dbraw/zinc/45/89/23/986458923.db2.gz QLPCKIDZTCKRGG-SDXDJHTJSA-N 1 0 422.529 3.850 20 5 HHBDRO COc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000444292058 986478722 /nfs/dbraw/zinc/47/87/22/986478722.db2.gz JWGJNAQTKFMYFR-AZUAARDMSA-N 1 0 409.486 3.730 20 5 HHBDRO C[NH+](C)CC1(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCCC1 ZINC000444307986 986491012 /nfs/dbraw/zinc/49/10/12/986491012.db2.gz CHZGJZMDNKPBRR-UHFFFAOYSA-N 1 0 413.468 3.811 20 5 HHBDRO CCOC(=O)c1csc(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000468980341 986685658 /nfs/dbraw/zinc/68/56/58/986685658.db2.gz PIQAQFACZAHANP-HOCLYGCPSA-N 1 0 403.504 3.772 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1OC ZINC000469003816 986709444 /nfs/dbraw/zinc/70/94/44/986709444.db2.gz KVKPOLZFCIXVFK-INIZCTEOSA-N 1 0 415.446 3.640 20 5 HHBDRO CC1(C)CC(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC(C)(C)[NH2+]1 ZINC000444597522 986784045 /nfs/dbraw/zinc/78/40/45/986784045.db2.gz MMDWLTGPPHZNLO-UHFFFAOYSA-N 1 0 413.468 3.999 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000469160879 986885142 /nfs/dbraw/zinc/88/51/42/986885142.db2.gz YXWBDJZHHLNUOW-QRWLVFNGSA-N 1 0 417.456 3.975 20 5 HHBDRO CCOc1cc(C[NH2+]C2(c3ccc(OC)c(F)c3)CCOCC2)ccc1[N+](=O)[O-] ZINC000444814267 986967775 /nfs/dbraw/zinc/96/77/75/986967775.db2.gz SYMKENLKTNPDFS-UHFFFAOYSA-N 1 0 404.438 3.937 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469452159 987138157 /nfs/dbraw/zinc/13/81/57/987138157.db2.gz KAQUSFYLAWXDGL-QGZVFWFLSA-N 1 0 406.429 3.567 20 5 HHBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445137474 987235129 /nfs/dbraw/zinc/23/51/29/987235129.db2.gz RDLHZQQGOGRFLL-UHFFFAOYSA-N 1 0 412.493 3.723 20 5 HHBDRO C[N@@H+]1CCCC12CCN(c1c3cc(Br)ccc3ncc1[N+](=O)[O-])CC2 ZINC000445600905 987670979 /nfs/dbraw/zinc/67/09/79/987670979.db2.gz OAYCSXLRLFHRLW-UHFFFAOYSA-N 1 0 405.296 3.970 20 5 HHBDRO CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000470149526 988057206 /nfs/dbraw/zinc/05/72/06/988057206.db2.gz ATPGCGZTZUZZOM-VQTJNVASSA-N 1 0 421.517 3.535 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000470180042 988096255 /nfs/dbraw/zinc/09/62/55/988096255.db2.gz HGLNHYLCTDZYII-FOWTUZBSSA-N 1 0 401.429 3.585 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000470181687 988098219 /nfs/dbraw/zinc/09/82/19/988098219.db2.gz ASVVKOQOKZMSCG-SAPNQHFASA-N 1 0 418.515 3.803 20 5 HHBDRO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470662573 988682425 /nfs/dbraw/zinc/68/24/25/988682425.db2.gz KOCCSHYRUWSRRO-JOCHJYFZSA-N 1 0 410.518 3.910 20 5 HHBDRO CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470666173 988687124 /nfs/dbraw/zinc/68/71/24/988687124.db2.gz FHIFHBIINVYWIF-JOCHJYFZSA-N 1 0 419.485 3.517 20 5 HHBDRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464778916 989005465 /nfs/dbraw/zinc/00/54/65/989005465.db2.gz TWYYCSJMEUJMDM-GOSISDBHSA-N 1 0 411.502 3.794 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000464832846 989073444 /nfs/dbraw/zinc/07/34/44/989073444.db2.gz DFOHWNWRUJJLMJ-HKUYNNGSSA-N 1 0 410.518 3.827 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464836308 989079289 /nfs/dbraw/zinc/07/92/89/989079289.db2.gz JYSVUNGAXGKFCU-IBGZPJMESA-N 1 0 410.518 3.828 20 5 HHBDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)c(OCC)c2)CC1 ZINC000471163622 989283660 /nfs/dbraw/zinc/28/36/60/989283660.db2.gz YUZSEDUPRHSGMZ-UHFFFAOYSA-N 1 0 412.490 3.778 20 5 HHBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000464986086 989290382 /nfs/dbraw/zinc/29/03/82/989290382.db2.gz NFSZAEPHNGYIEN-LJQANCHMSA-N 1 0 406.486 3.530 20 5 HHBDRO C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000471528207 989727980 /nfs/dbraw/zinc/72/79/80/989727980.db2.gz LKONCYOPBGQQMU-XOBRGWDASA-N 1 0 405.882 3.825 20 5 HHBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000465615024 990000936 /nfs/dbraw/zinc/00/09/36/990000936.db2.gz GKEWUGZWVVHWEM-UHFFFAOYSA-N 1 0 416.909 3.755 20 5 HHBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465879557 990997286 /nfs/dbraw/zinc/99/72/86/990997286.db2.gz ZNQRQWHOIZNWPQ-IBGZPJMESA-N 1 0 418.538 3.802 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000466207653 991412766 /nfs/dbraw/zinc/41/27/66/991412766.db2.gz VRJZFRGMCRBOCD-GOSISDBHSA-N 1 0 402.882 3.712 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[NH+]2CCCC2)o1 ZINC000466222710 991439722 /nfs/dbraw/zinc/43/97/22/991439722.db2.gz HKZNYABOSCQOQJ-KRWDZBQOSA-N 1 0 406.870 3.786 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000466228732 991452136 /nfs/dbraw/zinc/45/21/36/991452136.db2.gz SHEIJGVNEBTIJV-KRWDZBQOSA-N 1 0 402.882 3.712 20 5 HHBDRO COCC[C@@H]1CCCC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000467279898 992602191 /nfs/dbraw/zinc/60/21/91/992602191.db2.gz URWMBBSRTQMHEE-AWEZNQCLSA-N 1 0 402.438 3.886 20 5 HHBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000467550223 992829334 /nfs/dbraw/zinc/82/93/34/992829334.db2.gz IDMSHMLLMPDGQZ-NRFANRHFSA-N 1 0 402.447 3.647 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000472171745 993217092 /nfs/dbraw/zinc/21/70/92/993217092.db2.gz CVPGCKQWDGIOKB-HDICACEKSA-N 1 0 414.893 3.522 20 5 HHBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472478630 993481075 /nfs/dbraw/zinc/48/10/75/993481075.db2.gz UEDUUFIVWJBWBD-HXUWFJFHSA-N 1 0 407.474 3.741 20 5 HHBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000480732864 993598547 /nfs/dbraw/zinc/59/85/47/993598547.db2.gz SMVSXUPZRYJPOH-MJGOQNOKSA-N 1 0 417.531 3.543 20 5 HHBDRO COCC[C@H](c1ccccc1)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481175772 994005783 /nfs/dbraw/zinc/00/57/83/994005783.db2.gz JNSWLFPBIWHDOE-OAQYLSRUSA-N 1 0 409.490 3.761 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000473276050 994125284 /nfs/dbraw/zinc/12/52/84/994125284.db2.gz AYVXKFXPMFTLKX-BRLLKYFNSA-N 1 0 406.486 3.963 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000481377834 994209397 /nfs/dbraw/zinc/20/93/97/994209397.db2.gz VQBRHAUAJFBCSN-QAPCUYQASA-N 1 0 423.560 3.635 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481387455 994218241 /nfs/dbraw/zinc/21/82/41/994218241.db2.gz BVBCCFVQLGQUNE-RNODOKPDSA-N 1 0 421.881 3.951 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)C1CC1 ZINC000481566033 994401279 /nfs/dbraw/zinc/40/12/79/994401279.db2.gz QWQZUGBLRWXSOG-FQEVSTJZSA-N 1 0 424.497 3.983 20 5 HHBDRO O=C(Nc1cccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1)[C@H]1CCCO1 ZINC000481568081 994403503 /nfs/dbraw/zinc/40/35/03/994403503.db2.gz JBIQCSIKZAPSJG-IFMALSPDSA-N 1 0 409.486 3.823 20 5 HHBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481869066 994731474 /nfs/dbraw/zinc/73/14/74/994731474.db2.gz VZKANSSIFHCESQ-NHCUHLMSSA-N 1 0 423.513 3.877 20 5 HHBDRO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000481881708 994745427 /nfs/dbraw/zinc/74/54/27/994745427.db2.gz JVIYDKWSTHWWNE-VQTJNVASSA-N 1 0 409.486 3.730 20 5 HHBDRO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000481881754 994745554 /nfs/dbraw/zinc/74/55/54/994745554.db2.gz USGKMCOQNPINCE-UHFFFAOYSA-N 1 0 405.458 3.511 20 5 HHBDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000482007037 994912037 /nfs/dbraw/zinc/91/20/37/994912037.db2.gz GHCFCUBVUSKEKM-VQTJNVASSA-N 1 0 415.877 3.965 20 5 HHBDRO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000482009940 994916045 /nfs/dbraw/zinc/91/60/45/994916045.db2.gz QINYXQPWESYYSY-OAHLLOKOSA-N 1 0 422.441 3.723 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]Cc2cc(Br)ccc2C)cc1[N+](=O)[O-] ZINC000473980850 994967084 /nfs/dbraw/zinc/96/70/84/994967084.db2.gz AGMYPCGGDDZWEK-UHFFFAOYSA-N 1 0 423.263 3.507 20 5 HHBDRO COc1cccc([C@H]2[C@H](NC(=O)Cc3cccc([N+](=O)[O-])c3C)CC[N@@H+]2C2CC2)c1 ZINC000482096542 995039428 /nfs/dbraw/zinc/03/94/28/995039428.db2.gz BMQCFQOHFCRFDP-OFNKIYASSA-N 1 0 409.486 3.549 20 5 HHBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000474154918 995137969 /nfs/dbraw/zinc/13/79/69/995137969.db2.gz AVIVCKXQUNRJJX-UHFFFAOYSA-N 1 0 405.539 3.929 20 5 HHBDRO COc1c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000474207889 995203070 /nfs/dbraw/zinc/20/30/70/995203070.db2.gz UCAKXSYGYOWEGE-KRWDZBQOSA-N 1 0 403.504 3.868 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000474510566 995471761 /nfs/dbraw/zinc/47/17/61/995471761.db2.gz KBBLREBQBWEVPY-ROUUACIJSA-N 1 0 410.518 3.893 20 5 HHBDRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482495125 995505821 /nfs/dbraw/zinc/50/58/21/995505821.db2.gz HRVJTABNKIOTNY-HUUCEWRRSA-N 1 0 404.488 3.866 20 5 HHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1Oc1ccccc1 ZINC000482500948 995510840 /nfs/dbraw/zinc/51/08/40/995510840.db2.gz AMJVZJZCBIOANV-KJLVNVKXSA-N 1 0 413.474 3.527 20 5 HHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1Oc1ccccc1 ZINC000482500945 995510966 /nfs/dbraw/zinc/51/09/66/995510966.db2.gz AMJVZJZCBIOANV-CNWYBHPASA-N 1 0 413.474 3.527 20 5 HHBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000482629215 995623870 /nfs/dbraw/zinc/62/38/70/995623870.db2.gz KLPHTCGQABGERY-NRFANRHFSA-N 1 0 424.501 3.517 20 5 HHBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000482985044 995901938 /nfs/dbraw/zinc/90/19/38/995901938.db2.gz BPATXYDBNXYEBN-VQTJNVASSA-N 1 0 418.856 3.666 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1SC ZINC000475303836 996057012 /nfs/dbraw/zinc/05/70/12/996057012.db2.gz OOJNVIJBRLNIMS-MRXNPFEDSA-N 1 0 415.515 3.672 20 5 HHBDRO Cc1c(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Br)cc1[N+](=O)[O-] ZINC000483339614 996109156 /nfs/dbraw/zinc/10/91/56/996109156.db2.gz XKNDICDITCRZBY-PBWFPOADSA-N 1 0 411.300 3.755 20 5 HHBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000483374464 996135789 /nfs/dbraw/zinc/13/57/89/996135789.db2.gz AKOVLPFCXQUQID-PKOBYXMFSA-N 1 0 423.604 3.995 20 5 HHBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C[C@H]1[NH+]1CCCC1 ZINC000483407221 996158231 /nfs/dbraw/zinc/15/82/31/996158231.db2.gz RQQZYPSYGWJAOC-SJLPKXTDSA-N 1 0 409.577 3.747 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000483423309 996168649 /nfs/dbraw/zinc/16/86/49/996168649.db2.gz SXSHIFMWARAPHG-OAQYLSRUSA-N 1 0 401.438 3.735 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000475569006 996223888 /nfs/dbraw/zinc/22/38/88/996223888.db2.gz CBZQLKVYQMGHHQ-AEFFLSMTSA-N 1 0 402.422 3.712 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc2[N+](=O)[O-])C1 ZINC000483555393 996247773 /nfs/dbraw/zinc/24/77/73/996247773.db2.gz CKPSUOHSVFFKIS-HNJRGHQBSA-N 1 0 414.550 3.633 20 5 HHBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000475690355 996302605 /nfs/dbraw/zinc/30/26/05/996302605.db2.gz AOHAEYGNFRFQRR-FQEVSTJZSA-N 1 0 418.519 3.530 20 5 HHBDRO NC(=O)c1ccc(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)c([N+](=O)[O-])c1 ZINC000475742457 996340833 /nfs/dbraw/zinc/34/08/33/996340833.db2.gz QHIWPGOJZUEZOT-UHFFFAOYSA-N 1 0 418.291 3.868 20 5 HHBDRO CCOc1cc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])cc1OCC ZINC000483816363 996406642 /nfs/dbraw/zinc/40/66/42/996406642.db2.gz DITYPQZJUUBLRM-UHFFFAOYSA-N 1 0 420.510 3.921 20 5 HHBDRO CS[C@@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000476058826 996572409 /nfs/dbraw/zinc/57/24/09/996572409.db2.gz FINALXPXBZQDMG-NHCUHLMSSA-N 1 0 411.527 3.842 20 5 HHBDRO CSc1cccc(N(C(=O)c2cc([N+](=O)[O-])cnc2C)C2CC[NH+](C)CC2)c1 ZINC000484281610 996676918 /nfs/dbraw/zinc/67/69/18/996676918.db2.gz JHVKLQLZOPOKHF-UHFFFAOYSA-N 1 0 400.504 3.761 20 5 HHBDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000484285810 996679295 /nfs/dbraw/zinc/67/92/95/996679295.db2.gz CJYJIJSIYVFQRV-QRWLVFNGSA-N 1 0 417.531 3.857 20 5 HHBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000484291844 996682826 /nfs/dbraw/zinc/68/28/26/996682826.db2.gz NPGYNKVZMWUAFC-GOEBONIOSA-N 1 0 403.504 3.611 20 5 HHBDRO CCOc1cc(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000484745285 997088511 /nfs/dbraw/zinc/08/85/11/997088511.db2.gz BAVBVCKHFCOEQR-UHFFFAOYSA-N 1 0 415.490 3.772 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000484876146 997241044 /nfs/dbraw/zinc/24/10/44/997241044.db2.gz BLWUGXSADPGXQU-UHFFFAOYSA-N 1 0 405.401 3.544 20 5 HHBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000484920379 997295392 /nfs/dbraw/zinc/29/53/92/997295392.db2.gz XHEYCBPTDUCPEH-QGZVFWFLSA-N 1 0 415.515 3.587 20 5 HHBDRO COCC[N@H+](C)CC[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000485200646 997576531 /nfs/dbraw/zinc/57/65/31/997576531.db2.gz DVLMZDAZFXDPSE-QGZVFWFLSA-N 1 0 423.311 3.874 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000477065688 997711513 /nfs/dbraw/zinc/71/15/13/997711513.db2.gz IKMXMUKYLGMHMH-JMGYQRAPSA-N 1 0 403.504 3.662 20 5 HHBDRO Cc1ccc(S(=O)(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000477120073 997775902 /nfs/dbraw/zinc/77/59/02/997775902.db2.gz LDDFFPOGFFCEET-KRWDZBQOSA-N 1 0 409.552 3.568 20 5 HHBDRO CCOc1ccc(NC(=O)CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000485430185 997868303 /nfs/dbraw/zinc/86/83/03/997868303.db2.gz AGMHUFYCSZGQED-UHFFFAOYSA-N 1 0 413.474 3.866 20 5 HHBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+](C)Cc1ccccc1 ZINC000485749699 998221175 /nfs/dbraw/zinc/22/11/75/998221175.db2.gz ZSPONSZHTCKHIV-AWEZNQCLSA-N 1 0 407.417 3.837 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])c1 ZINC000485831261 998297116 /nfs/dbraw/zinc/29/71/16/998297116.db2.gz GNFTXXAAUSIDPM-NWDGAFQWSA-N 1 0 400.460 3.891 20 5 HHBDRO Cc1c(C[N@@H+](C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000485831042 998297629 /nfs/dbraw/zinc/29/76/29/998297629.db2.gz GSPURYGJSIPMIZ-INIZCTEOSA-N 1 0 403.504 3.636 20 5 HHBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000485944492 998388167 /nfs/dbraw/zinc/38/81/67/998388167.db2.gz XNMBAWJXBNYZML-HNNXBMFYSA-N 1 0 401.457 3.666 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000477933632 998666414 /nfs/dbraw/zinc/66/64/14/998666414.db2.gz TWFGBWTXLIEUSR-MSOLQXFVSA-N 1 0 417.506 3.995 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2cccc(OC(F)(F)F)c2)c(F)c1 ZINC000478172774 998800915 /nfs/dbraw/zinc/80/09/15/998800915.db2.gz IIGNGCMIVWXXOU-CYBMUJFWSA-N 1 0 402.344 3.573 20 5 HHBDRO CSc1cccc(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000486687587 998892755 /nfs/dbraw/zinc/89/27/55/998892755.db2.gz KLBMEUNUVUABIW-IYBDPMFKSA-N 1 0 421.563 3.668 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000486750405 998921998 /nfs/dbraw/zinc/92/19/98/998921998.db2.gz GBEURSYAHHMTQE-ZWKOTPCHSA-N 1 0 411.506 3.507 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)[NH+]1CCCC1 ZINC000478439352 998958861 /nfs/dbraw/zinc/95/88/61/998958861.db2.gz WTHZSJXBNOGSPZ-FQEVSTJZSA-N 1 0 412.490 3.548 20 5 HHBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000487116541 999067459 /nfs/dbraw/zinc/06/74/59/999067459.db2.gz GWXMJLNJCYWECR-UHFFFAOYSA-N 1 0 411.550 3.776 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000487474779 999190774 /nfs/dbraw/zinc/19/07/74/999190774.db2.gz YURRXQHOQCFNNS-SZMVWBNQSA-N 1 0 411.506 3.766 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccccc1 ZINC000478942155 999215150 /nfs/dbraw/zinc/21/51/50/999215150.db2.gz WLJXAAOXMMLKSF-OAQYLSRUSA-N 1 0 407.474 3.593 20 5 HHBDRO Cc1c(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000479320299 999383336 /nfs/dbraw/zinc/38/33/36/999383336.db2.gz NHUVMSBAOAYDRC-APWZRJJASA-N 1 0 402.520 3.847 20 5 HHBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000488129054 999385874 /nfs/dbraw/zinc/38/58/74/999385874.db2.gz TWNCDWJOHUQXEF-UHFFFAOYSA-N 1 0 411.550 3.776 20 5 HHBDRO COc1cccc([C@H]2[C@H](NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000488365260 999459083 /nfs/dbraw/zinc/45/90/83/999459083.db2.gz DRJRVLVSOBIZQB-IRLDBZIGSA-N 1 0 424.501 3.723 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000488507098 999511458 /nfs/dbraw/zinc/51/14/58/999511458.db2.gz VWGTUZBLHVBGTP-GCJKJVERSA-N 1 0 410.518 3.814 20 5 HHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)CC2)n1 ZINC000488771456 999602195 /nfs/dbraw/zinc/60/21/95/999602195.db2.gz VMJRXHDEUWJLKZ-UHFFFAOYSA-N 1 0 402.458 3.943 20 5 HHBDRO CS(=O)(=O)CCCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000479862863 999628908 /nfs/dbraw/zinc/62/89/08/999628908.db2.gz FDOOSZZJKRGZIC-UHFFFAOYSA-N 1 0 400.884 3.813 20 5 HHBDRO COC1CC[NH+](C2(CNC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])CCCC2)CC1 ZINC000488963512 999659047 /nfs/dbraw/zinc/65/90/47/999659047.db2.gz GJQFCVSYWJCHEJ-UHFFFAOYSA-N 1 0 418.538 3.553 20 5 HHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(Br)c4cccnc34)CC2)n1 ZINC000489017565 999673011 /nfs/dbraw/zinc/67/30/11/999673011.db2.gz RYUDBYIBYYPJEU-UHFFFAOYSA-N 1 0 416.279 3.939 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000489036830 999678649 /nfs/dbraw/zinc/67/86/49/999678649.db2.gz NZYABOHVZFXVGR-AYOQOUSVSA-N 1 0 421.563 3.667 20 5 HHBDRO Cc1c(CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000480068667 999707988 /nfs/dbraw/zinc/70/79/88/999707988.db2.gz JEMVPSUOYMGJAJ-UHFFFAOYSA-N 1 0 410.518 3.957 20 5 HHBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CCN(c2ccccn2)CC1 ZINC000489354508 999750654 /nfs/dbraw/zinc/75/06/54/999750654.db2.gz AHNWAHBNCLMBAQ-UHFFFAOYSA-N 1 0 411.506 3.557 20 5 HHBDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000489422169 999764019 /nfs/dbraw/zinc/76/40/19/999764019.db2.gz LFEBYWALRLBGNL-KRWDZBQOSA-N 1 0 411.506 3.555 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H](CO)Cc3ccc(F)c(F)c3)cs2)c1 ZINC000480448261 999801627 /nfs/dbraw/zinc/80/16/27/999801627.db2.gz VPUIKAQYROFXEN-AWEZNQCLSA-N 1 0 419.453 3.937 20 5 HHBDRO COC(=O)c1csc(-c2cccc(C[NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)c2)n1 ZINC000480470056 999806527 /nfs/dbraw/zinc/80/65/27/999806527.db2.gz NDXBGLLKQNQXCS-UHFFFAOYSA-N 1 0 413.455 3.803 20 5 HHBDRO CC(C)Oc1ccc([C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000489946435 999867734 /nfs/dbraw/zinc/86/77/34/999867734.db2.gz LYILLCGUUHDFTP-HXUWFJFHSA-N 1 0 421.444 3.622 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000489992121 999874382 /nfs/dbraw/zinc/87/43/82/999874382.db2.gz XPGMCWDPXXQESA-AWEZNQCLSA-N 1 0 404.854 3.503 20 5 HHBDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000490073823 999889286 /nfs/dbraw/zinc/88/92/86/999889286.db2.gz GSCCJUQIWLFSOQ-SFHVURJKSA-N 1 0 421.881 3.905 20 5 HHBDRO CC1CC[NH+]([C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000490229302 999916141 /nfs/dbraw/zinc/91/61/41/999916141.db2.gz GFGOLLIJDHMPHQ-NRFANRHFSA-N 1 0 411.502 3.953 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491227406 1000056821 /nfs/dbraw/zinc/05/68/21/1000056821.db2.gz CVFMLZLMOQTHMF-INIZCTEOSA-N 1 0 407.417 3.934 20 5 HHBDRO C[NH+](C)CCOc1ccccc1N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000492209753 1000115379 /nfs/dbraw/zinc/11/53/79/1000115379.db2.gz LUYRHKMRPLFGIO-UHFFFAOYSA-N 1 0 418.925 3.511 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000492515857 1000130446 /nfs/dbraw/zinc/13/04/46/1000130446.db2.gz SDCGOMYKTIHFJD-OAHLLOKOSA-N 1 0 418.881 3.893 20 5 HHBDRO COc1ccc(C(=O)NCC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000493156187 1000160579 /nfs/dbraw/zinc/16/05/79/1000160579.db2.gz WZYPZEURDURWMV-QFIPXVFZSA-N 1 0 405.454 3.712 20 5 HHBDRO CC(C)OC(=O)C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000493183178 1000162184 /nfs/dbraw/zinc/16/21/84/1000162184.db2.gz SBXRYZIIPPPKKI-GOSISDBHSA-N 1 0 419.522 3.606 20 5 HHBDRO Cc1ccc(C)c(S(=O)(=O)N(c2ccccc2)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000493281461 1000167276 /nfs/dbraw/zinc/16/72/76/1000167276.db2.gz QAOGLTBQXGADJU-UHFFFAOYSA-N 1 0 403.504 3.501 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000493932441 1000222356 /nfs/dbraw/zinc/22/23/56/1000222356.db2.gz BPMDJZMGNVJZND-FXAWDEMLSA-N 1 0 405.401 3.630 20 5 HHBDRO C[C@H]1[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000494013670 1000267066 /nfs/dbraw/zinc/26/70/66/1000267066.db2.gz AEJAWTNBXUQOPX-FXAWDEMLSA-N 1 0 408.502 3.588 20 5 HHBDRO C[C@@H]1[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000494013675 1000267328 /nfs/dbraw/zinc/26/73/28/1000267328.db2.gz AEJAWTNBXUQOPX-YLJYHZDGSA-N 1 0 408.502 3.588 20 5 HHBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000494070985 1000294962 /nfs/dbraw/zinc/29/49/62/1000294962.db2.gz ZNYVSTBQKYXJEI-QGZVFWFLSA-N 1 0 424.501 3.705 20 5 HHBDRO CCOc1cc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000494258060 1000394254 /nfs/dbraw/zinc/39/42/54/1000394254.db2.gz XBSQGJCSDRHFTN-UZLBHIALSA-N 1 0 403.866 3.709 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1[N+](=O)[O-] ZINC000504894045 1000433008 /nfs/dbraw/zinc/43/30/08/1000433008.db2.gz JPHFFFWGROGVAA-ULQDDVLXSA-N 1 0 414.506 3.853 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000504899802 1000435998 /nfs/dbraw/zinc/43/59/98/1000435998.db2.gz MLFPVYURJKUGNL-KNQAVFIVSA-N 1 0 415.559 3.692 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000504905502 1000439585 /nfs/dbraw/zinc/43/95/85/1000439585.db2.gz JMIZQWIRNRAEBB-GDBMZVCRSA-N 1 0 423.560 3.724 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000504912511 1000444309 /nfs/dbraw/zinc/44/43/09/1000444309.db2.gz WZODEECPNBAPJM-HUUCEWRRSA-N 1 0 421.519 3.656 20 5 HHBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494346518 1000445201 /nfs/dbraw/zinc/44/52/01/1000445201.db2.gz ITIMSPOHCRMNCH-QGZVFWFLSA-N 1 0 424.423 3.586 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000504927826 1000453246 /nfs/dbraw/zinc/45/32/46/1000453246.db2.gz VHDQTOCCXKGONU-CABCVRRESA-N 1 0 421.519 3.656 20 5 HHBDRO O=C(CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000494477613 1000513574 /nfs/dbraw/zinc/51/35/74/1000513574.db2.gz SQABAFDERBKEEK-MJGOQNOKSA-N 1 0 407.829 3.836 20 5 HHBDRO O=C(C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494500686 1000527332 /nfs/dbraw/zinc/52/73/32/1000527332.db2.gz FMCJKCRAGLQLQL-WMZOPIPTSA-N 1 0 410.257 3.960 20 5 HHBDRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494500682 1000527406 /nfs/dbraw/zinc/52/74/06/1000527406.db2.gz FMCJKCRAGLQLQL-AEFFLSMTSA-N 1 0 410.257 3.960 20 5 HHBDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494511717 1000532949 /nfs/dbraw/zinc/53/29/49/1000532949.db2.gz IQYBPWUDUMDYGI-VIFPVBQESA-N 1 0 407.190 3.751 20 5 HHBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)cc2[N+](=O)[O-])C1 ZINC000505117203 1000558672 /nfs/dbraw/zinc/55/86/72/1000558672.db2.gz AJEZNFSOADAUPC-HZPDHXFCSA-N 1 0 420.473 3.910 20 5 HHBDRO C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@@H+]1CCCC[C@H]1C ZINC000494687606 1000604653 /nfs/dbraw/zinc/60/46/53/1000604653.db2.gz FJKXIWWIWMSGKX-CHWSQXEVSA-N 1 0 402.417 3.676 20 5 HHBDRO C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@@H+]1CCCC[C@H]1C ZINC000494687607 1000604702 /nfs/dbraw/zinc/60/47/02/1000604702.db2.gz FJKXIWWIWMSGKX-OLZOCXBDSA-N 1 0 402.417 3.676 20 5 HHBDRO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000494900620 1000720199 /nfs/dbraw/zinc/72/01/99/1000720199.db2.gz AXUBDHPRLMTPPS-AWEZNQCLSA-N 1 0 416.503 3.548 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)cc2[N+](=O)[O-])C1 ZINC000505526495 1000872218 /nfs/dbraw/zinc/87/22/18/1000872218.db2.gz CVQQZJSFHGVADT-IEGUWTFLSA-N 1 0 414.550 3.635 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000495172300 1000900168 /nfs/dbraw/zinc/90/01/68/1000900168.db2.gz JDWJLVOYCIDGOA-ICSRJNTNSA-N 1 0 400.475 3.823 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000505919535 1001101328 /nfs/dbraw/zinc/10/13/28/1001101328.db2.gz SFCCYCARFIGEMH-ROUUACIJSA-N 1 0 411.506 3.507 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000505919800 1001101537 /nfs/dbraw/zinc/10/15/37/1001101537.db2.gz VOCVIFWPKCUSKO-ROUUACIJSA-N 1 0 411.506 3.507 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000496644329 1001209018 /nfs/dbraw/zinc/20/90/18/1001209018.db2.gz TYUBUQOJORPQQC-ICSRJNTNSA-N 1 0 415.515 3.509 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000506153527 1001251797 /nfs/dbraw/zinc/25/17/97/1001251797.db2.gz QLAAVOIHVGFFMD-KRWDZBQOSA-N 1 0 411.506 3.769 20 5 HHBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000506244928 1001302985 /nfs/dbraw/zinc/30/29/85/1001302985.db2.gz FYHPBLBNEBFCMN-INIZCTEOSA-N 1 0 422.279 3.670 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])cc2)C1 ZINC000497535711 1001424796 /nfs/dbraw/zinc/42/47/96/1001424796.db2.gz XMILMGFBALNHPZ-INIZCTEOSA-N 1 0 417.531 3.842 20 5 HHBDRO CCOc1ccc(NC(=O)CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000506473773 1001428956 /nfs/dbraw/zinc/42/89/56/1001428956.db2.gz ZWXOHPAPTAWMOH-MSOLQXFVSA-N 1 0 418.538 3.518 20 5 HHBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)c(OC)c1 ZINC000506640405 1001480013 /nfs/dbraw/zinc/48/00/13/1001480013.db2.gz YWAXXTLDEROXHD-BBRMVZONSA-N 1 0 417.462 3.689 20 5 HHBDRO CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000498144372 1001662359 /nfs/dbraw/zinc/66/23/59/1001662359.db2.gz AXPPVIPWSAIQAC-UHFFFAOYSA-N 1 0 404.470 3.880 20 5 HHBDRO CN1CCO[C@H]([C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000498352935 1001790643 /nfs/dbraw/zinc/79/06/43/1001790643.db2.gz JLYKACSNTWUCMK-QSTNGILNSA-N 1 0 401.894 3.923 20 5 HHBDRO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000498506649 1001929502 /nfs/dbraw/zinc/92/95/02/1001929502.db2.gz QBGJQMILAZOVQX-OAHLLOKOSA-N 1 0 411.930 3.986 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000507262224 1001946356 /nfs/dbraw/zinc/94/63/56/1001946356.db2.gz MFCCNTRWIZVKEX-AWEZNQCLSA-N 1 0 416.453 3.646 20 5 HHBDRO Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc([N+](=O)[O-])c1 ZINC000507279896 1001964615 /nfs/dbraw/zinc/96/46/15/1001964615.db2.gz IDTXYBVBWZQTFK-NRFANRHFSA-N 1 0 423.513 3.562 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000507290385 1001973798 /nfs/dbraw/zinc/97/37/98/1001973798.db2.gz JCDOTPQMNPTONL-MOPGFXCFSA-N 1 0 421.563 3.595 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C[C@H](C)O1 ZINC000507297512 1001980936 /nfs/dbraw/zinc/98/09/36/1001980936.db2.gz BOMVNFRLLRVJRP-GJZGRUSLSA-N 1 0 417.893 3.787 20 5 HHBDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000507635928 1002237159 /nfs/dbraw/zinc/23/71/59/1002237159.db2.gz MEEGXIBFGAXFMJ-UHFFFAOYSA-N 1 0 407.474 3.878 20 5 HHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498935671 1002333538 /nfs/dbraw/zinc/33/35/38/1002333538.db2.gz LRMFGYDMEYUOIO-IUODEOHRSA-N 1 0 409.450 3.581 20 5 HHBDRO COC(=O)C(C)(C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000499222859 1002609383 /nfs/dbraw/zinc/60/93/83/1002609383.db2.gz NTVGWLBLAJIDEP-UHFFFAOYSA-N 1 0 408.458 3.736 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000508345563 1002847055 /nfs/dbraw/zinc/84/70/55/1002847055.db2.gz VSAACTQURQSZJV-CYBMUJFWSA-N 1 0 419.865 3.916 20 5 HHBDRO CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499485911 1002873193 /nfs/dbraw/zinc/87/31/93/1002873193.db2.gz GQMARJYTSSSPKM-UHFFFAOYSA-N 1 0 419.485 3.517 20 5 HHBDRO NC(=O)CC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000508607654 1003062423 /nfs/dbraw/zinc/06/24/23/1003062423.db2.gz BKILCQZIDQPCCV-UHFFFAOYSA-N 1 0 422.279 3.705 20 5 HHBDRO O=C(C[NH2+]C1(c2cccc(Br)c2)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000508631717 1003082276 /nfs/dbraw/zinc/08/22/76/1003082276.db2.gz QZSJALOELXUSNY-UHFFFAOYSA-N 1 0 404.264 3.965 20 5 HHBDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000508645472 1003092909 /nfs/dbraw/zinc/09/29/09/1003092909.db2.gz NLQMARMYQPGTPC-RYUDHWBXSA-N 1 0 422.279 3.703 20 5 HHBDRO CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000499829676 1003164593 /nfs/dbraw/zinc/16/45/93/1003164593.db2.gz UPIOYVSLSRWDIX-SFHVURJKSA-N 1 0 404.470 3.880 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1OC ZINC000499902303 1003235006 /nfs/dbraw/zinc/23/50/06/1003235006.db2.gz XQCGLEOYIRWCNC-QGZVFWFLSA-N 1 0 419.522 3.586 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-])c1ccccn1 ZINC000508858231 1003277978 /nfs/dbraw/zinc/27/79/78/1003277978.db2.gz VOZAXDJJRJSUDY-BEVDRBHNSA-N 1 0 409.490 3.520 20 5 HHBDRO CCC(CC)(CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[NH2+][C@@H](C)c1ccccc1 ZINC000499960436 1003279281 /nfs/dbraw/zinc/27/92/81/1003279281.db2.gz VFYZPEBVPRTUIU-INIZCTEOSA-N 1 0 401.511 3.552 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000500147708 1003504865 /nfs/dbraw/zinc/50/48/65/1003504865.db2.gz ITTXNVSWZWZBHV-SCLBCKFNSA-N 1 0 407.392 3.864 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](CO)Cc3ccc(F)cc3)o2)c([N+](=O)[O-])c1 ZINC000500244339 1003577916 /nfs/dbraw/zinc/57/79/16/1003577916.db2.gz FFMUNPHDFHEMLW-MRXNPFEDSA-N 1 0 400.406 3.696 20 5 HHBDRO Cc1ncsc1CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000509260637 1003661513 /nfs/dbraw/zinc/66/15/13/1003661513.db2.gz SZLORXHAZORXQY-UHFFFAOYSA-N 1 0 400.426 3.743 20 5 HHBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1 ZINC000500394282 1003688783 /nfs/dbraw/zinc/68/87/83/1003688783.db2.gz DSLXDARYTHCGDS-IBGZPJMESA-N 1 0 408.458 3.652 20 5 HHBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC000500404060 1003695541 /nfs/dbraw/zinc/69/55/41/1003695541.db2.gz CCPWLTZEEBYFGT-LJQANCHMSA-N 1 0 403.866 3.824 20 5 HHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000509327338 1003709317 /nfs/dbraw/zinc/70/93/17/1003709317.db2.gz KNMAYMCVZFYYRP-UHFFFAOYSA-N 1 0 410.518 3.963 20 5 HHBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc([N+](=O)[O-])c1 ZINC000511832608 1003807347 /nfs/dbraw/zinc/80/73/47/1003807347.db2.gz QDZQVCVDVXORLN-KRWDZBQOSA-N 1 0 407.392 3.926 20 5 HHBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509390528 1003820096 /nfs/dbraw/zinc/82/00/96/1003820096.db2.gz WWCMVJTXXOHXCJ-UHFFFAOYSA-N 1 0 410.509 3.501 20 5 HHBDRO COC(=O)c1cc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc([N+](=O)[O-])c1 ZINC000500770107 1003946853 /nfs/dbraw/zinc/94/68/53/1003946853.db2.gz BBBGHCBKBBNYSZ-OAHLLOKOSA-N 1 0 411.458 3.866 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cc2)C1 ZINC000500775540 1003949616 /nfs/dbraw/zinc/94/96/16/1003949616.db2.gz BDGYOISJDSDDIM-MRXNPFEDSA-N 1 0 420.473 3.660 20 5 HHBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000512022999 1003961104 /nfs/dbraw/zinc/96/11/04/1003961104.db2.gz DKJBHPYVHGELRX-MRXNPFEDSA-N 1 0 413.474 3.857 20 5 HHBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccco1 ZINC000509596937 1003970280 /nfs/dbraw/zinc/97/02/80/1003970280.db2.gz WEVOIYHQLADQSJ-DNVCBOLYSA-N 1 0 400.479 3.991 20 5 HHBDRO CC[N@@H+]1CCC[C@@H](CN(C)c2ccc([N+](=O)[O-])c3cccnc32)[C@@H]1c1cnn(C)c1 ZINC000509601513 1003972514 /nfs/dbraw/zinc/97/25/14/1003972514.db2.gz PFKAZDALISUSHG-KSFYIVLOSA-N 1 0 408.506 3.786 20 5 HHBDRO COc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509621912 1003986947 /nfs/dbraw/zinc/98/69/47/1003986947.db2.gz VIVPUHROEGJOQD-LEWJYISDSA-N 1 0 411.502 3.899 20 5 HHBDRO C[C@@H]1C[C@H](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000509759784 1004076986 /nfs/dbraw/zinc/07/69/86/1004076986.db2.gz DFSFISIYWMTFOJ-NQIIRXRSSA-N 1 0 410.518 3.737 20 5 HHBDRO C[C@@H]1C[C@@H](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000509759790 1004077625 /nfs/dbraw/zinc/07/76/25/1004077625.db2.gz DFSFISIYWMTFOJ-WIYYLYMNSA-N 1 0 410.518 3.737 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)n2)c1 ZINC000512237156 1004137989 /nfs/dbraw/zinc/13/79/89/1004137989.db2.gz NJEOPKWDMUIQCC-HSZRJFAPSA-N 1 0 419.485 3.743 20 5 HHBDRO O=C(CC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501038898 1004141036 /nfs/dbraw/zinc/14/10/36/1004141036.db2.gz ZKNHIKXELDQKDJ-QGZVFWFLSA-N 1 0 420.473 3.588 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000509874672 1004168930 /nfs/dbraw/zinc/16/89/30/1004168930.db2.gz UTBSXBFUNWWUAH-HNNXBMFYSA-N 1 0 410.312 3.756 20 5 HHBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512294472 1004198109 /nfs/dbraw/zinc/19/81/09/1004198109.db2.gz XWLPHJOBAOBTNA-FDDCHVKYSA-N 1 0 408.502 3.520 20 5 HHBDRO CC(C)C[C@@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000509938109 1004219237 /nfs/dbraw/zinc/21/92/37/1004219237.db2.gz OCHXWBQWAMXPAA-AEFFLSMTSA-N 1 0 413.522 3.869 20 5 HHBDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000512343693 1004231018 /nfs/dbraw/zinc/23/10/18/1004231018.db2.gz QOFFLWPZESBFKM-PXNSSMCTSA-N 1 0 412.446 3.700 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000512588501 1004404465 /nfs/dbraw/zinc/40/44/65/1004404465.db2.gz VXRZJMPKJIDKGJ-QZTJIDSGSA-N 1 0 402.539 3.825 20 5 HHBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000510244675 1004421045 /nfs/dbraw/zinc/42/10/45/1004421045.db2.gz PWZHQELDKKXGFL-UHFFFAOYSA-N 1 0 416.909 3.783 20 5 HHBDRO CCOc1cc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000510412014 1004547687 /nfs/dbraw/zinc/54/76/87/1004547687.db2.gz JMHROAXPZXBJHK-LSDHHAIUSA-N 1 0 408.499 3.634 20 5 HHBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1 ZINC000512850080 1004613090 /nfs/dbraw/zinc/61/30/90/1004613090.db2.gz HWJWAQMZVAPHAA-CYBMUJFWSA-N 1 0 408.451 3.582 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H]2CCOC[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000512893159 1004659804 /nfs/dbraw/zinc/65/98/04/1004659804.db2.gz APJURNLOENJOKH-AEFFLSMTSA-N 1 0 400.475 3.945 20 5 HHBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[NH+](C)C ZINC000510536540 1004669582 /nfs/dbraw/zinc/66/95/82/1004669582.db2.gz GISGZJKLBIKPRK-KKSFZXQISA-N 1 0 407.474 3.510 20 5 HHBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[NH+](C)C ZINC000510538565 1004671485 /nfs/dbraw/zinc/67/14/85/1004671485.db2.gz KUBUCIPQOBXJQZ-IERDGZPVSA-N 1 0 407.474 3.510 20 5 HHBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[NH+](C)C ZINC000510550489 1004685725 /nfs/dbraw/zinc/68/57/25/1004685725.db2.gz NPBIGJJRBUNGHW-KKSFZXQISA-N 1 0 407.474 3.510 20 5 HHBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCC1 ZINC000512996448 1004750853 /nfs/dbraw/zinc/75/08/53/1004750853.db2.gz MGAWVTFAMCABFQ-UHFFFAOYSA-N 1 0 412.895 3.955 20 5 HHBDRO CC(C)c1nc(C2CC[NH+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000513056697 1004782964 /nfs/dbraw/zinc/78/29/64/1004782964.db2.gz KJYIMGYBMJHNQX-UHFFFAOYSA-N 1 0 410.478 3.881 20 5 HHBDRO COc1cc(C[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000513188332 1004851770 /nfs/dbraw/zinc/85/17/70/1004851770.db2.gz OGACPPAZFITRDH-NSHDSACASA-N 1 0 406.389 3.974 20 5 HHBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000510816624 1004870779 /nfs/dbraw/zinc/87/07/79/1004870779.db2.gz VPVAMKICDIFIKT-GOSISDBHSA-N 1 0 402.520 3.901 20 5 HHBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510926368 1004936874 /nfs/dbraw/zinc/93/68/74/1004936874.db2.gz XCNJNMUDFXACED-DZGCQCFKSA-N 1 0 424.339 3.669 20 5 HHBDRO Cn1cc(C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513385594 1004937339 /nfs/dbraw/zinc/93/73/39/1004937339.db2.gz YBYMFOMHRUPLRQ-FQEVSTJZSA-N 1 0 402.458 3.792 20 5 HHBDRO COc1cc(CN2CC[NH+](CC3CC3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513631707 1005057719 /nfs/dbraw/zinc/05/77/19/1005057719.db2.gz GGXBNKUXOPDIFZ-UHFFFAOYSA-N 1 0 411.502 3.710 20 5 HHBDRO C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511251978 1005092024 /nfs/dbraw/zinc/09/20/24/1005092024.db2.gz RJGQJEOOOAQZAC-WMZOPIPTSA-N 1 0 400.523 3.922 20 5 HHBDRO C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511253267 1005092993 /nfs/dbraw/zinc/09/29/93/1005092993.db2.gz NPCMTWCOTZIOMQ-RTBURBONSA-N 1 0 417.553 3.924 20 5 HHBDRO C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511253265 1005093105 /nfs/dbraw/zinc/09/31/05/1005093105.db2.gz NPCMTWCOTZIOMQ-OALUTQOASA-N 1 0 417.553 3.924 20 5 HHBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000513736901 1005103047 /nfs/dbraw/zinc/10/30/47/1005103047.db2.gz OMLJJJMZRGKDIV-KRWDZBQOSA-N 1 0 424.501 3.664 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)cccc1[N+](=O)[O-] ZINC000502528051 1005103843 /nfs/dbraw/zinc/10/38/43/1005103843.db2.gz JYXLRAFTNIVKJW-OAQYLSRUSA-N 1 0 417.893 3.877 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000513740484 1005104639 /nfs/dbraw/zinc/10/46/39/1005104639.db2.gz VSTIJXWFAHSDPF-UHFFFAOYSA-N 1 0 419.428 3.899 20 5 HHBDRO Cn1ccnc1[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000513758672 1005112560 /nfs/dbraw/zinc/11/25/60/1005112560.db2.gz BAPDUHMLQKOBCF-QFIPXVFZSA-N 1 0 405.502 3.803 20 5 HHBDRO C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511295931 1005112662 /nfs/dbraw/zinc/11/26/62/1005112662.db2.gz WXNKFEAMEKEMDG-GJZGRUSLSA-N 1 0 409.914 3.786 20 5 HHBDRO COc1ccc(CSCC(=O)N(CC[NH+](C)C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000511324747 1005124974 /nfs/dbraw/zinc/12/49/74/1005124974.db2.gz XMJDYOPLWXIFBX-UHFFFAOYSA-N 1 0 409.552 3.560 20 5 HHBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000502704676 1005186012 /nfs/dbraw/zinc/18/60/12/1005186012.db2.gz FKPSTQGYYJCRLI-KSSFIOAISA-N 1 0 422.407 3.774 20 5 HHBDRO CCCc1n[nH]c(C(=O)NCC2(CC)CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000514056854 1005246835 /nfs/dbraw/zinc/24/68/35/1005246835.db2.gz NAQLUWNJQPXSCT-UHFFFAOYSA-N 1 0 413.522 3.693 20 5 HHBDRO Cn1ccnc1[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000514088575 1005260416 /nfs/dbraw/zinc/26/04/16/1005260416.db2.gz MFQGOZXCTHBJOZ-JOCHJYFZSA-N 1 0 405.502 3.803 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCCC[C@H]3CN3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000514095315 1005262964 /nfs/dbraw/zinc/26/29/64/1005262964.db2.gz QRDZFOMQMVBBAX-KRWDZBQOSA-N 1 0 415.490 3.550 20 5 HHBDRO Cc1cc(OCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000511756598 1005309224 /nfs/dbraw/zinc/30/92/24/1005309224.db2.gz NHQDXAYQNDZROA-OAQYLSRUSA-N 1 0 411.502 3.699 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cccc1[N+](=O)[O-] ZINC000511783737 1005326210 /nfs/dbraw/zinc/32/62/10/1005326210.db2.gz DEHYGXWSFKWJJK-WOIUINJBSA-N 1 0 409.486 3.736 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000503061230 1005332631 /nfs/dbraw/zinc/33/26/31/1005332631.db2.gz ATJCMPIVCCMCKW-OAHLLOKOSA-N 1 0 400.479 3.532 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503426746 1005416871 /nfs/dbraw/zinc/41/68/71/1005416871.db2.gz AZEOYZVUWNITSV-QGZVFWFLSA-N 1 0 411.506 3.644 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000503453353 1005424791 /nfs/dbraw/zinc/42/47/91/1005424791.db2.gz ONFNRRLLWXHOEJ-SFHVURJKSA-N 1 0 401.438 3.566 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000503453352 1005424842 /nfs/dbraw/zinc/42/48/42/1005424842.db2.gz ONFNRRLLWXHOEJ-GOSISDBHSA-N 1 0 401.438 3.566 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000503906745 1005508983 /nfs/dbraw/zinc/50/89/83/1005508983.db2.gz AITJUEDETHLBJQ-UTKZUKDTSA-N 1 0 420.469 3.505 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000503906744 1005509102 /nfs/dbraw/zinc/50/91/02/1005509102.db2.gz AITJUEDETHLBJQ-LAUBAEHRSA-N 1 0 420.469 3.505 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000534017314 1005987301 /nfs/dbraw/zinc/98/73/01/1005987301.db2.gz GDBAIKDHHWACQI-AXHNFQJDSA-N 1 0 403.866 3.577 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1SC ZINC000534019733 1005991024 /nfs/dbraw/zinc/99/10/24/1005991024.db2.gz LMGISGMVXAUCEF-HNAYVOBHSA-N 1 0 401.488 3.501 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)o2)c1 ZINC000534102057 1006074090 /nfs/dbraw/zinc/07/40/90/1006074090.db2.gz QKRPKKOXYJNYBK-QZTJIDSGSA-N 1 0 403.504 3.779 20 5 HHBDRO COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000514922846 1006206742 /nfs/dbraw/zinc/20/67/42/1006206742.db2.gz CILZGGYMUVCCPL-HNNXBMFYSA-N 1 0 423.469 3.509 20 5 HHBDRO COc1cc(C[NH2+]C[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1O ZINC000534239806 1006245118 /nfs/dbraw/zinc/24/51/18/1006245118.db2.gz GMBZOLYLUSMDDK-ZUOKHONESA-N 1 0 423.872 3.884 20 5 HHBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534247780 1006254060 /nfs/dbraw/zinc/25/40/60/1006254060.db2.gz ABZWSNGUEPCLRY-UHFFFAOYSA-N 1 0 422.529 3.912 20 5 HHBDRO COc1ccc(C[NH2+][C@@H](C)Cc2cc(C)n[nH]2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531759745 1006403210 /nfs/dbraw/zinc/40/32/10/1006403210.db2.gz IZTOCWOFBNCPES-HNNXBMFYSA-N 1 0 410.474 3.935 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[C@H]1c1cccs1 ZINC000531780281 1006420814 /nfs/dbraw/zinc/42/08/14/1006420814.db2.gz KTPBICCSWRTEII-JXFKEZNVSA-N 1 0 414.531 3.807 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000534661099 1006638232 /nfs/dbraw/zinc/63/82/32/1006638232.db2.gz ZYLWNZBZVJWQTJ-KRWDZBQOSA-N 1 0 419.865 3.739 20 5 HHBDRO NC(=O)C1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000538401435 1006669620 /nfs/dbraw/zinc/66/96/20/1006669620.db2.gz AZMQYMVURVRVBU-UHFFFAOYSA-N 1 0 422.279 3.751 20 5 HHBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000538419189 1006687348 /nfs/dbraw/zinc/68/73/48/1006687348.db2.gz DSXRSZPYQHTKLG-IUODEOHRSA-N 1 0 412.895 3.954 20 5 HHBDRO CSc1ccc([C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000515906571 1006751550 /nfs/dbraw/zinc/75/15/50/1006751550.db2.gz WEPVACPRDLXYEJ-GOSISDBHSA-N 1 0 409.458 3.557 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000538498428 1006767376 /nfs/dbraw/zinc/76/73/76/1006767376.db2.gz CFULZQAARRPRDB-QGZVFWFLSA-N 1 0 417.531 3.811 20 5 HHBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000515965507 1006794598 /nfs/dbraw/zinc/79/45/98/1006794598.db2.gz RCCYPROOCJEGLG-NRFANRHFSA-N 1 0 409.486 3.579 20 5 HHBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534847193 1006867236 /nfs/dbraw/zinc/86/72/36/1006867236.db2.gz FNTWGVJMVQNWIL-DOTOQJQBSA-N 1 0 400.479 3.767 20 5 HHBDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000532512064 1006950361 /nfs/dbraw/zinc/95/03/61/1006950361.db2.gz ZTMLDVUFDJLNER-SJLPKXTDSA-N 1 0 414.506 3.809 20 5 HHBDRO CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000532533335 1006968397 /nfs/dbraw/zinc/96/83/97/1006968397.db2.gz MDINRSMUUDBHCB-GCJKJVERSA-N 1 0 410.518 3.715 20 5 HHBDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCC(=O)Nc4ccccc4[N+](=O)[O-])C3)nc2c1 ZINC000534950946 1006993762 /nfs/dbraw/zinc/99/37/62/1006993762.db2.gz CLMWPAIWAIXGHJ-INIZCTEOSA-N 1 0 407.474 3.988 20 5 HHBDRO CCNC(=O)C(C)(C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000532564805 1006996741 /nfs/dbraw/zinc/99/67/41/1006996741.db2.gz OLFCIZJJKYZWFC-UHFFFAOYSA-N 1 0 421.501 3.699 20 5 HHBDRO COc1ccc(-c2ccc(CNc3ccc(N4CC[NH+](C)CC4)nc3)o2)c([N+](=O)[O-])c1 ZINC000532569063 1007000519 /nfs/dbraw/zinc/00/05/19/1007000519.db2.gz RHLISTGBSPUVJZ-UHFFFAOYSA-N 1 0 423.473 3.622 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[NH+]1CCCC1 ZINC000534984933 1007044070 /nfs/dbraw/zinc/04/40/70/1007044070.db2.gz NKRPWTOJSIBWFW-IBGZPJMESA-N 1 0 408.458 3.652 20 5 HHBDRO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000516529671 1007137215 /nfs/dbraw/zinc/13/72/15/1007137215.db2.gz ZQBKTEVBMDSZDD-UHFFFAOYSA-N 1 0 405.458 3.511 20 5 HHBDRO C[NH+]1CCN(C[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)c2ccccc2)CC1 ZINC000538870293 1007148886 /nfs/dbraw/zinc/14/88/86/1007148886.db2.gz URETXTPWMKBUSC-KRWDZBQOSA-N 1 0 406.433 3.597 20 5 HHBDRO CCc1nc2ccccc2n1C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000538955629 1007243140 /nfs/dbraw/zinc/24/31/40/1007243140.db2.gz TWIRDHYWNOKKFW-IBGZPJMESA-N 1 0 424.501 3.584 20 5 HHBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1Br ZINC000532893481 1007272548 /nfs/dbraw/zinc/27/25/48/1007272548.db2.gz MLXKMABUPDSUMW-UHFFFAOYSA-N 1 0 420.263 3.787 20 5 HHBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000538981190 1007274529 /nfs/dbraw/zinc/27/45/29/1007274529.db2.gz NRSQXQFLHBIUES-UHFFFAOYSA-N 1 0 409.490 3.580 20 5 HHBDRO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1cccc(Br)c1 ZINC000535252186 1007304243 /nfs/dbraw/zinc/30/42/43/1007304243.db2.gz NEBZGQWDZHMIAB-UHFFFAOYSA-N 1 0 404.264 3.744 20 5 HHBDRO COc1ccc(NC(=O)CC[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1 ZINC000533059393 1007421513 /nfs/dbraw/zinc/42/15/13/1007421513.db2.gz DYWFRFSLDFPQBB-UHFFFAOYSA-N 1 0 423.473 3.688 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000533059776 1007422429 /nfs/dbraw/zinc/42/24/29/1007422429.db2.gz JZACGWQAPNGMET-UHFFFAOYSA-N 1 0 423.473 3.688 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCC1 ZINC000535371290 1007431971 /nfs/dbraw/zinc/43/19/71/1007431971.db2.gz RVFKGLAKPZDADN-OAQYLSRUSA-N 1 0 422.485 3.581 20 5 HHBDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCC(=O)Nc4ccc([N+](=O)[O-])cc4)C3)nc2c1 ZINC000539219878 1007511399 /nfs/dbraw/zinc/51/13/99/1007511399.db2.gz UTTXNGGPHDKKMM-INIZCTEOSA-N 1 0 407.474 3.988 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000539241732 1007534963 /nfs/dbraw/zinc/53/49/63/1007534963.db2.gz ICDTYEIXNZTMPV-UHFFFAOYSA-N 1 0 411.458 3.672 20 5 HHBDRO CCCOc1ccc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000539252813 1007545741 /nfs/dbraw/zinc/54/57/41/1007545741.db2.gz OGRBIBJHYTWBFM-HNNXBMFYSA-N 1 0 401.463 3.706 20 5 HHBDRO COc1ccc(NC(=O)CCN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000533271751 1007586712 /nfs/dbraw/zinc/58/67/12/1007586712.db2.gz UQAWOBVJNUPACO-SFHVURJKSA-N 1 0 418.538 3.520 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000539297196 1007595257 /nfs/dbraw/zinc/59/52/57/1007595257.db2.gz HNXQMSGHYPQHJY-IIBYNOLFSA-N 1 0 412.490 3.801 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000533291160 1007604219 /nfs/dbraw/zinc/60/42/19/1007604219.db2.gz GITYFPNPFXMCPR-HXUWFJFHSA-N 1 0 412.490 3.835 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000533296283 1007611764 /nfs/dbraw/zinc/61/17/64/1007611764.db2.gz ZHTYPOUOALBMKN-IBGZPJMESA-N 1 0 410.518 3.828 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1C(F)(F)F ZINC000539344123 1007645706 /nfs/dbraw/zinc/64/57/06/1007645706.db2.gz XFKQFCJOITYTHU-JTQLQIEISA-N 1 0 411.336 3.632 20 5 HHBDRO COc1ccc(NC(=O)CC[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1 ZINC000533344223 1007652244 /nfs/dbraw/zinc/65/22/44/1007652244.db2.gz VIFGQJWOYBRYOK-UHFFFAOYSA-N 1 0 421.457 3.598 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000539365357 1007668396 /nfs/dbraw/zinc/66/83/96/1007668396.db2.gz QKFMEWAJPJXMHE-CQSZACIVSA-N 1 0 411.437 3.542 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000539373591 1007677691 /nfs/dbraw/zinc/67/76/91/1007677691.db2.gz PNUUSACTHPQQBD-UHFFFAOYSA-N 1 0 417.531 3.966 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535670121 1007688617 /nfs/dbraw/zinc/68/86/17/1007688617.db2.gz AGLNGQVULOVQLD-FOIQADDNSA-N 1 0 405.857 3.739 20 5 HHBDRO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000533413274 1007719709 /nfs/dbraw/zinc/71/97/09/1007719709.db2.gz UXZIJIDRNBAINK-UHFFFAOYSA-N 1 0 421.501 3.989 20 5 HHBDRO CSc1ccc(C(=O)c2ccccc2C(=O)N(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000539417978 1007725092 /nfs/dbraw/zinc/72/50/92/1007725092.db2.gz HYUJBUYFWNFDEI-UHFFFAOYSA-N 1 0 415.515 3.571 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000533428406 1007737902 /nfs/dbraw/zinc/73/79/02/1007737902.db2.gz OSWSBZOMXOZDNB-UHFFFAOYSA-N 1 0 419.522 3.993 20 5 HHBDRO COc1cccc(NC2CC[NH+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000533447927 1007763719 /nfs/dbraw/zinc/76/37/19/1007763719.db2.gz AAFBAVNSBAHCLN-UHFFFAOYSA-N 1 0 412.490 3.817 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000517547979 1007763737 /nfs/dbraw/zinc/76/37/37/1007763737.db2.gz GIFMUWACIBSHSL-WIYYLYMNSA-N 1 0 416.909 3.920 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539491772 1007803578 /nfs/dbraw/zinc/80/35/78/1007803578.db2.gz BUXULXIIJOAPEJ-QFIPXVFZSA-N 1 0 411.458 3.744 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000517601961 1007805296 /nfs/dbraw/zinc/80/52/96/1007805296.db2.gz MVZZRTHWUZJZEA-IBGZPJMESA-N 1 0 414.531 3.595 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2(c3cccc(Br)c3)CCC2)c1 ZINC000533507499 1007823152 /nfs/dbraw/zinc/82/31/52/1007823152.db2.gz YUQYPLRKOZPBPZ-QGZVFWFLSA-N 1 0 421.291 3.766 20 5 HHBDRO COc1ccc(OC)c(CCC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000539565047 1007881042 /nfs/dbraw/zinc/88/10/42/1007881042.db2.gz JQRHNDGVSFERLH-UHFFFAOYSA-N 1 0 410.474 3.735 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+]CC3CCS(=O)(=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000535959451 1007996274 /nfs/dbraw/zinc/99/62/74/1007996274.db2.gz MHGUMJMEGFNAQN-UHFFFAOYSA-N 1 0 420.556 3.969 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000539828147 1008122026 /nfs/dbraw/zinc/12/20/26/1008122026.db2.gz CBPZTLWDKKLHSL-MRXNPFEDSA-N 1 0 413.474 3.698 20 5 HHBDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533804695 1008122426 /nfs/dbraw/zinc/12/24/26/1008122426.db2.gz DFNRVULPQMNSQU-UHFFFAOYSA-N 1 0 414.531 3.636 20 5 HHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)CC2)cc1 ZINC000539838109 1008129957 /nfs/dbraw/zinc/12/99/57/1008129957.db2.gz JLCLSBFZLQUSMW-UHFFFAOYSA-N 1 0 422.441 3.757 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000539842815 1008134119 /nfs/dbraw/zinc/13/41/19/1008134119.db2.gz AYCXDPFIOIRPHN-UHFFFAOYSA-N 1 0 424.545 3.852 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539898211 1008171252 /nfs/dbraw/zinc/17/12/52/1008171252.db2.gz NGLZCXZDJVNZQE-KBPBESRZSA-N 1 0 418.412 3.793 20 5 HHBDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1Cl ZINC000533940088 1008220928 /nfs/dbraw/zinc/22/09/28/1008220928.db2.gz BNIGKXFNEYOBBH-UHFFFAOYSA-N 1 0 416.865 3.851 20 5 HHBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000518353085 1008273124 /nfs/dbraw/zinc/27/31/24/1008273124.db2.gz GCMMYOFLWNSNKW-LJQANCHMSA-N 1 0 421.501 3.582 20 5 HHBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000540079615 1008276030 /nfs/dbraw/zinc/27/60/30/1008276030.db2.gz ANABDTPDQFVLKG-UHFFFAOYSA-N 1 0 409.490 3.580 20 5 HHBDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000540166261 1008319076 /nfs/dbraw/zinc/31/90/76/1008319076.db2.gz RJCXEOPBSXGVRC-KRWDZBQOSA-N 1 0 419.547 3.534 20 5 HHBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000540180374 1008325164 /nfs/dbraw/zinc/32/51/64/1008325164.db2.gz BADDZRKICLJEPE-KRWDZBQOSA-N 1 0 417.531 3.808 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000540182409 1008326411 /nfs/dbraw/zinc/32/64/11/1008326411.db2.gz PXEKUFZINGOFJM-CYBMUJFWSA-N 1 0 406.280 3.746 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[NH+](CC(C)C)CC2)cc1 ZINC000518635761 1008373868 /nfs/dbraw/zinc/37/38/68/1008373868.db2.gz ADXZHJUSWMXKKM-UHFFFAOYSA-N 1 0 413.474 3.810 20 5 HHBDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(OC(F)F)cc1 ZINC000540320280 1008378638 /nfs/dbraw/zinc/37/86/38/1008378638.db2.gz IEBSYOURBFMHTR-LBPRGKRZSA-N 1 0 407.373 3.845 20 5 HHBDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000540332170 1008384073 /nfs/dbraw/zinc/38/40/73/1008384073.db2.gz AAOPWYRUELNNKP-LLVKDONJSA-N 1 0 408.252 3.655 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cccc1[N+](=O)[O-] ZINC000540354056 1008395535 /nfs/dbraw/zinc/39/55/35/1008395535.db2.gz IIFPOSSLLUEWDI-OAHLLOKOSA-N 1 0 410.474 3.931 20 5 HHBDRO COc1ccc([C@H](Cc2ccccc2C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000540376680 1008405987 /nfs/dbraw/zinc/40/59/87/1008405987.db2.gz QUCUQCUARVCYQT-IBGZPJMESA-N 1 0 410.474 3.691 20 5 HHBDRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000540381862 1008408904 /nfs/dbraw/zinc/40/89/04/1008408904.db2.gz YDDZXZYTWAUGOX-YWZLYKJASA-N 1 0 413.474 3.626 20 5 HHBDRO C[C@H]1CN([C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)c2c(F)cccc2Cl)CCO1 ZINC000518765659 1008416609 /nfs/dbraw/zinc/41/66/09/1008416609.db2.gz VFYLHJFZZVNSJG-IFXJQAMLSA-N 1 0 407.873 3.939 20 5 HHBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000540466719 1008442248 /nfs/dbraw/zinc/44/22/48/1008442248.db2.gz HACFMPMEYIVVJJ-KGLIPLIRSA-N 1 0 411.437 3.906 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000518857821 1008448589 /nfs/dbraw/zinc/44/85/89/1008448589.db2.gz BYXRHGOKPHFETB-ZDUSSCGKSA-N 1 0 407.854 3.595 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000518876728 1008456172 /nfs/dbraw/zinc/45/61/72/1008456172.db2.gz ZGCLPWRJFQDYTG-XJKSGUPXSA-N 1 0 407.854 3.562 20 5 HHBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000549071458 1008636451 /nfs/dbraw/zinc/63/64/51/1008636451.db2.gz ZHEXWJYXHQVEHY-GOSISDBHSA-N 1 0 412.538 3.966 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000543138165 1008710493 /nfs/dbraw/zinc/71/04/93/1008710493.db2.gz CENOFNVIRUELLS-INIZCTEOSA-N 1 0 421.291 3.766 20 5 HHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000549175112 1008747939 /nfs/dbraw/zinc/74/79/39/1008747939.db2.gz ZSXCOQCCNSJCKJ-FQEVSTJZSA-N 1 0 403.429 3.539 20 5 HHBDRO C[NH+](C)C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000549229614 1008800073 /nfs/dbraw/zinc/80/00/73/1008800073.db2.gz AKTJAELENYHVOK-LJQANCHMSA-N 1 0 404.898 3.859 20 5 HHBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1CC[NH+](Cc2ccccn2)CC1 ZINC000543255862 1008824576 /nfs/dbraw/zinc/82/45/76/1008824576.db2.gz GNEUQPQRCOZUGS-UHFFFAOYSA-N 1 0 420.922 3.516 20 5 HHBDRO CC(C)n1c(Sc2ccc([N+](=O)[O-])c(OC(F)F)c2)nnc1C1CC[NH2+]CC1 ZINC000519544128 1008897394 /nfs/dbraw/zinc/89/73/94/1008897394.db2.gz JMFGHXPTGPFBPI-UHFFFAOYSA-N 1 0 413.450 3.987 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000549421035 1009009837 /nfs/dbraw/zinc/00/98/37/1009009837.db2.gz MMJQLODBPKNPFJ-OAHLLOKOSA-N 1 0 403.504 3.697 20 5 HHBDRO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543550091 1009152743 /nfs/dbraw/zinc/15/27/43/1009152743.db2.gz GDZYGHSAPQHXMM-CABCVRRESA-N 1 0 405.495 3.927 20 5 HHBDRO C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543550094 1009152857 /nfs/dbraw/zinc/15/28/57/1009152857.db2.gz GDZYGHSAPQHXMM-LSDHHAIUSA-N 1 0 405.495 3.927 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000543590484 1009197151 /nfs/dbraw/zinc/19/71/51/1009197151.db2.gz YVGVXYIZIPZRGF-QFBILLFUSA-N 1 0 414.481 3.746 20 5 HHBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2ccncc2)c1 ZINC000543592985 1009198683 /nfs/dbraw/zinc/19/86/83/1009198683.db2.gz AAHJZOPQDMTJRW-INIZCTEOSA-N 1 0 411.483 3.781 20 5 HHBDRO C[N@@H+]1CCC[C@@]2(CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C2)C1 ZINC000549576886 1009200563 /nfs/dbraw/zinc/20/05/63/1009200563.db2.gz GOFDRGXSQCJYFQ-GOSISDBHSA-N 1 0 405.296 3.828 20 5 HHBDRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543599151 1009204002 /nfs/dbraw/zinc/20/40/02/1009204002.db2.gz QIYOJSUCOVQGLS-KGLIPLIRSA-N 1 0 419.528 3.760 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[NH+](C)C)cc1 ZINC000520065090 1009227199 /nfs/dbraw/zinc/22/71/99/1009227199.db2.gz ATHCNVKXJUVHBB-QFIPXVFZSA-N 1 0 410.518 3.539 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000543635218 1009239881 /nfs/dbraw/zinc/23/98/81/1009239881.db2.gz OCBNCJFKTNWSQZ-QHCPKHFHSA-N 1 0 403.482 3.921 20 5 HHBDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3F)CC[N@@H+]2C2CC2)c1 ZINC000543640920 1009245354 /nfs/dbraw/zinc/24/53/54/1009245354.db2.gz ACZQHBFSLJHNOI-PMACEKPBSA-N 1 0 414.437 3.842 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000520112192 1009267866 /nfs/dbraw/zinc/26/78/66/1009267866.db2.gz LKHAKFKQTSNCKF-HDICACEKSA-N 1 0 410.518 3.801 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000520150705 1009301576 /nfs/dbraw/zinc/30/15/76/1009301576.db2.gz AMZRMPKMPXKUKN-QRVBRYPASA-N 1 0 416.566 3.927 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000543748893 1009327886 /nfs/dbraw/zinc/32/78/86/1009327886.db2.gz HUZMSNOJVYHRCY-APWZRJJASA-N 1 0 400.475 3.775 20 5 HHBDRO C[C@H](Cn1ccnc1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000520207895 1009342467 /nfs/dbraw/zinc/34/24/67/1009342467.db2.gz PVUWPLIWYDBYRZ-GFCCVEGCSA-N 1 0 405.252 3.992 20 5 HHBDRO COc1cc(C[NH2+]C[C@]2(O)CCCC2(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000549861651 1009481130 /nfs/dbraw/zinc/48/11/30/1009481130.db2.gz XPGJCQZTODAPNF-QGZVFWFLSA-N 1 0 406.401 3.575 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N(C)[C@@H]3C[NH+]4CCC3CC4)cc2[N+](=O)[O-])n1 ZINC000520371484 1009507976 /nfs/dbraw/zinc/50/79/76/1009507976.db2.gz TXLUYKASRIQGSV-MRXNPFEDSA-N 1 0 418.544 3.677 20 5 HHBDRO CC(C)Oc1ccc([C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[NH+](C)C)cc1 ZINC000520449758 1009562551 /nfs/dbraw/zinc/56/25/51/1009562551.db2.gz UPFGRQWDGGHZDX-FQEVSTJZSA-N 1 0 410.474 3.896 20 5 HHBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cc3cccc([N+](=O)[O-])c3[nH]1)c1ccccc1O2 ZINC000520497647 1009593916 /nfs/dbraw/zinc/59/39/16/1009593916.db2.gz SWICPRWHSUKJRZ-GOSISDBHSA-N 1 0 420.469 3.794 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000544086941 1009695299 /nfs/dbraw/zinc/69/52/99/1009695299.db2.gz PBFOSIPUXIVWSL-YPGOJHLTSA-N 1 0 413.543 3.960 20 5 HHBDRO O=C1[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCN1Cc1ccccn1 ZINC000544182954 1009786363 /nfs/dbraw/zinc/78/63/63/1009786363.db2.gz IAGGLYZDJXXITF-FQEVSTJZSA-N 1 0 422.510 3.999 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000550239579 1009797407 /nfs/dbraw/zinc/79/74/07/1009797407.db2.gz WBHLGSNZCCBEFH-JTSKRJEESA-N 1 0 405.539 3.946 20 5 HHBDRO COc1cc(-c2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)ccc1OCC[NH+](C)C ZINC000546989650 1009947400 /nfs/dbraw/zinc/94/74/00/1009947400.db2.gz TVEBSNLTLVQJQJ-WDZFZDKYSA-N 1 0 410.430 3.764 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000520990416 1010030037 /nfs/dbraw/zinc/03/00/37/1010030037.db2.gz MOGXABMYCLORSA-AWEZNQCLSA-N 1 0 423.872 3.745 20 5 HHBDRO CCNc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000521078380 1010095533 /nfs/dbraw/zinc/09/55/33/1010095533.db2.gz XYKVBFLJNNLOGT-IHWFROFDSA-N 1 0 408.502 3.952 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000550699159 1010110069 /nfs/dbraw/zinc/11/00/69/1010110069.db2.gz OUTNEJFJPXKPJA-QZTJIDSGSA-N 1 0 418.291 3.841 20 5 HHBDRO CCC(CC)(CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000521118673 1010140085 /nfs/dbraw/zinc/14/00/85/1010140085.db2.gz IMPXENRYKRYDEI-OAHLLOKOSA-N 1 0 420.535 3.564 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCSc3c(Cl)cccc32)cc1 ZINC000544573411 1010202603 /nfs/dbraw/zinc/20/26/03/1010202603.db2.gz PXIRPFVJWXMWDL-MRXNPFEDSA-N 1 0 412.920 3.849 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000544574207 1010203320 /nfs/dbraw/zinc/20/33/20/1010203320.db2.gz NFUJBDVMGPOOSU-QGZVFWFLSA-N 1 0 410.879 3.525 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000544575389 1010203825 /nfs/dbraw/zinc/20/38/25/1010203825.db2.gz GWZONNFNEQMBLE-GHTZIAJQSA-N 1 0 418.515 3.787 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000544660129 1010280953 /nfs/dbraw/zinc/28/09/53/1010280953.db2.gz ALKCHWTZPKMJHX-KRWDZBQOSA-N 1 0 417.531 3.716 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000544745886 1010350236 /nfs/dbraw/zinc/35/02/36/1010350236.db2.gz IUVDRIUBMUYFCD-YLJYHZDGSA-N 1 0 417.531 3.582 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000521614926 1010506407 /nfs/dbraw/zinc/50/64/07/1010506407.db2.gz HDWKPZLDFREKQT-UHFFFAOYSA-N 1 0 417.893 3.899 20 5 HHBDRO C[NH+]1CCN(c2ccccc2-c2noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n2)CC1 ZINC000544957809 1010520058 /nfs/dbraw/zinc/52/00/58/1010520058.db2.gz IHVPBURDDNQVKU-UHFFFAOYSA-N 1 0 405.414 3.810 20 5 HHBDRO CCCOc1cc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1OCCC ZINC000548196374 1010558955 /nfs/dbraw/zinc/55/89/55/1010558955.db2.gz ZHOAPAYUHSJRMU-HNNXBMFYSA-N 1 0 408.499 3.588 20 5 HHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000551410894 1010569176 /nfs/dbraw/zinc/56/91/76/1010569176.db2.gz ILUGYHCWPXWCRD-OXQOHEQNSA-N 1 0 407.474 3.565 20 5 HHBDRO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000548394840 1010612050 /nfs/dbraw/zinc/61/20/50/1010612050.db2.gz PWCJETWHLBUZPH-MSOLQXFVSA-N 1 0 407.470 3.724 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000521788653 1010618990 /nfs/dbraw/zinc/61/89/90/1010618990.db2.gz ILVUOZUMEZYCFD-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO COc1cc(C[NH+]2CCC(C3CCOCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000548773029 1010727412 /nfs/dbraw/zinc/72/74/12/1010727412.db2.gz SMZVHVZKUFEVEG-UHFFFAOYSA-N 1 0 414.449 3.886 20 5 HHBDRO Cc1ccc(C(C)(C)[NH2+]CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cn1 ZINC000545398423 1010772535 /nfs/dbraw/zinc/77/25/35/1010772535.db2.gz NSPCCEAZUKOUMV-UHFFFAOYSA-N 1 0 411.487 3.885 20 5 HHBDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)ccc21 ZINC000522214120 1010869717 /nfs/dbraw/zinc/86/97/17/1010869717.db2.gz UHOMGOQNHURECF-UHFFFAOYSA-N 1 0 424.457 3.872 20 5 HHBDRO Cn1ccnc1C(=O)c1ccc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000522284951 1010906456 /nfs/dbraw/zinc/90/64/56/1010906456.db2.gz IMGCTGHLNADWBR-LJQANCHMSA-N 1 0 419.485 3.636 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000540617565 1011269155 /nfs/dbraw/zinc/26/91/55/1011269155.db2.gz NCYHJHPRTCXJFA-LJQANCHMSA-N 1 0 403.523 3.643 20 5 HHBDRO Cc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(O[C@H]2CCOC2)c1 ZINC000540624611 1011275163 /nfs/dbraw/zinc/27/51/63/1011275163.db2.gz JEAYKEKAUINUKB-NRFANRHFSA-N 1 0 422.485 3.761 20 5 HHBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000522884166 1011329955 /nfs/dbraw/zinc/32/99/55/1011329955.db2.gz QITDCNCYNCYSIG-LLVKDONJSA-N 1 0 414.293 3.547 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000536234593 1011383770 /nfs/dbraw/zinc/38/37/70/1011383770.db2.gz RTFPPEWJSMEGAD-UHFFFAOYSA-N 1 0 404.898 3.564 20 5 HHBDRO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000536349796 1011556773 /nfs/dbraw/zinc/55/67/73/1011556773.db2.gz QYDYCAJETQCGOD-WMZOPIPTSA-N 1 0 418.291 3.841 20 5 HHBDRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cc2ccccc2c2cccnc12 ZINC000536351087 1011557538 /nfs/dbraw/zinc/55/75/38/1011557538.db2.gz PEHSTKLBUBHJSZ-NHCUHLMSSA-N 1 0 411.505 3.753 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)ccc1Oc1ccc(F)cc1 ZINC000536397365 1011604604 /nfs/dbraw/zinc/60/46/04/1011604604.db2.gz WPZPNNMUOFUOAI-LAUBAEHRSA-N 1 0 402.422 3.954 20 5 HHBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000523162894 1011644651 /nfs/dbraw/zinc/64/46/51/1011644651.db2.gz BYCKKQJWHQLHCW-CQSZACIVSA-N 1 0 415.412 3.626 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541021870 1011655472 /nfs/dbraw/zinc/65/54/72/1011655472.db2.gz QUPDBKNOSBCPGG-QGZVFWFLSA-N 1 0 411.380 3.574 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1ccccc1Cl ZINC000523223946 1011712791 /nfs/dbraw/zinc/71/27/91/1011712791.db2.gz CMZHHKLDIDLQPV-GOSISDBHSA-N 1 0 421.929 3.651 20 5 HHBDRO CNC(=O)CCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000536667296 1011820640 /nfs/dbraw/zinc/82/06/40/1011820640.db2.gz ZXLHVXAPKPFVES-UHFFFAOYSA-N 1 0 410.268 3.575 20 5 HHBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000523354722 1011834486 /nfs/dbraw/zinc/83/44/86/1011834486.db2.gz ZTANRWMAWWGRPR-ZDUSSCGKSA-N 1 0 415.437 3.589 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000536689266 1011855824 /nfs/dbraw/zinc/85/58/24/1011855824.db2.gz YQKFMKOICYJGOD-UHFFFAOYSA-N 1 0 424.501 3.598 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000536754915 1011945701 /nfs/dbraw/zinc/94/57/01/1011945701.db2.gz DFURRRPNVMJXAM-HXUWFJFHSA-N 1 0 420.469 3.698 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cc1[N+](=O)[O-] ZINC000551811811 1011969584 /nfs/dbraw/zinc/96/95/84/1011969584.db2.gz HCHQVFDINMQVTK-CMJOXMDJSA-N 1 0 422.485 3.979 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000523528003 1012055205 /nfs/dbraw/zinc/05/52/05/1012055205.db2.gz CUPQGPVLGDVXNB-OAHLLOKOSA-N 1 0 410.268 3.763 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000552061779 1012079622 /nfs/dbraw/zinc/07/96/22/1012079622.db2.gz ZZNJRTLMUBTSCS-HTAPYJJXSA-N 1 0 420.517 3.628 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000536867443 1012104614 /nfs/dbraw/zinc/10/46/14/1012104614.db2.gz CECCRGLNPRSMCB-CQSZACIVSA-N 1 0 420.307 3.698 20 5 HHBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000536873172 1012113824 /nfs/dbraw/zinc/11/38/24/1012113824.db2.gz ZYXZEQLYLULBEZ-YVEFUNNKSA-N 1 0 409.364 3.950 20 5 HHBDRO C[C@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000552240457 1012250754 /nfs/dbraw/zinc/25/07/54/1012250754.db2.gz ZYGLUAWLXPTMEX-CQSZACIVSA-N 1 0 404.898 3.788 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(CC[NH+](C)C)C3CCCC3)cc2[N+](=O)[O-])C1 ZINC000523663580 1012258149 /nfs/dbraw/zinc/25/81/49/1012258149.db2.gz LBIPKEQVBIGMBV-QGZVFWFLSA-N 1 0 402.539 3.778 20 5 HHBDRO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000552325920 1012334780 /nfs/dbraw/zinc/33/47/80/1012334780.db2.gz DFVTVDPRXUDNAX-FQEVSTJZSA-N 1 0 415.440 3.637 20 5 HHBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000552334422 1012345938 /nfs/dbraw/zinc/34/59/38/1012345938.db2.gz KLHYDRAZWSJMKF-XMMPIXPASA-N 1 0 420.513 3.907 20 5 HHBDRO COc1ccc([C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C(C)C)cc1 ZINC000537042488 1012363419 /nfs/dbraw/zinc/36/34/19/1012363419.db2.gz QPTBOKXNPMEKJB-NRFANRHFSA-N 1 0 401.463 3.928 20 5 HHBDRO COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])c(C)c1Br)[NH+](C)C ZINC000541578860 1012369153 /nfs/dbraw/zinc/36/91/53/1012369153.db2.gz WEAZAPSGNYYJKR-AWEZNQCLSA-N 1 0 409.284 3.784 20 5 HHBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000537061180 1012396723 /nfs/dbraw/zinc/39/67/23/1012396723.db2.gz GQWUSNWFCCZDAC-SCLBCKFNSA-N 1 0 423.391 3.992 20 5 HHBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000541602917 1012400075 /nfs/dbraw/zinc/40/00/75/1012400075.db2.gz ZVIDKQVILCTAKD-NSHDSACASA-N 1 0 413.400 3.650 20 5 HHBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000541603465 1012400481 /nfs/dbraw/zinc/40/04/81/1012400481.db2.gz OGPOREXNFYWAGC-LLVKDONJSA-N 1 0 413.400 3.650 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000537066890 1012405651 /nfs/dbraw/zinc/40/56/51/1012405651.db2.gz RTFBQPNHNPHXKE-OAHLLOKOSA-N 1 0 401.463 3.990 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000537086759 1012439970 /nfs/dbraw/zinc/43/99/70/1012439970.db2.gz KVPUKMCUQYOACV-CQSZACIVSA-N 1 0 417.462 3.608 20 5 HHBDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ncc(-c2ccccc2)o1 ZINC000541643277 1012463573 /nfs/dbraw/zinc/46/35/73/1012463573.db2.gz YKLSAOGFOSLKMY-AWEZNQCLSA-N 1 0 408.414 3.899 20 5 HHBDRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)oc21 ZINC000541657736 1012483475 /nfs/dbraw/zinc/48/34/75/1012483475.db2.gz NOFXBENRWUIVIY-CQSZACIVSA-N 1 0 409.442 3.980 20 5 HHBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1-c1ccc(Cl)cc1 ZINC000537114626 1012489320 /nfs/dbraw/zinc/48/93/20/1012489320.db2.gz AVFPOJIMQUBICT-KBXCAEBGSA-N 1 0 400.866 3.823 20 5 HHBDRO C[N@H+](CCc1cccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1)C1CC1 ZINC000537128113 1012513396 /nfs/dbraw/zinc/51/33/96/1012513396.db2.gz UOPWUZJONCZSQD-UHFFFAOYSA-N 1 0 405.458 3.670 20 5 HHBDRO COc1cc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000552488836 1012513816 /nfs/dbraw/zinc/51/38/16/1012513816.db2.gz MIWMTRHCKDRXDV-PXNSSMCTSA-N 1 0 400.475 3.775 20 5 HHBDRO CCOC(=O)c1cc(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)cc([N+](=O)[O-])c1 ZINC000537131609 1012515885 /nfs/dbraw/zinc/51/58/85/1012515885.db2.gz QWZWDYCLXRWRJK-UHFFFAOYSA-N 1 0 411.458 3.661 20 5 HHBDRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccccc3[N+](=O)[O-])cc2)C[C@H]1C ZINC000537144014 1012535946 /nfs/dbraw/zinc/53/59/46/1012535946.db2.gz BAICUVABMDRFCN-QZTJIDSGSA-N 1 0 411.502 3.534 20 5 HHBDRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000523864331 1012560593 /nfs/dbraw/zinc/56/05/93/1012560593.db2.gz NAAPEGYKKURYPD-CQSZACIVSA-N 1 0 423.922 3.752 20 5 HHBDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000541742924 1012600176 /nfs/dbraw/zinc/60/01/76/1012600176.db2.gz VPVOGHNAQIOHNU-RTWAWAEBSA-N 1 0 402.516 3.820 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000541771386 1012637493 /nfs/dbraw/zinc/63/74/93/1012637493.db2.gz MUTYRSUSDBCWCH-HNNXBMFYSA-N 1 0 423.469 3.718 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cccc1[N+](=O)[O-] ZINC000537290483 1012749372 /nfs/dbraw/zinc/74/93/72/1012749372.db2.gz JYGLPKWDLVSJQM-QKKBWIMNSA-N 1 0 411.458 3.742 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cccc1[N+](=O)[O-] ZINC000537290472 1012749972 /nfs/dbraw/zinc/74/99/72/1012749972.db2.gz JYGLPKWDLVSJQM-LHSJRXKWSA-N 1 0 411.458 3.742 20 5 HHBDRO C[N@H+](CCN(Cc1ccccc1)C(=O)Nc1ccncc1[N+](=O)[O-])Cc1ccccc1 ZINC000541908324 1012768016 /nfs/dbraw/zinc/76/80/16/1012768016.db2.gz FPLXWGMSNMSXDG-UHFFFAOYSA-N 1 0 419.485 3.578 20 5 HHBDRO Cc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1OCC[NH+]1CCCC1 ZINC000524053229 1012807089 /nfs/dbraw/zinc/80/70/89/1012807089.db2.gz XKMBGBFPYJCSLV-UHFFFAOYSA-N 1 0 412.490 3.819 20 5 HHBDRO COc1ccc(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000542036260 1012936623 /nfs/dbraw/zinc/93/66/23/1012936623.db2.gz KOPKHLJHQCTNAI-UHFFFAOYSA-N 1 0 412.490 3.979 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000542057093 1012971303 /nfs/dbraw/zinc/97/13/03/1012971303.db2.gz JSDUIEFFOJONQP-UHFFFAOYSA-N 1 0 406.527 3.647 20 5 HHBDRO CCC[N@H+](C)[C@@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553016729 1012990429 /nfs/dbraw/zinc/99/04/29/1012990429.db2.gz FHEYRXWNGVLIGP-HNNXBMFYSA-N 1 0 407.902 3.908 20 5 HHBDRO O=[N+]([O-])c1cc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1Oc1ccccc1Cl ZINC000729683801 1071806613 /nfs/dbraw/zinc/80/66/13/1071806613.db2.gz BKESFDZHMQSIAY-SJORKVTESA-N 1 0 417.893 3.993 20 5 HHBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000538800486 1072674821 /nfs/dbraw/zinc/67/48/21/1072674821.db2.gz NKPHJLTWBPEUOK-UHFFFAOYSA-N 1 0 405.458 3.671 20 5 HHBDRO CC[NH+]1CCN(c2ccc(-c3noc(-c4cc5cc([N+](=O)[O-])ccc5o4)n3)cn2)CC1 ZINC000571696837 1072699913 /nfs/dbraw/zinc/69/99/13/1072699913.db2.gz KARLYRTWZIVQAB-UHFFFAOYSA-N 1 0 420.429 3.595 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000588116393 1072808746 /nfs/dbraw/zinc/80/87/46/1072808746.db2.gz SENORULTRASDTN-FQEVSTJZSA-N 1 0 410.518 3.691 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000571811666 1072862038 /nfs/dbraw/zinc/86/20/38/1072862038.db2.gz YUFYJKKXCDZGMZ-CYFNAFFESA-N 1 0 418.444 3.543 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)c1 ZINC000554884699 1072935737 /nfs/dbraw/zinc/93/57/37/1072935737.db2.gz PISAKDAAVKSPGF-UHFFFAOYSA-N 1 0 412.490 3.696 20 5 HHBDRO C[NH+](C)C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 ZINC000555230969 1073275702 /nfs/dbraw/zinc/27/57/02/1073275702.db2.gz RTPGPQQQYHPPEG-LJQANCHMSA-N 1 0 400.866 3.691 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000555333941 1073347768 /nfs/dbraw/zinc/34/77/68/1073347768.db2.gz FSUADOUVXUNCSL-IYBDPMFKSA-N 1 0 414.472 3.604 20 5 HHBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 ZINC000760761400 1073454394 /nfs/dbraw/zinc/45/43/94/1073454394.db2.gz HQJWBFWXLAFCCI-LLVKDONJSA-N 1 0 404.692 3.567 20 5 HHBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000590193877 1073641109 /nfs/dbraw/zinc/64/11/09/1073641109.db2.gz WINCORUMLGKPEE-DGCLKSJQSA-N 1 0 413.243 3.587 20 5 HHBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590445875 1073838506 /nfs/dbraw/zinc/83/85/06/1073838506.db2.gz SOEIKQVMCJUHDW-UZLBHIALSA-N 1 0 414.893 3.636 20 5 HHBDRO CCCOc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OCCC ZINC000555800073 1073845013 /nfs/dbraw/zinc/84/50/13/1073845013.db2.gz MUSQEYXSSHQLQV-INIZCTEOSA-N 1 0 420.510 3.874 20 5 HHBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC4(C3)CC[NH+](C)CC4)cc2[N+](=O)[O-])C1 ZINC000590548239 1073889423 /nfs/dbraw/zinc/88/94/23/1073889423.db2.gz VMBLGGFOJWITFZ-QZTJIDSGSA-N 1 0 414.550 3.635 20 5 HHBDRO CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000568067984 1074110483 /nfs/dbraw/zinc/11/04/83/1074110483.db2.gz NNJMCKJMXXZZIC-IBGZPJMESA-N 1 0 404.442 3.946 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000574459834 1075257858 /nfs/dbraw/zinc/25/78/58/1075257858.db2.gz AGMNIORYBLUTQP-QFIPXVFZSA-N 1 0 410.518 3.689 20 5 HHBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)C2 ZINC001164815209 720197578 /nfs/dbraw/zinc/19/75/78/720197578.db2.gz WXMGXOSMEYRNMB-YKSBVNFPSA-N 1 0 422.529 3.842 20 5 HHBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164842435 720529593 /nfs/dbraw/zinc/52/95/93/720529593.db2.gz XGNZRIHZYZSMKI-XYJFISCASA-N 1 0 418.929 3.526 20 5 HHBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3cccc([N+](=O)[O-])c31)CC2 ZINC001164795304 721502903 /nfs/dbraw/zinc/50/29/03/721502903.db2.gz KJHIAGCLVDTPGP-UHFFFAOYSA-N 1 0 418.501 3.814 20 5 HHBDRO O=[N+]([O-])c1ccc2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2c1 ZINC001164906807 721525922 /nfs/dbraw/zinc/52/59/22/721525922.db2.gz LJZUMTWTNMWKIG-QUCCMNQESA-N 1 0 408.433 3.624 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908306 721709852 /nfs/dbraw/zinc/70/98/52/721709852.db2.gz WYWGOOIGBJRCRG-FQEVSTJZSA-N 1 0 417.460 3.739 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC001165024525 721800809 /nfs/dbraw/zinc/80/08/09/721800809.db2.gz LOLZSUYWCODVCS-DKSSEZFCSA-N 1 0 401.898 3.775 20 5 HHBDRO Cc1cc(Cl)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1[N+](=O)[O-] ZINC001164952171 722016088 /nfs/dbraw/zinc/01/60/88/722016088.db2.gz INDVUTMATJCHGJ-UHFFFAOYSA-N 1 0 401.898 3.839 20 5 HHBDRO COc1cc[nH+]c(N2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)c1 ZINC000301216272 970813154 /nfs/dbraw/zinc/81/31/54/970813154.db2.gz YGQMQDQBCJJZMA-UHFFFAOYSA-N 1 0 418.453 3.556 20 5 HHBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 ZINC000301300285 970856557 /nfs/dbraw/zinc/85/65/57/970856557.db2.gz UQLCDACQABPJJM-MRXNPFEDSA-N 1 0 422.407 3.660 20 5 HHBDRO Cc1cc(Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)ncc1[N+](=O)[O-] ZINC000301451845 970935644 /nfs/dbraw/zinc/93/56/44/970935644.db2.gz UPWNEGHDXAKABE-UHFFFAOYSA-N 1 0 404.474 3.759 20 5 HHBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccc(Cl)cc1 ZINC000301465077 970943143 /nfs/dbraw/zinc/94/31/43/970943143.db2.gz HAZTXAOICKNDKA-SFHVURJKSA-N 1 0 404.854 3.920 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000301490998 970955263 /nfs/dbraw/zinc/95/52/63/970955263.db2.gz BGEUPXAREAMLPA-CQSZACIVSA-N 1 0 405.296 3.853 20 5 HHBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000301525785 970967068 /nfs/dbraw/zinc/96/70/68/970967068.db2.gz HOADXAKCUILJJF-RDTXWAMCSA-N 1 0 414.462 3.769 20 5 HHBDRO C[C@H]1C[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301525858 970967334 /nfs/dbraw/zinc/96/73/34/970967334.db2.gz HSKKORCKYQRLNQ-OXJNMPFZSA-N 1 0 408.502 3.952 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301677915 971024848 /nfs/dbraw/zinc/02/48/48/971024848.db2.gz IHOZFDMLBJNLTC-OAHLLOKOSA-N 1 0 410.474 3.770 20 5 HHBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000301692365 971029666 /nfs/dbraw/zinc/02/96/66/971029666.db2.gz OCFSIKJWQOHPFB-UHFFFAOYSA-N 1 0 419.323 3.897 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301811229 971072724 /nfs/dbraw/zinc/07/27/24/971072724.db2.gz XXUQCGPEDSHZLF-LBPRGKRZSA-N 1 0 406.284 3.785 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301883046 971097816 /nfs/dbraw/zinc/09/78/16/971097816.db2.gz IXHANTDOMISGQD-LJQANCHMSA-N 1 0 422.529 3.932 20 5 HHBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)c1ncc([N+](=O)[O-])cc1Br ZINC000301924218 971118754 /nfs/dbraw/zinc/11/87/54/971118754.db2.gz MBABNTCONWDEBL-UHFFFAOYSA-N 1 0 406.284 3.500 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301931503 971121530 /nfs/dbraw/zinc/12/15/30/971121530.db2.gz LTPBGBWJFZFOGP-AWEZNQCLSA-N 1 0 415.581 3.541 20 5 HHBDRO Cc1cc([N+](=O)[O-])cnc1Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000301931966 971121576 /nfs/dbraw/zinc/12/15/76/971121576.db2.gz OKQILUAUWJVEAK-UHFFFAOYSA-N 1 0 404.474 3.759 20 5 HHBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(Br)c1 ZINC000302033788 971156540 /nfs/dbraw/zinc/15/65/40/971156540.db2.gz DKFQOAIXLVQEFS-INIZCTEOSA-N 1 0 406.280 3.536 20 5 HHBDRO O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc2N1 ZINC000302159401 971190723 /nfs/dbraw/zinc/19/07/23/971190723.db2.gz NOBHJDAENXOLIV-KZNAEPCWSA-N 1 0 422.485 3.638 20 5 HHBDRO Cc1cc(NC2CC[NH+](CCOC(C)C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302664005 971274095 /nfs/dbraw/zinc/27/40/95/971274095.db2.gz IYIYQHAXEVVYIW-UHFFFAOYSA-N 1 0 400.317 3.967 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)cc2)C1 ZINC000302677948 971277052 /nfs/dbraw/zinc/27/70/52/971277052.db2.gz VHSRYAPCKQAJMM-INIZCTEOSA-N 1 0 417.531 3.842 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)cc2)C1 ZINC000302677949 971277299 /nfs/dbraw/zinc/27/72/99/971277299.db2.gz VHSRYAPCKQAJMM-MRXNPFEDSA-N 1 0 417.531 3.842 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)cc1[N+](=O)[O-] ZINC000542137026 1013069633 /nfs/dbraw/zinc/06/96/33/1013069633.db2.gz ZOAQQPDXGFZHIO-OAHLLOKOSA-N 1 0 406.479 3.606 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000303410297 971688369 /nfs/dbraw/zinc/68/83/69/971688369.db2.gz UTKGJFUJKHLXFD-UHFFFAOYSA-N 1 0 407.474 3.988 20 5 HHBDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000303455987 971759188 /nfs/dbraw/zinc/75/91/88/971759188.db2.gz MIWCZPOOUSOTEG-UHFFFAOYSA-N 1 0 418.563 3.651 20 5 HHBDRO COc1ccc(NC(=O)CCN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000303583848 971876396 /nfs/dbraw/zinc/87/63/96/971876396.db2.gz KWZWHAFFMLPYOS-ZWKOTPCHSA-N 1 0 418.538 3.518 20 5 HHBDRO C[NH+](C)Cc1cc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)ccc1F ZINC000303684002 971960339 /nfs/dbraw/zinc/96/03/39/971960339.db2.gz KZCHUOOWJBJJTK-UHFFFAOYSA-N 1 0 412.368 3.719 20 5 HHBDRO O=C(CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000303728748 971982163 /nfs/dbraw/zinc/98/21/63/971982163.db2.gz UNKKQKBVUIADCS-INIZCTEOSA-N 1 0 408.930 3.775 20 5 HHBDRO C[C@@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+]1Cc1ccccc1 ZINC000303783726 972025069 /nfs/dbraw/zinc/02/50/69/972025069.db2.gz SXSDQOQQTFLFJK-DYESRHJHSA-N 1 0 411.502 3.946 20 5 HHBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000553176231 1013137265 /nfs/dbraw/zinc/13/72/65/1013137265.db2.gz VGCFIEVNGQXHNW-CJNGLKHVSA-N 1 0 411.452 3.658 20 5 HHBDRO C[N@H+](CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000542194044 1013137362 /nfs/dbraw/zinc/13/73/62/1013137362.db2.gz RIHJWIQKIODVAS-UHFFFAOYSA-N 1 0 411.886 3.728 20 5 HHBDRO Cc1cccc(C[N@@H+](Cc2ccccn2)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000542211146 1013157531 /nfs/dbraw/zinc/15/75/31/1013157531.db2.gz MJEGBIBYBKBBED-OAQYLSRUSA-N 1 0 407.470 3.740 20 5 HHBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000524337134 1013159705 /nfs/dbraw/zinc/15/97/05/1013159705.db2.gz JXPBUDMZNXDKEY-UHFFFAOYSA-N 1 0 417.897 3.712 20 5 HHBDRO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000537628937 1013181267 /nfs/dbraw/zinc/18/12/67/1013181267.db2.gz MKELXEMIZOVLJT-OAQYLSRUSA-N 1 0 419.485 3.623 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCC(C)(C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000537635442 1013189322 /nfs/dbraw/zinc/18/93/22/1013189322.db2.gz SZHUNUBSBVLUJG-UHFFFAOYSA-N 1 0 402.495 3.809 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000537681531 1013241936 /nfs/dbraw/zinc/24/19/36/1013241936.db2.gz KOPWSUNBYNQRSR-HDICACEKSA-N 1 0 417.550 3.872 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000537681533 1013242347 /nfs/dbraw/zinc/24/23/47/1013242347.db2.gz KOPWSUNBYNQRSR-ROUUACIJSA-N 1 0 417.550 3.872 20 5 HHBDRO COc1ccc(-c2ccc(CN3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000537698782 1013264302 /nfs/dbraw/zinc/26/43/02/1013264302.db2.gz XTPFKLAMUKFXON-WQFQCULDSA-N 1 0 415.490 3.547 20 5 HHBDRO COc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000010448146 961824033 /nfs/dbraw/zinc/82/40/33/961824033.db2.gz QCFNUKFFBZEPCJ-KRWDZBQOSA-N 1 0 403.504 3.868 20 5 HHBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000010893348 961939141 /nfs/dbraw/zinc/93/91/41/961939141.db2.gz WNGQWSANLDUMDV-UHFFFAOYSA-N 1 0 422.529 3.546 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1)CC1CC1 ZINC000537813559 1013377229 /nfs/dbraw/zinc/37/72/29/1013377229.db2.gz RWWVCBCTYVCPEM-UHFFFAOYSA-N 1 0 412.534 3.979 20 5 HHBDRO CCc1ccc([C@H]([NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542475232 1013423663 /nfs/dbraw/zinc/42/36/63/1013423663.db2.gz SOLAOLQGEQJDCE-VGOFRKELSA-N 1 0 409.490 3.832 20 5 HHBDRO COc1cc(C)c(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000024805150 964077186 /nfs/dbraw/zinc/07/71/86/964077186.db2.gz JNEUBEKCYWRPLY-UHFFFAOYSA-N 1 0 401.463 3.689 20 5 HHBDRO COc1cc(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000542531821 1013475004 /nfs/dbraw/zinc/47/50/04/1013475004.db2.gz MTBXRORFNQRPCS-UONOGXRCSA-N 1 0 413.465 3.947 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000049994688 964232194 /nfs/dbraw/zinc/23/21/94/964232194.db2.gz QUSOUSZQSMYNCG-QGZVFWFLSA-N 1 0 417.531 3.762 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000553616544 1013500318 /nfs/dbraw/zinc/50/03/18/1013500318.db2.gz GERJXIKCAMBXGL-NQIIRXRSSA-N 1 0 410.518 3.689 20 5 HHBDRO O=C(CCN1CC[NH+](Cc2cccc3ccccc32)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026260147 964508295 /nfs/dbraw/zinc/50/82/95/964508295.db2.gz FWGULHUDKANXDX-UHFFFAOYSA-N 1 0 418.497 3.894 20 5 HHBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC(F)F ZINC000026453634 964569772 /nfs/dbraw/zinc/56/97/72/964569772.db2.gz FSGGNZDKWRUFPO-UHFFFAOYSA-N 1 0 423.416 3.974 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052244399 964848969 /nfs/dbraw/zinc/84/89/69/964848969.db2.gz IKYDFVFEZDOUOE-INIZCTEOSA-N 1 0 417.531 3.842 20 5 HHBDRO COc1cc(CN2CC[NH+](Cc3ccccc3C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000027358939 964862785 /nfs/dbraw/zinc/86/27/85/964862785.db2.gz BTIUMTYILHBQTI-UHFFFAOYSA-N 1 0 421.444 3.831 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000537952344 1013532778 /nfs/dbraw/zinc/53/27/78/1013532778.db2.gz BKWQEPAUTZFQIS-CYBMUJFWSA-N 1 0 406.280 3.907 20 5 HHBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000052467225 964914827 /nfs/dbraw/zinc/91/48/27/964914827.db2.gz JJBNXKFGRPEPEL-UHFFFAOYSA-N 1 0 418.425 3.519 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000537955552 1013535907 /nfs/dbraw/zinc/53/59/07/1013535907.db2.gz BTOOCNOXSYBXEN-QQFBHYJXSA-N 1 0 405.495 3.802 20 5 HHBDRO Cn1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000052960125 965031235 /nfs/dbraw/zinc/03/12/35/965031235.db2.gz NJQNHVPDTQCYSW-OAQYLSRUSA-N 1 0 419.485 3.562 20 5 HHBDRO COc1ccc(Br)c(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000537967286 1013545012 /nfs/dbraw/zinc/54/50/12/1013545012.db2.gz BAUXXBDXALMFNG-GFCCVEGCSA-N 1 0 422.279 3.873 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000537978614 1013554488 /nfs/dbraw/zinc/55/44/88/1013554488.db2.gz AOSSSPQJOALYNX-ZDUSSCGKSA-N 1 0 406.280 3.746 20 5 HHBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000029178214 965298747 /nfs/dbraw/zinc/29/87/47/965298747.db2.gz VMCUGRWECFURMX-OAQYLSRUSA-N 1 0 422.529 3.765 20 5 HHBDRO O=c1ccccn1Cc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000537992494 1013567701 /nfs/dbraw/zinc/56/77/01/1013567701.db2.gz ZJFHHLFDFKYMLX-QFIPXVFZSA-N 1 0 403.482 3.916 20 5 HHBDRO CC[N@H+](CCC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1)CC(C)C ZINC000537996462 1013571219 /nfs/dbraw/zinc/57/12/19/1013571219.db2.gz ZYCJLYCDUQLHSB-UHFFFAOYSA-N 1 0 404.555 3.922 20 5 HHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000054227810 965436360 /nfs/dbraw/zinc/43/63/60/965436360.db2.gz CNIIQKDRINMRTB-LPHOPBHVSA-N 1 0 419.485 3.561 20 5 HHBDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000553737190 1013580391 /nfs/dbraw/zinc/58/03/91/1013580391.db2.gz UPRIVAUYPLHFQI-UHFFFAOYSA-N 1 0 410.430 3.874 20 5 HHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)cc1 ZINC000058092822 965621299 /nfs/dbraw/zinc/62/12/99/965621299.db2.gz SGVICSULSTVCTD-UHFFFAOYSA-N 1 0 407.264 3.851 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2[N+](=O)[O-])CC1 ZINC000058269160 965668382 /nfs/dbraw/zinc/66/83/82/965668382.db2.gz BOGCYSPUBOWDAC-UHFFFAOYSA-N 1 0 414.550 3.922 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)COc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000059408690 966022639 /nfs/dbraw/zinc/02/26/39/966022639.db2.gz MIXAZMPWINSXOL-ROUUACIJSA-N 1 0 411.502 3.768 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000542703418 1013618312 /nfs/dbraw/zinc/61/83/12/1013618312.db2.gz MWWHIIZYPCDWFI-UHFFFAOYSA-N 1 0 406.280 3.575 20 5 HHBDRO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196453 966254816 /nfs/dbraw/zinc/25/48/16/966254816.db2.gz YRHXTHPXKWQAIB-HZPDHXFCSA-N 1 0 412.490 3.755 20 5 HHBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000061205262 966397031 /nfs/dbraw/zinc/39/70/31/966397031.db2.gz HWSFMOPRZOJDFU-UHFFFAOYSA-N 1 0 418.881 3.651 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000035580016 966421316 /nfs/dbraw/zinc/42/13/16/966421316.db2.gz XMHLQZHBZQQXDZ-KXBFYZLASA-N 1 0 416.547 3.925 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000036701063 966442760 /nfs/dbraw/zinc/44/27/60/966442760.db2.gz RKQIVXYLSVIUHY-LJQANCHMSA-N 1 0 403.866 3.824 20 5 HHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061791091 966555710 /nfs/dbraw/zinc/55/57/10/966555710.db2.gz MDXLUOHUVFUUQD-UHFFFAOYSA-N 1 0 414.531 3.550 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H](c4nncn4C4CC4)C3)o2)c1 ZINC000538139366 1013700461 /nfs/dbraw/zinc/70/04/61/1013700461.db2.gz UXUMDQHGWKPOMI-INIZCTEOSA-N 1 0 408.462 3.598 20 5 HHBDRO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000064643877 967256696 /nfs/dbraw/zinc/25/66/96/967256696.db2.gz YLFUQQJDDDQYNE-HOTGVXAUSA-N 1 0 402.520 3.929 20 5 HHBDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[NH+](C)C)cc1 ZINC000554015277 1013755285 /nfs/dbraw/zinc/75/52/85/1013755285.db2.gz TWBOVUSLKRRWMI-OAQYLSRUSA-N 1 0 422.485 3.963 20 5 HHBDRO COCCSc1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000538204636 1013759143 /nfs/dbraw/zinc/75/91/43/1013759143.db2.gz IMMCMGUNJCJGLL-OAHLLOKOSA-N 1 0 415.515 3.573 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)c([N+](=O)[O-])c1 ZINC000538225057 1013774559 /nfs/dbraw/zinc/77/45/59/1013774559.db2.gz RNKNMLNNNFBHFO-CYBMUJFWSA-N 1 0 417.437 3.821 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000554096413 1013796121 /nfs/dbraw/zinc/79/61/21/1013796121.db2.gz YPFTUKAFOIMNRF-GDBMZVCRSA-N 1 0 401.429 3.839 20 5 HHBDRO CC[NH+](CC)CCOc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000065722567 968613812 /nfs/dbraw/zinc/61/38/12/968613812.db2.gz JSVLAEMZOPBSLK-UHFFFAOYSA-N 1 0 410.474 3.909 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000065938820 968729275 /nfs/dbraw/zinc/72/92/75/968729275.db2.gz SQEIOLRYCBINMZ-UHFFFAOYSA-N 1 0 401.410 3.879 20 5 HHBDRO Cc1cc(OCC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccc1[N+](=O)[O-] ZINC000554151978 1013825710 /nfs/dbraw/zinc/82/57/10/1013825710.db2.gz LKHCTKBFLTVMRB-UHFFFAOYSA-N 1 0 423.513 3.797 20 5 HHBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000069231002 968821293 /nfs/dbraw/zinc/82/12/93/968821293.db2.gz XZESXOUHTIKSMG-NRFANRHFSA-N 1 0 424.545 3.734 20 5 HHBDRO COc1ccc([C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000071817779 968864425 /nfs/dbraw/zinc/86/44/25/968864425.db2.gz RTZLASGJKZGYFZ-QFIPXVFZSA-N 1 0 424.501 3.745 20 5 HHBDRO CC1CC[NH+]([C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c2ccccc2)CC1 ZINC000072006980 968929797 /nfs/dbraw/zinc/92/97/97/968929797.db2.gz DQFPSGQGIXZUSG-HXUWFJFHSA-N 1 0 407.474 3.674 20 5 HHBDRO C[NH+](C)CCN1C(=O)c2cccc3cc(Nc4ccc([N+](=O)[O-])cc4)cc(c32)C1=O ZINC000082154450 969036713 /nfs/dbraw/zinc/03/67/13/969036713.db2.gz XYCUZANBIMHLMM-UHFFFAOYSA-N 1 0 404.426 3.649 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cc2)C1 ZINC000107958790 969347937 /nfs/dbraw/zinc/34/79/37/969347937.db2.gz WDZKAPSAMFROAA-HNNXBMFYSA-N 1 0 411.458 3.850 20 5 HHBDRO COc1ccc2[nH]cc(C3CC[NH+](CC(=O)N(C)c4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000108971030 969442124 /nfs/dbraw/zinc/44/21/24/969442124.db2.gz UCUYQPLGAPDQAG-UHFFFAOYSA-N 1 0 422.485 3.927 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[NH+]2CCCC2)cc1 ZINC000109505010 969525746 /nfs/dbraw/zinc/52/57/46/969525746.db2.gz RHRBQEOYEPKLSL-QFIPXVFZSA-N 1 0 419.485 3.656 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[NH+]2CCCC2)cc1 ZINC000109505008 969526092 /nfs/dbraw/zinc/52/60/92/969526092.db2.gz RHRBQEOYEPKLSL-JOCHJYFZSA-N 1 0 419.485 3.656 20 5 HHBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000217067983 970082880 /nfs/dbraw/zinc/08/28/80/970082880.db2.gz RWUCKWMOSQCFKW-MRXNPFEDSA-N 1 0 421.501 3.855 20 5 HHBDRO CC1CC[NH+](C[C@H](O)CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000236627292 970148841 /nfs/dbraw/zinc/14/88/41/970148841.db2.gz MEZUNROXOMXNEX-MRXNPFEDSA-N 1 0 407.898 3.691 20 5 HHBDRO CC(C)C[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCOCC1 ZINC000236684750 970154939 /nfs/dbraw/zinc/15/49/39/970154939.db2.gz XQVIYIAQISVSGF-IBGZPJMESA-N 1 0 404.536 3.555 20 5 HHBDRO CCC(CC)C(=O)N1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236934040 970190920 /nfs/dbraw/zinc/19/09/20/970190920.db2.gz UYBHWROFLSXSNZ-UHFFFAOYSA-N 1 0 413.522 3.512 20 5 HHBDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236976824 970197743 /nfs/dbraw/zinc/19/77/43/970197743.db2.gz PYRKMUSFCRGFJO-KRWDZBQOSA-N 1 0 421.501 3.842 20 5 HHBDRO C[NH+](C)CCOc1ccc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000236973374 970197985 /nfs/dbraw/zinc/19/79/85/970197985.db2.gz VHSOUJNPVNOBNX-UHFFFAOYSA-N 1 0 412.515 3.949 20 5 HHBDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236990469 970201870 /nfs/dbraw/zinc/20/18/70/970201870.db2.gz VJNSVZPYQHXCNM-IRXDYDNUSA-N 1 0 421.501 3.840 20 5 HHBDRO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000237077947 970218807 /nfs/dbraw/zinc/21/88/07/970218807.db2.gz QARRHOZORMHQLI-FQEVSTJZSA-N 1 0 411.502 3.878 20 5 HHBDRO CN(C)C(=O)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237141632 970230534 /nfs/dbraw/zinc/23/05/34/970230534.db2.gz SRDLITOYUIGRLD-UHFFFAOYSA-N 1 0 410.268 3.575 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237195427 970239605 /nfs/dbraw/zinc/23/96/05/970239605.db2.gz YNHGUIFPGQFWFN-FGZHOGPDSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237203760 970240659 /nfs/dbraw/zinc/24/06/59/970240659.db2.gz QLIOZVBVPZYGJP-FXAWDEMLSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1cc(CNC[C@@H](C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237214581 970242987 /nfs/dbraw/zinc/24/29/87/970242987.db2.gz XFWNBIMPWAHOJZ-CQSZACIVSA-N 1 0 419.444 3.755 20 5 HHBDRO COc1cc(CNC[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237241190 970247324 /nfs/dbraw/zinc/24/73/24/970247324.db2.gz GBYYQBVUOASULX-AWEZNQCLSA-N 1 0 419.444 3.755 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCC[C@@]2(C)CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237242284 970248070 /nfs/dbraw/zinc/24/80/70/970248070.db2.gz OLLLNPYOCHMXCU-VXKWHMMOSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1cc(CNC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237259327 970250163 /nfs/dbraw/zinc/25/01/63/970250163.db2.gz DGAAJBHTSOPNKH-KGLIPLIRSA-N 1 0 419.444 3.755 20 5 HHBDRO COc1ccc(C[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1[N+](=O)[O-] ZINC000237357885 970269702 /nfs/dbraw/zinc/26/97/02/970269702.db2.gz XGZWKZVFTKQKAN-UHFFFAOYSA-N 1 0 410.396 3.776 20 5 HHBDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237362868 970270276 /nfs/dbraw/zinc/27/02/76/970270276.db2.gz HQPUWQQRNQFLKU-INIZCTEOSA-N 1 0 415.309 3.821 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237383001 970274457 /nfs/dbraw/zinc/27/44/57/970274457.db2.gz ZBNVLQPMFIZVEU-QFBILLFUSA-N 1 0 411.502 3.897 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]CCCNC(=O)c3occc3C)o2)c([N+](=O)[O-])c1 ZINC000237426465 970284016 /nfs/dbraw/zinc/28/40/16/970284016.db2.gz BDEWCCHHKIZVLY-UHFFFAOYSA-N 1 0 413.430 3.675 20 5 HHBDRO COc1ccc(C(=O)NCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000237448898 970290994 /nfs/dbraw/zinc/29/09/94/970290994.db2.gz KCRIWNYRSAXHKN-UHFFFAOYSA-N 1 0 411.483 3.852 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000237650754 970329913 /nfs/dbraw/zinc/32/99/13/970329913.db2.gz XOYQSDSJWGTFLH-XYASWCNUSA-N 1 0 401.894 3.925 20 5 HHBDRO O=C1[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCN1c1ccc(OC(F)F)cc1 ZINC000237893637 970390533 /nfs/dbraw/zinc/39/05/33/970390533.db2.gz PGJANIVWRHKFEJ-HNSSHINMSA-N 1 0 417.412 3.995 20 5 HHBDRO O=C1[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCN1c1ccc(OC(F)F)cc1 ZINC000237894888 970390812 /nfs/dbraw/zinc/39/08/12/970390812.db2.gz PGJANIVWRHKFEJ-PXPSOEEZSA-N 1 0 417.412 3.995 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cs1 ZINC000237903341 970391786 /nfs/dbraw/zinc/39/17/86/970391786.db2.gz WRTHXFMDZZBVTR-MRXNPFEDSA-N 1 0 415.437 3.838 20 5 HHBDRO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237925495 970395955 /nfs/dbraw/zinc/39/59/55/970395955.db2.gz VGEGTGNZDXITQL-MJGOQNOKSA-N 1 0 419.485 3.581 20 5 HHBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000247968905 970494219 /nfs/dbraw/zinc/49/42/19/970494219.db2.gz CKNZNZYDHHHTBX-KBPBESRZSA-N 1 0 416.444 3.652 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000247984263 970495449 /nfs/dbraw/zinc/49/54/49/970495449.db2.gz IOHFFUPGCCZRBX-MJGOQNOKSA-N 1 0 417.531 3.749 20 5 HHBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000301109345 970753091 /nfs/dbraw/zinc/75/30/91/970753091.db2.gz NJFOUUDJBYJLGQ-KRWDZBQOSA-N 1 0 408.502 3.690 20 5 HHBDRO CC[NH+]1CCN(c2ccc(CNc3ccc(Br)cc3[N+](=O)[O-])cn2)CC1 ZINC000301111597 970754005 /nfs/dbraw/zinc/75/40/05/970754005.db2.gz RZAQDLMGHZPORC-UHFFFAOYSA-N 1 0 420.311 3.506 20 5 HHBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000425912730 974026008 /nfs/dbraw/zinc/02/60/08/974026008.db2.gz DYKVZPPODLUJPJ-QGZVFWFLSA-N 1 0 424.270 3.789 20 5 HHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3=Cc4cc(Br)ccc4OC3)CC2)n1 ZINC000425960923 974065596 /nfs/dbraw/zinc/06/55/96/974065596.db2.gz ZHSWZSVTRJJIFS-UHFFFAOYSA-N 1 0 419.279 3.667 20 5 HHBDRO C[NH+](C)CCCC1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000426264977 974357090 /nfs/dbraw/zinc/35/70/90/974357090.db2.gz FONDNRIPMIOJEM-UHFFFAOYSA-N 1 0 416.444 3.877 20 5 HHBDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)O1 ZINC000426653333 974584526 /nfs/dbraw/zinc/58/45/26/974584526.db2.gz AOXQBHYECKTGAE-QZTJIDSGSA-N 1 0 417.550 3.610 20 5 HHBDRO CSc1ccc(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000427296271 975033208 /nfs/dbraw/zinc/03/32/08/975033208.db2.gz NLFAOPRNRQJDEP-IYBDPMFKSA-N 1 0 421.563 3.668 20 5 HHBDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@@H](C)O1 ZINC000427297929 975033694 /nfs/dbraw/zinc/03/36/94/975033694.db2.gz XZEHWAAEOJKOHZ-HZPDHXFCSA-N 1 0 423.941 3.529 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000427878140 975330832 /nfs/dbraw/zinc/33/08/32/975330832.db2.gz VCYKHNGVABKNHJ-LBPRGKRZSA-N 1 0 401.854 3.642 20 5 HHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[N@@H+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000428218346 975541898 /nfs/dbraw/zinc/54/18/98/975541898.db2.gz WGQGXDGHHUSQSF-QFIPXVFZSA-N 1 0 410.518 3.999 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-])c1ccccn1 ZINC000428712518 976002294 /nfs/dbraw/zinc/00/22/94/976002294.db2.gz NJKGTOVWJUFTSB-YRISNDGFSA-N 1 0 423.517 3.719 20 5 HHBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@H]2Cc3cccc(O)c3C2)cc1OC ZINC000429295096 976575057 /nfs/dbraw/zinc/57/50/57/976575057.db2.gz AICBDKRFZJFNHD-PBHICJAKSA-N 1 0 400.475 3.991 20 5 HHBDRO COc1ccc(C[N@@H+]2CCCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000429933706 977210282 /nfs/dbraw/zinc/21/02/82/977210282.db2.gz XGBWMTWPRIODIA-UHFFFAOYSA-N 1 0 411.502 3.616 20 5 HHBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000430051652 977298722 /nfs/dbraw/zinc/29/87/22/977298722.db2.gz MOMNZLCYVOMSAQ-OAHLLOKOSA-N 1 0 416.275 3.982 20 5 HHBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000430108194 977322820 /nfs/dbraw/zinc/32/28/20/977322820.db2.gz VBKKCLBGRMJOJB-HXUWFJFHSA-N 1 0 406.385 3.513 20 5 HHBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430684830 977694231 /nfs/dbraw/zinc/69/42/31/977694231.db2.gz OVLNAGCKBRQGLN-HXUWFJFHSA-N 1 0 411.502 3.653 20 5 HHBDRO Cc1cc(OCC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ccc1[N+](=O)[O-] ZINC000430783734 977755423 /nfs/dbraw/zinc/75/54/23/977755423.db2.gz FDALLOQXHBOFAU-UHFFFAOYSA-N 1 0 423.513 3.797 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)cc1OC ZINC000430823932 977779323 /nfs/dbraw/zinc/77/93/23/977779323.db2.gz VDIDMOSWIRGEFD-NVXWUHKLSA-N 1 0 407.511 3.633 20 5 HHBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000430830301 977785008 /nfs/dbraw/zinc/78/50/08/977785008.db2.gz MMWGSXKSKYLPAC-GDBMZVCRSA-N 1 0 409.552 3.956 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000431033801 977967861 /nfs/dbraw/zinc/96/78/61/977967861.db2.gz KSUTWMBVKRZOSA-OAHLLOKOSA-N 1 0 410.268 3.763 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431159255 978059793 /nfs/dbraw/zinc/05/97/93/978059793.db2.gz NMDKHVNHOUCERU-OKILXGFUSA-N 1 0 412.328 3.845 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431472429 978319391 /nfs/dbraw/zinc/31/93/91/978319391.db2.gz PZKAHJJMAJBSGK-DYVFJYSZSA-N 1 0 418.291 3.923 20 5 HHBDRO Cc1cc(OCC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000431953419 978616661 /nfs/dbraw/zinc/61/66/61/978616661.db2.gz IUWWGWIWUFLWPL-UHFFFAOYSA-N 1 0 411.502 3.653 20 5 HHBDRO CC[N@@H+]1CCC[C@@H](CN(C)c2ccnc3c2cccc3[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000432132424 978689514 /nfs/dbraw/zinc/68/95/14/978689514.db2.gz CFDXWFLHQBINHC-KSFYIVLOSA-N 1 0 408.506 3.786 20 5 HHBDRO CCCOc1cc(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])cc1OCCC ZINC000432641388 978921850 /nfs/dbraw/zinc/92/18/50/978921850.db2.gz JDAZIUASTVLZGD-NRFANRHFSA-N 1 0 420.510 3.732 20 5 HHBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433166447 979111050 /nfs/dbraw/zinc/11/10/50/979111050.db2.gz XNOGTQKOFMCVJF-DJJJIMSYSA-N 1 0 403.504 3.576 20 5 HHBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000433165967 979111084 /nfs/dbraw/zinc/11/10/84/979111084.db2.gz WLWRVKCNAZTOIE-VLIAUNLRSA-N 1 0 417.531 3.918 20 5 HHBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000433166448 979111174 /nfs/dbraw/zinc/11/11/74/979111174.db2.gz FXRYSCFNFQGKBM-JLTOFOAXSA-N 1 0 417.531 3.918 20 5 HHBDRO CC1(C)C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c2cc([N+](=O)[O-])ccc21 ZINC000433266728 979201369 /nfs/dbraw/zinc/20/13/69/979201369.db2.gz BDHPLEKBEOAGCD-LEOXJPRUSA-N 1 0 409.530 3.790 20 5 HHBDRO C[N@@H+]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000433990148 979738917 /nfs/dbraw/zinc/73/89/17/979738917.db2.gz LEVKHZDIASOVEM-UHFFFAOYSA-N 1 0 415.412 3.626 20 5 HHBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000434319666 980083107 /nfs/dbraw/zinc/08/31/07/980083107.db2.gz YSJHOMKYFPRAOQ-LJQANCHMSA-N 1 0 423.448 3.938 20 5 HHBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000434322959 980086754 /nfs/dbraw/zinc/08/67/54/980086754.db2.gz YGMVFZDPYYRJAK-SFHVURJKSA-N 1 0 420.473 3.502 20 5 HHBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000434446703 980186037 /nfs/dbraw/zinc/18/60/37/980186037.db2.gz QQOHNOCZIDCRIZ-HNNXBMFYSA-N 1 0 411.452 3.706 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434497450 980211875 /nfs/dbraw/zinc/21/18/75/980211875.db2.gz NPIROARNUGUHDI-UHFFFAOYSA-N 1 0 401.438 3.893 20 5 HHBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000435323701 980782596 /nfs/dbraw/zinc/78/25/96/980782596.db2.gz OPKYMTHPUACKTJ-ZDUSSCGKSA-N 1 0 413.316 3.861 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435369069 980817719 /nfs/dbraw/zinc/81/77/19/980817719.db2.gz KERZNDAWJHSJRG-LJQANCHMSA-N 1 0 423.448 3.559 20 5 HHBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000436380565 981337732 /nfs/dbraw/zinc/33/77/32/981337732.db2.gz BLGHLGZGYQEIDM-UHFFFAOYSA-N 1 0 410.396 3.577 20 5 HHBDRO COC(=O)c1cc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c(C)c([N+](=O)[O-])c1 ZINC000436392565 981344972 /nfs/dbraw/zinc/34/49/72/981344972.db2.gz SKCMRAYJSNZMIO-QGZVFWFLSA-N 1 0 418.494 3.608 20 5 HHBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000448425368 981771643 /nfs/dbraw/zinc/77/16/43/981771643.db2.gz KFAUQJLGXDSVSH-LJQANCHMSA-N 1 0 405.542 3.639 20 5 HHBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460191746 981965746 /nfs/dbraw/zinc/96/57/46/981965746.db2.gz IVAIKFNVCGOYMQ-UHFFFAOYSA-N 1 0 424.480 3.725 20 5 HHBDRO CCOc1cc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1OCC ZINC000437615422 982235745 /nfs/dbraw/zinc/23/57/45/982235745.db2.gz RIVPEJCGSNPCMS-HNNXBMFYSA-N 1 0 408.499 3.730 20 5 HHBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000460511783 982300227 /nfs/dbraw/zinc/30/02/27/982300227.db2.gz YHNLTZZHAAMJGO-FQEVSTJZSA-N 1 0 421.419 3.708 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC000460717138 982473420 /nfs/dbraw/zinc/47/34/20/982473420.db2.gz PDXZXGDJZQJUQZ-UHFFFAOYSA-N 1 0 410.518 3.544 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000437976348 982501906 /nfs/dbraw/zinc/50/19/06/982501906.db2.gz HSPYVUJOUNFONS-FXAWDEMLSA-N 1 0 408.502 3.932 20 5 HHBDRO CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccs1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000461015081 982724175 /nfs/dbraw/zinc/72/41/75/982724175.db2.gz MCZVVEUHTJQAMA-GOSISDBHSA-N 1 0 424.530 3.636 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc2[N+](=O)[O-])n1 ZINC000461032561 982734905 /nfs/dbraw/zinc/73/49/05/982734905.db2.gz XAHBMGXFTYNDKH-GFCCVEGCSA-N 1 0 408.549 3.969 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000438455851 982808640 /nfs/dbraw/zinc/80/86/40/982808640.db2.gz OOWUBXRGCDCZGV-UYAOXDASSA-N 1 0 410.518 3.827 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2cccs2)cc1SC ZINC000438535635 982873445 /nfs/dbraw/zinc/87/34/45/982873445.db2.gz NIBLTAQPCFGKKY-UHFFFAOYSA-N 1 0 409.533 3.591 20 5 HHBDRO CC(C)C1CCC([NH+]2CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)CC1 ZINC000438555981 982897108 /nfs/dbraw/zinc/89/71/08/982897108.db2.gz ULQIUQFCKBFFMU-OBFZPWGMSA-N 1 0 414.550 3.533 20 5 HHBDRO Cc1c(CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000438836817 983106010 /nfs/dbraw/zinc/10/60/10/983106010.db2.gz QFYGLOQMDJRGFG-GOSISDBHSA-N 1 0 421.419 3.855 20 5 HHBDRO CC(C)[N@@H+](Cc1ccc(-c2cccc(F)c2)s1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438838962 983106855 /nfs/dbraw/zinc/10/68/55/983106855.db2.gz WDDMYJKFVQVUKQ-SFHVURJKSA-N 1 0 418.494 3.930 20 5 HHBDRO CC(C)(C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000461452191 983117614 /nfs/dbraw/zinc/11/76/14/983117614.db2.gz UPOVJIXZVVBNKE-UXHICEINSA-N 1 0 407.514 3.853 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461455606 983122237 /nfs/dbraw/zinc/12/22/37/983122237.db2.gz LSYVQGJLJGSWKG-SFTDATJTSA-N 1 0 422.529 3.767 20 5 HHBDRO Cc1c(CC(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000438907032 983146885 /nfs/dbraw/zinc/14/68/85/983146885.db2.gz JNJVFPGBNGBAHU-UHFFFAOYSA-N 1 0 424.501 3.899 20 5 HHBDRO CC(C)c1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)cc1[N+](=O)[O-] ZINC000438947951 983172431 /nfs/dbraw/zinc/17/24/31/983172431.db2.gz ANMYULQEXFIWGU-UHFFFAOYSA-N 1 0 411.506 3.896 20 5 HHBDRO Cc1c(CC(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000439048811 983227259 /nfs/dbraw/zinc/22/72/59/983227259.db2.gz DXJGUIXSKNMBLF-LJQANCHMSA-N 1 0 409.486 3.550 20 5 HHBDRO CC(C)c1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)cc1[N+](=O)[O-] ZINC000439117021 983257921 /nfs/dbraw/zinc/25/79/21/983257921.db2.gz KWVBUHFYTBDMAD-SFHVURJKSA-N 1 0 424.501 3.668 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000439126891 983263087 /nfs/dbraw/zinc/26/30/87/983263087.db2.gz GEZSIVGTZWUXTL-QRWLVFNGSA-N 1 0 407.474 3.663 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000439126889 983263249 /nfs/dbraw/zinc/26/32/49/983263249.db2.gz GEZSIVGTZWUXTL-FOIQADDNSA-N 1 0 407.474 3.663 20 5 HHBDRO CSc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000439766263 983529942 /nfs/dbraw/zinc/52/99/42/983529942.db2.gz HJATWMZMYOGODP-CQSZACIVSA-N 1 0 400.504 3.667 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000439865262 983560889 /nfs/dbraw/zinc/56/08/89/983560889.db2.gz IUUAYXPXJDLXRH-UHFFFAOYSA-N 1 0 413.478 3.698 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000439892177 983573061 /nfs/dbraw/zinc/57/30/61/983573061.db2.gz ROLVNIUVRUTHPP-HNNXBMFYSA-N 1 0 413.478 3.736 20 5 HHBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCSC1 ZINC000442688724 985159977 /nfs/dbraw/zinc/15/99/77/985159977.db2.gz LZPVUXNTTSHYJQ-HXUWFJFHSA-N 1 0 417.556 3.913 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1C ZINC000462327498 985317985 /nfs/dbraw/zinc/31/79/85/985317985.db2.gz OSXOJOSHZMKNSK-DNVCBOLYSA-N 1 0 423.560 3.635 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1C ZINC000462327503 985318515 /nfs/dbraw/zinc/31/85/15/985318515.db2.gz OSXOJOSHZMKNSK-KXBFYZLASA-N 1 0 423.560 3.635 20 5 HHBDRO O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000443352865 985515966 /nfs/dbraw/zinc/51/59/66/985515966.db2.gz QKMAJFYWVZSDQV-UHFFFAOYSA-N 1 0 421.856 3.661 20 5 HHBDRO O=C1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1CCOc1ccccc1 ZINC000462717552 985663793 /nfs/dbraw/zinc/66/37/93/985663793.db2.gz IZRLCBOCJMXMRU-GOSISDBHSA-N 1 0 421.453 3.624 20 5 HHBDRO CNc1c(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000462775329 985711717 /nfs/dbraw/zinc/71/17/17/985711717.db2.gz GIHIMTFPZCSNNX-YJYMSZOUSA-N 1 0 420.872 3.852 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000462777657 985713596 /nfs/dbraw/zinc/71/35/96/985713596.db2.gz NQZBCHGICMUVSK-IEBWSBKVSA-N 1 0 410.518 3.900 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000462806204 985737816 /nfs/dbraw/zinc/73/78/16/985737816.db2.gz GDHNWEWWKBNVCZ-CZUORRHYSA-N 1 0 407.392 3.864 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443601283 985777688 /nfs/dbraw/zinc/77/76/88/985777688.db2.gz MVPVHGSPVNMVJE-QGZVFWFLSA-N 1 0 418.538 3.518 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443719125 985929383 /nfs/dbraw/zinc/92/93/83/985929383.db2.gz QMXDBNPMYZJOTN-QGZVFWFLSA-N 1 0 417.531 3.589 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000462984600 985932578 /nfs/dbraw/zinc/93/25/78/985932578.db2.gz BUENKAYVGSNHBO-DBXWQHBBSA-N 1 0 417.550 3.511 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000468290464 985987891 /nfs/dbraw/zinc/98/78/91/985987891.db2.gz ODIAEHKOLULWEE-AWEZNQCLSA-N 1 0 417.487 3.731 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000443954910 986162999 /nfs/dbraw/zinc/16/29/99/986162999.db2.gz DJJKLDACNRUZDX-HZPDHXFCSA-N 1 0 404.511 3.565 20 5 HHBDRO NC(=O)[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])Cc1ccccc1Cl ZINC000468473922 986168460 /nfs/dbraw/zinc/16/84/60/986168460.db2.gz BGFNVHQMEYRASF-QRFRQXIXSA-N 1 0 415.921 3.893 20 5 HHBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444002871 986201480 /nfs/dbraw/zinc/20/14/80/986201480.db2.gz KUNVVMFSAASUFR-OKILXGFUSA-N 1 0 413.468 3.952 20 5 HHBDRO CCCC[NH+]1CCC(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000444004964 986202032 /nfs/dbraw/zinc/20/20/32/986202032.db2.gz UENZZMMJWYBVGC-UHFFFAOYSA-N 1 0 413.468 3.954 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H](C)C1 ZINC000444020789 986213959 /nfs/dbraw/zinc/21/39/59/986213959.db2.gz LSCGFBFYUVFWRQ-UWJYYQICSA-N 1 0 421.541 3.548 20 5 HHBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000444115585 986314063 /nfs/dbraw/zinc/31/40/63/986314063.db2.gz MOEOROFMALFIST-UHFFFAOYSA-N 1 0 421.541 3.644 20 5 HHBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444152636 986335802 /nfs/dbraw/zinc/33/58/02/986335802.db2.gz OBRFYOWKCOWKNS-MRXNPFEDSA-N 1 0 407.489 3.815 20 5 HHBDRO CNC(=O)N[C@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000468687500 986399753 /nfs/dbraw/zinc/39/97/53/986399753.db2.gz KAPBKSBUIOAGQH-AWEZNQCLSA-N 1 0 404.854 3.544 20 5 HHBDRO COc1cc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000468694460 986407343 /nfs/dbraw/zinc/40/73/43/986407343.db2.gz PECHPAYYWFDSBV-RBUKOAKNSA-N 1 0 400.422 3.542 20 5 HHBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444249714 986444418 /nfs/dbraw/zinc/44/44/18/986444418.db2.gz JDQFOOFGSAMVGD-INIZCTEOSA-N 1 0 409.505 3.918 20 5 HHBDRO O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000468757215 986471550 /nfs/dbraw/zinc/47/15/50/986471550.db2.gz AFFWVDYMPXCCFG-UHFFFAOYSA-N 1 0 408.483 3.944 20 5 HHBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1F ZINC000444298026 986483999 /nfs/dbraw/zinc/48/39/99/986483999.db2.gz LOYVCTSWKMIAOS-UHFFFAOYSA-N 1 0 403.457 3.812 20 5 HHBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444334940 986513140 /nfs/dbraw/zinc/51/31/40/986513140.db2.gz JFCLLDFJGPRELA-CQSZACIVSA-N 1 0 413.468 3.954 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000444900271 987049043 /nfs/dbraw/zinc/04/90/43/987049043.db2.gz RKZBZNNLZNJYMA-HZPDHXFCSA-N 1 0 412.490 3.882 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1)CC1CC1 ZINC000444922654 987070284 /nfs/dbraw/zinc/07/02/84/987070284.db2.gz NQTBOKWWFNLRFL-UHFFFAOYSA-N 1 0 404.511 3.969 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)c1 ZINC000469446317 987133036 /nfs/dbraw/zinc/13/30/36/987133036.db2.gz NDPPTXOFTWEHQR-GOSISDBHSA-N 1 0 404.413 3.792 20 5 HHBDRO C[NH+](C)CCc1ccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000469481798 987163580 /nfs/dbraw/zinc/16/35/80/987163580.db2.gz LVJUKISJAGBSOR-UHFFFAOYSA-N 1 0 407.923 3.761 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000469482236 987164395 /nfs/dbraw/zinc/16/43/95/987164395.db2.gz QSNYVXZGYBVVBN-SFHVURJKSA-N 1 0 409.408 3.965 20 5 HHBDRO C[NH+](C)CCc1ccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000469485301 987166581 /nfs/dbraw/zinc/16/65/81/987166581.db2.gz FEQSPUOPBNLHGR-UHFFFAOYSA-N 1 0 417.484 3.855 20 5 HHBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000469502810 987180259 /nfs/dbraw/zinc/18/02/59/987180259.db2.gz DGHPJDRIATXDTG-JOCHJYFZSA-N 1 0 408.502 3.891 20 5 HHBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000469555604 987227027 /nfs/dbraw/zinc/22/70/27/987227027.db2.gz BOXOWIPJPFVBKJ-GOSISDBHSA-N 1 0 405.520 3.567 20 5 HHBDRO COc1cc(CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000469769373 987421443 /nfs/dbraw/zinc/42/14/43/987421443.db2.gz PCHBRBHXYLOEIW-BRLLKYFNSA-N 1 0 401.482 3.989 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463866891 987975439 /nfs/dbraw/zinc/97/54/39/987975439.db2.gz SKMXCYVNIWWZRM-INIZCTEOSA-N 1 0 421.419 3.908 20 5 HHBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000470116704 988018069 /nfs/dbraw/zinc/01/80/69/988018069.db2.gz HISVTIHUOSLJBP-UHFFFAOYSA-N 1 0 400.454 3.906 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2[N+](=O)[O-])C1 ZINC000463931067 988040475 /nfs/dbraw/zinc/04/04/75/988040475.db2.gz OSHFUVPNPGXIIP-SYXAYUIZSA-N 1 0 414.550 3.822 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H](C[N@H+](C)CC4CC4)C3)cc2[N+](=O)[O-])C1 ZINC000470233623 988168200 /nfs/dbraw/zinc/16/82/00/988168200.db2.gz ZJGGXFQEJAQAPL-IEBWSBKVSA-N 1 0 414.550 3.635 20 5 HHBDRO CNC(=O)c1ccc(N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000470451739 988432192 /nfs/dbraw/zinc/43/21/92/988432192.db2.gz LRZUSRLVNNCSRM-UHFFFAOYSA-N 1 0 424.423 3.541 20 5 HHBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000464357170 988510877 /nfs/dbraw/zinc/51/08/77/988510877.db2.gz SACBHIYHVWGCRJ-MRXNPFEDSA-N 1 0 400.504 3.713 20 5 HHBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000470593788 988608752 /nfs/dbraw/zinc/60/87/52/988608752.db2.gz DOFWLAGPYDNIRZ-NRFANRHFSA-N 1 0 422.485 3.735 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1cccc(C(F)(F)F)c1 ZINC000470605014 988624173 /nfs/dbraw/zinc/62/41/73/988624173.db2.gz GKZOJVFQIOGYLE-KRWDZBQOSA-N 1 0 413.371 3.714 20 5 HHBDRO CN(c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470870895 988940306 /nfs/dbraw/zinc/94/03/06/988940306.db2.gz GEGKMPUHROWIDT-FQEVSTJZSA-N 1 0 408.502 3.588 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000470898768 988972916 /nfs/dbraw/zinc/97/29/16/988972916.db2.gz UIQVMOCTKOBDPY-UHFFFAOYSA-N 1 0 415.515 3.837 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464836309 989079619 /nfs/dbraw/zinc/07/96/19/989079619.db2.gz JYSVUNGAXGKFCU-LJQANCHMSA-N 1 0 410.518 3.828 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464840651 989085180 /nfs/dbraw/zinc/08/51/80/989085180.db2.gz UKOLMTVZFCERCH-IBGZPJMESA-N 1 0 410.518 3.828 20 5 HHBDRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000471163062 989282248 /nfs/dbraw/zinc/28/22/48/989282248.db2.gz YBGREPYGGCSDIX-LJQANCHMSA-N 1 0 407.470 3.914 20 5 HHBDRO C[C@@](CO)([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCCCC1 ZINC000471245994 989392939 /nfs/dbraw/zinc/39/29/39/989392939.db2.gz WXDOMYBKAVWYEB-FQEVSTJZSA-N 1 0 418.519 3.578 20 5 HHBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471392564 989570594 /nfs/dbraw/zinc/57/05/94/989570594.db2.gz WBGWAKPNJZPQMD-IYBDPMFKSA-N 1 0 419.403 3.818 20 5 HHBDRO C[C@@H](CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000471444242 989628490 /nfs/dbraw/zinc/62/84/90/989628490.db2.gz PAORSUWBDHKNKZ-SFHVURJKSA-N 1 0 410.518 3.835 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1SC ZINC000471461845 989650829 /nfs/dbraw/zinc/65/08/29/989650829.db2.gz ISYQBTCNDHINJT-OAHLLOKOSA-N 1 0 417.531 3.966 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000465531040 989890948 /nfs/dbraw/zinc/89/09/48/989890948.db2.gz QEUBVELKHHDWER-OAQYLSRUSA-N 1 0 418.538 3.658 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000465557247 989921245 /nfs/dbraw/zinc/92/12/45/989921245.db2.gz XTQVOSZTVTWCNX-GOSISDBHSA-N 1 0 410.518 3.869 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000471860784 990033051 /nfs/dbraw/zinc/03/30/51/990033051.db2.gz YKQCVKCSLVIYKR-CQSZACIVSA-N 1 0 409.364 3.517 20 5 HHBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000472042494 990212614 /nfs/dbraw/zinc/21/26/14/990212614.db2.gz KULFQIOXEYOHSQ-OAQYLSRUSA-N 1 0 414.506 3.659 20 5 HHBDRO C[NH+](C)CCc1ccc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc1 ZINC000466434801 991723094 /nfs/dbraw/zinc/72/30/94/991723094.db2.gz NPRMRKVQOYMUPX-UHFFFAOYSA-N 1 0 406.486 4.285 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000466780002 992087606 /nfs/dbraw/zinc/08/76/06/992087606.db2.gz SMJDBGZJIGXYQN-UHFFFAOYSA-N 1 0 402.882 3.843 20 5 HHBDRO Cc1sc(S(=O)(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467051256 992359688 /nfs/dbraw/zinc/35/96/88/992359688.db2.gz NAUMTZXXGTVHKM-YOEHRIQHSA-N 1 0 423.560 3.544 20 5 HHBDRO CC[NH+](CC)CCOC1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000467171317 992490295 /nfs/dbraw/zinc/49/02/95/992490295.db2.gz SZWQCPXSBBCULA-INIZCTEOSA-N 1 0 417.510 3.529 20 5 HHBDRO CCS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000467412061 992716327 /nfs/dbraw/zinc/71/63/27/992716327.db2.gz GMDISZUEZJHJFA-FXAWDEMLSA-N 1 0 402.516 3.889 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467448962 992743868 /nfs/dbraw/zinc/74/38/68/992743868.db2.gz HFPGUDOMPDIAAP-YWZLYKJASA-N 1 0 416.909 3.958 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000467687991 992944455 /nfs/dbraw/zinc/94/44/55/992944455.db2.gz KEAIPDJNDWIVRO-CJNGLKHVSA-N 1 0 418.291 3.750 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[N@@H+]1Cc1ccccc1 ZINC000467691105 992946963 /nfs/dbraw/zinc/94/69/63/992946963.db2.gz LXGKCMPGTWJEAG-WIYYLYMNSA-N 1 0 422.529 3.590 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000467719689 992973258 /nfs/dbraw/zinc/97/32/58/992973258.db2.gz DTIGAXJDSDIWRC-XHDPSFHLSA-N 1 0 418.544 3.723 20 5 HHBDRO CCc1ccc(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1[N+](=O)[O-] ZINC000472162084 993211888 /nfs/dbraw/zinc/21/18/88/993211888.db2.gz UWGSGGLXUVLNBJ-KRWDZBQOSA-N 1 0 411.502 3.787 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000472305825 993317995 /nfs/dbraw/zinc/31/79/95/993317995.db2.gz MXPMWBQWMYSNGA-IBGZPJMESA-N 1 0 408.502 3.791 20 5 HHBDRO O=C(Nc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1)c1cccnc1 ZINC000472646297 993582791 /nfs/dbraw/zinc/58/27/91/993582791.db2.gz LITDOYJPTUMKSA-WOJBJXKFSA-N 1 0 420.473 3.712 20 5 HHBDRO Cc1cccc([C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)N2CCOCC2)c1 ZINC000480781553 993648614 /nfs/dbraw/zinc/64/86/14/993648614.db2.gz VBKPLXKESQKLFZ-LADGPHEKSA-N 1 0 409.530 3.887 20 5 HHBDRO CCC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000481028260 993872603 /nfs/dbraw/zinc/87/26/03/993872603.db2.gz WXRCONPPOMOATK-HXUWFJFHSA-N 1 0 405.520 3.913 20 5 HHBDRO CN(CC[N@H+](C)C1CC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000473081569 993996843 /nfs/dbraw/zinc/99/68/43/993996843.db2.gz RMQNNHNCKVEFRB-HXUWFJFHSA-N 1 0 416.909 3.954 20 5 HHBDRO Cc1ccc(C(=O)CC[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc1 ZINC000481181010 994011380 /nfs/dbraw/zinc/01/13/80/994011380.db2.gz YGTONRBTVHZONH-UHFFFAOYSA-N 1 0 407.474 3.565 20 5 HHBDRO O=C(C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000481193319 994027102 /nfs/dbraw/zinc/02/71/02/994027102.db2.gz SDZFZKIJXWIPEU-IRXDYDNUSA-N 1 0 411.458 3.653 20 5 HHBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000473258527 994108571 /nfs/dbraw/zinc/10/85/71/994108571.db2.gz ANTXHAKCBODTFM-UHFFFAOYSA-N 1 0 422.489 3.501 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000473269912 994119947 /nfs/dbraw/zinc/11/99/47/994119947.db2.gz DNECDBHBIPHKIP-HOTGVXAUSA-N 1 0 406.486 3.963 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@H](CO)[C@@H]3CCOC3)cc2[N+](=O)[O-])cc1 ZINC000481821409 994671760 /nfs/dbraw/zinc/67/17/60/994671760.db2.gz ZLTBHIWMWOIXDV-QZTJIDSGSA-N 1 0 402.516 3.789 20 5 HHBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481869068 994731523 /nfs/dbraw/zinc/73/15/23/994731523.db2.gz VZKANSSIFHCESQ-SFTDATJTSA-N 1 0 423.513 3.877 20 5 HHBDRO CCOC(=O)c1ccnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000481994910 994895897 /nfs/dbraw/zinc/89/58/97/994895897.db2.gz UWDSTPSSZAAHLO-ICSRJNTNSA-N 1 0 424.501 3.657 20 5 HHBDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000481997409 994898608 /nfs/dbraw/zinc/89/86/08/994898608.db2.gz FBUIESNHEPHWNU-ZDUSSCGKSA-N 1 0 416.421 3.608 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(Br)cc2C)cc1[N+](=O)[O-] ZINC000473988971 994976798 /nfs/dbraw/zinc/97/67/98/994976798.db2.gz XQZKJSKDVFWPEE-UHFFFAOYSA-N 1 0 423.263 3.507 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)c([N+](=O)[O-])cc1O ZINC000473993520 994982555 /nfs/dbraw/zinc/98/25/55/994982555.db2.gz IJTMZMGQJYVEON-CYBMUJFWSA-N 1 0 412.273 3.984 20 5 HHBDRO O=C(C1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1)N1CCSCC1 ZINC000482104523 995051125 /nfs/dbraw/zinc/05/11/25/995051125.db2.gz XPEJCAUCWWSUOT-UUKMXZOPSA-N 1 0 417.575 3.640 20 5 HHBDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000482151033 995104104 /nfs/dbraw/zinc/10/41/04/995104104.db2.gz YKULYYVGQQLRHJ-KRWDZBQOSA-N 1 0 411.502 3.796 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)cc1[N+](=O)[O-] ZINC000474351628 995331090 /nfs/dbraw/zinc/33/10/90/995331090.db2.gz LVNKXFKQIBWNGL-LRTDBIEQSA-N 1 0 402.422 3.699 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)cc1[N+](=O)[O-] ZINC000474355851 995336158 /nfs/dbraw/zinc/33/61/58/995336158.db2.gz QQHFIRVRDSOQJF-UHFFFAOYSA-N 1 0 411.458 3.843 20 5 HHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1Oc1ccccc1 ZINC000482500950 995511187 /nfs/dbraw/zinc/51/11/87/995511187.db2.gz AMJVZJZCBIOANV-UYBVGCJSSA-N 1 0 413.474 3.527 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1OC)[NH+]1CCCCC1 ZINC000475025351 995878979 /nfs/dbraw/zinc/87/89/79/995878979.db2.gz ZBLDCSXWXQLMHE-IBGZPJMESA-N 1 0 413.474 3.569 20 5 HHBDRO COc1cccc(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1[N+](=O)[O-] ZINC000475425530 996130214 /nfs/dbraw/zinc/13/02/14/996130214.db2.gz YTAUOTQSQSIHGD-UHFFFAOYSA-N 1 0 415.490 3.705 20 5 HHBDRO CCOc1cc(N2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000475504872 996186957 /nfs/dbraw/zinc/18/69/57/996186957.db2.gz VAJUFYIGDOKRAY-UHFFFAOYSA-N 1 0 407.474 3.501 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000475511278 996191624 /nfs/dbraw/zinc/19/16/24/996191624.db2.gz SZCYTDVXBMIWSA-VXGBXAGGSA-N 1 0 407.268 3.820 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000475511627 996191798 /nfs/dbraw/zinc/19/17/98/996191798.db2.gz VOIGZMXXTQDMEB-VXGBXAGGSA-N 1 0 407.268 3.820 20 5 HHBDRO CCOc1cc(N2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)ccc1[N+](=O)[O-] ZINC000475516692 996195488 /nfs/dbraw/zinc/19/54/88/996195488.db2.gz NAHJQLORQUZCHM-UHFFFAOYSA-N 1 0 407.474 3.501 20 5 HHBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)c1ccco1 ZINC000483548324 996244106 /nfs/dbraw/zinc/24/41/06/996244106.db2.gz KQRGEDAOWVNYHW-BLLLJJGKSA-N 1 0 418.450 3.534 20 5 HHBDRO CC[C@H]1C[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C[C@]2(CCOC2)O1 ZINC000475617824 996251450 /nfs/dbraw/zinc/25/14/50/996251450.db2.gz MWVVJSVJURHNHQ-BTYIYWSLSA-N 1 0 402.447 3.633 20 5 HHBDRO CC[C@H]1C[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C[C@@]2(CCOC2)O1 ZINC000475617830 996251777 /nfs/dbraw/zinc/25/17/77/996251777.db2.gz MWVVJSVJURHNHQ-YCRPNKLZSA-N 1 0 402.447 3.633 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000484347911 996719566 /nfs/dbraw/zinc/71/95/66/996719566.db2.gz HQNNDCGZOYHFMP-HNNXBMFYSA-N 1 0 403.401 3.842 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1SC ZINC000484591757 996924668 /nfs/dbraw/zinc/92/46/68/996924668.db2.gz LQQCILCDUNKQKM-GJZGRUSLSA-N 1 0 409.552 3.813 20 5 HHBDRO CCCOc1ccc(O[C@H]2CCCC[C@@H]2[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000484631474 996966128 /nfs/dbraw/zinc/96/61/28/996966128.db2.gz INMIUAOXEGGIHY-SFTDATJTSA-N 1 0 415.490 3.525 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000484640536 996974858 /nfs/dbraw/zinc/97/48/58/996974858.db2.gz HHDJEKSMJRRAJF-QUCCMNQESA-N 1 0 413.474 3.830 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1SC ZINC000484961122 997337797 /nfs/dbraw/zinc/33/77/97/997337797.db2.gz SCRFKBWATMNFIT-OAHLLOKOSA-N 1 0 421.544 3.954 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000477074803 997726050 /nfs/dbraw/zinc/72/60/50/997726050.db2.gz LPQLFQNECUZKDH-WQIZZMQYSA-N 1 0 403.504 3.662 20 5 HHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000477075364 997726903 /nfs/dbraw/zinc/72/69/03/997726903.db2.gz MLLSLDAFQYZFTN-DVECYGJZSA-N 1 0 422.529 3.910 20 5 HHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000485349281 997770571 /nfs/dbraw/zinc/77/05/71/997770571.db2.gz LIQOSZDARZQUCE-WPYKKVEZSA-N 1 0 422.529 3.999 20 5 HHBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485400986 997831751 /nfs/dbraw/zinc/83/17/51/997831751.db2.gz FIXZIBIPVASTKT-GOSISDBHSA-N 1 0 402.470 3.733 20 5 HHBDRO C[NH+](C)Cc1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1F ZINC000477412839 998098066 /nfs/dbraw/zinc/09/80/66/998098066.db2.gz PCHSODWBYSNERR-UHFFFAOYSA-N 1 0 417.484 3.672 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000485762037 998235541 /nfs/dbraw/zinc/23/55/41/998235541.db2.gz GOKOKLHLBNIPME-UHFFFAOYSA-N 1 0 400.504 3.711 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000485815564 998283358 /nfs/dbraw/zinc/28/33/58/998283358.db2.gz CQWBBFCDFHMDPG-NWDGAFQWSA-N 1 0 400.460 3.891 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000485834418 998300825 /nfs/dbraw/zinc/30/08/25/998300825.db2.gz WMKYOAWPFLPPMX-LBPRGKRZSA-N 1 0 400.460 3.893 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCCCC2)c1 ZINC000477638406 998356153 /nfs/dbraw/zinc/35/61/53/998356153.db2.gz PQBDBZIEZKWQKB-KRWDZBQOSA-N 1 0 412.412 3.620 20 5 HHBDRO CCc1cc(NCc2ccccc2OCC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000477641495 998359408 /nfs/dbraw/zinc/35/94/08/998359408.db2.gz BQOMKYJIZSKJRD-UHFFFAOYSA-N 1 0 421.501 3.589 20 5 HHBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000485999236 998443539 /nfs/dbraw/zinc/44/35/39/998443539.db2.gz BXLDUZZZZNKPIL-ZDUSSCGKSA-N 1 0 409.458 3.505 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1SC ZINC000486071511 998518923 /nfs/dbraw/zinc/51/89/23/998518923.db2.gz SNXCMBZBAKOVRV-UHFFFAOYSA-N 1 0 407.536 3.710 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000477951180 998677579 /nfs/dbraw/zinc/67/75/79/998677579.db2.gz LVRMCVSGCAWSTJ-IVMQYODDSA-N 1 0 423.517 3.910 20 5 HHBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CCC2 ZINC000478045680 998732590 /nfs/dbraw/zinc/73/25/90/998732590.db2.gz HGQUDXXDGJXQOA-INIZCTEOSA-N 1 0 418.519 3.960 20 5 HHBDRO C[C@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000486549442 998820631 /nfs/dbraw/zinc/82/06/31/998820631.db2.gz NTSARVGTDDGARQ-HNNXBMFYSA-N 1 0 403.429 3.539 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)c2cccc(SC)c2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000486650167 998875760 /nfs/dbraw/zinc/87/57/60/998875760.db2.gz JYOHNISFMGLECZ-GOSISDBHSA-N 1 0 415.515 3.892 20 5 HHBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@H]1[NH+](C)C ZINC000478448010 998964595 /nfs/dbraw/zinc/96/45/95/998964595.db2.gz IPCOGNYGDZUCPB-IEBWSBKVSA-N 1 0 401.488 3.505 20 5 HHBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)c2)CC1 ZINC000486881116 998989839 /nfs/dbraw/zinc/98/98/39/998989839.db2.gz DFYDJTQETMEPIJ-UHFFFAOYSA-N 1 0 418.444 3.585 20 5 HHBDRO Cc1c(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000478663049 999077052 /nfs/dbraw/zinc/07/70/52/999077052.db2.gz SQPSWQDWUQVPFT-SEJPIABJSA-N 1 0 408.502 3.898 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc4ncccc4c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000487203900 999096208 /nfs/dbraw/zinc/09/62/08/999096208.db2.gz DLUICBGKIWMIEK-INIZCTEOSA-N 1 0 408.458 3.847 20 5 HHBDRO Cc1cc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000487992668 999340126 /nfs/dbraw/zinc/34/01/26/999340126.db2.gz LKUQWCGYHFZPHH-HXUWFJFHSA-N 1 0 417.513 3.759 20 5 HHBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C1 ZINC000488295316 999427296 /nfs/dbraw/zinc/42/72/96/999427296.db2.gz ONYALAIQOCHRTG-INIZCTEOSA-N 1 0 423.579 3.964 20 5 HHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)n1 ZINC000479481117 999436753 /nfs/dbraw/zinc/43/67/53/999436753.db2.gz QUBUELNYRXBHHH-SJJHQCBESA-N 1 0 415.460 3.670 20 5 HHBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000479539613 999467525 /nfs/dbraw/zinc/46/75/25/999467525.db2.gz DQCHBWNJBNVTSQ-KURKYZTESA-N 1 0 416.566 3.879 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000488458582 999492705 /nfs/dbraw/zinc/49/27/05/999492705.db2.gz NIBLSACTWXXLII-MGPUTAFESA-N 1 0 401.894 3.818 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479876588 999633198 /nfs/dbraw/zinc/63/31/98/999633198.db2.gz UUAAFFGJZJBPFH-BETUJISGSA-N 1 0 403.891 3.691 20 5 HHBDRO C[NH+](C)C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488896970 999639828 /nfs/dbraw/zinc/63/98/28/999639828.db2.gz KCAABMMKKMHPCR-INIZCTEOSA-N 1 0 409.845 3.575 20 5 HHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000489016087 999672577 /nfs/dbraw/zinc/67/25/77/999672577.db2.gz CMHYJALBQBFHRR-NRFANRHFSA-N 1 0 422.485 3.535 20 5 HHBDRO CCC(=O)c1ccc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000480005416 999683261 /nfs/dbraw/zinc/68/32/61/999683261.db2.gz HQSXUEYVAMBBKW-ZDUSSCGKSA-N 1 0 401.492 3.732 20 5 HHBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000489166262 999715032 /nfs/dbraw/zinc/71/50/32/999715032.db2.gz IGGTUURJRHMGAQ-ICSRJNTNSA-N 1 0 410.518 3.828 20 5 HHBDRO Cn1ccnc1C(=O)c1ccc(Nc2ccc(CC[NH+]3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000480518228 999816716 /nfs/dbraw/zinc/81/67/16/999816716.db2.gz KIPUIXHKUJTVGC-UHFFFAOYSA-N 1 0 419.485 3.941 20 5 HHBDRO CCC[C@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000480630706 999845541 /nfs/dbraw/zinc/84/55/41/999845541.db2.gz NFHHRXHGKBOQJH-QFIPXVFZSA-N 1 0 410.518 3.613 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000489892896 999856797 /nfs/dbraw/zinc/85/67/97/999856797.db2.gz SMHQMDBBVIHSBD-FOIQADDNSA-N 1 0 400.479 3.575 20 5 HHBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000490086354 999890796 /nfs/dbraw/zinc/89/07/96/999890796.db2.gz IBQMFKFTIIZYPL-HXUWFJFHSA-N 1 0 407.474 3.956 20 5 HHBDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000490091913 999892032 /nfs/dbraw/zinc/89/20/32/999892032.db2.gz IJPBARSTPKVXEX-SFHVURJKSA-N 1 0 419.865 3.866 20 5 HHBDRO COc1cccc(C(=O)NCC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000490129847 999897370 /nfs/dbraw/zinc/89/73/70/999897370.db2.gz HRFLWFGLUBRHJC-JOCHJYFZSA-N 1 0 405.454 3.712 20 5 HHBDRO CCNc1ccc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1[N+](=O)[O-] ZINC000490149074 999900411 /nfs/dbraw/zinc/90/04/11/999900411.db2.gz HLWLTWPTEVTGTK-UHFFFAOYSA-N 1 0 414.531 3.870 20 5 HHBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000490542816 999974904 /nfs/dbraw/zinc/97/49/04/999974904.db2.gz KBQGYFXDHBUBCE-ZFWWWQNUSA-N 1 0 401.454 3.552 20 5 HHBDRO C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490760562 1000002087 /nfs/dbraw/zinc/00/20/87/1000002087.db2.gz UKNDMDICMWDOIY-AZUAARDMSA-N 1 0 410.518 3.814 20 5 HHBDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000491028258 1000036158 /nfs/dbraw/zinc/03/61/58/1000036158.db2.gz DFTAZSLJJXUXSX-QFIPXVFZSA-N 1 0 410.495 3.920 20 5 HHBDRO CCOc1cc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492791016 1000144453 /nfs/dbraw/zinc/14/44/53/1000144453.db2.gz QSGYJWMGRXUMLQ-UHFFFAOYSA-N 1 0 415.465 3.661 20 5 HHBDRO COc1ccc(C(=O)NCC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000493156179 1000160521 /nfs/dbraw/zinc/16/05/21/1000160521.db2.gz WZYPZEURDURWMV-JOCHJYFZSA-N 1 0 405.454 3.712 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)cc2[N+](=O)[O-])n1 ZINC000493343310 1000169615 /nfs/dbraw/zinc/16/96/15/1000169615.db2.gz FFHHTVNHOXHOEU-CZUORRHYSA-N 1 0 418.544 3.677 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000493924064 1000216918 /nfs/dbraw/zinc/21/69/18/1000216918.db2.gz GLXWVKRJSCQJPS-OEPMTFCVSA-N 1 0 405.401 3.628 20 5 HHBDRO Cc1cc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n(C2CC[NH+](C)CC2)n1 ZINC000494089499 1000302746 /nfs/dbraw/zinc/30/27/46/1000302746.db2.gz MUNPTDVWRYUGTM-UHFFFAOYSA-N 1 0 412.494 3.563 20 5 HHBDRO C[C@]1(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000494182815 1000348203 /nfs/dbraw/zinc/34/82/03/1000348203.db2.gz NBGZZZLJRJFJKU-HSZRJFAPSA-N 1 0 419.485 3.565 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504899593 1000436133 /nfs/dbraw/zinc/43/61/33/1000436133.db2.gz JDZVXBAGVWYSON-HRAATJIYSA-N 1 0 417.481 3.857 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000504906384 1000440260 /nfs/dbraw/zinc/44/02/60/1000440260.db2.gz XGYPVMUXJCOFSX-XLIONFOSSA-N 1 0 411.502 3.878 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000504920694 1000449487 /nfs/dbraw/zinc/44/94/87/1000449487.db2.gz PNXSCUSZRCBPDO-ROUUACIJSA-N 1 0 401.532 3.755 20 5 HHBDRO C[N@H+](CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)Cc1ccc(F)cc1 ZINC000494441816 1000494294 /nfs/dbraw/zinc/49/42/94/1000494294.db2.gz ABTNHQJOBQZURF-UHFFFAOYSA-N 1 0 400.454 3.540 20 5 HHBDRO CC1CCN(c2ccc(C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)cc2[N+](=O)[O-])CC1 ZINC000505125977 1000563483 /nfs/dbraw/zinc/56/34/83/1000563483.db2.gz WFCFUYUNQJBQIJ-UHFFFAOYSA-N 1 0 406.446 3.664 20 5 HHBDRO CC(C)(C)[NH+]1CCC(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000494683192 1000603030 /nfs/dbraw/zinc/60/30/30/1000603030.db2.gz VDEQWFPGUPBAEJ-UHFFFAOYSA-N 1 0 402.417 3.676 20 5 HHBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505255851 1000649310 /nfs/dbraw/zinc/64/93/10/1000649310.db2.gz VVAOYIJRUGNCIM-UHFFFAOYSA-N 1 0 411.506 3.509 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000505313672 1000694556 /nfs/dbraw/zinc/69/45/56/1000694556.db2.gz HYDHRLNAXKKEQN-MRXNPFEDSA-N 1 0 402.495 3.809 20 5 HHBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000495107641 1000844743 /nfs/dbraw/zinc/84/47/43/1000844743.db2.gz JQKQQKNLSHXSAK-MBSDFSHPSA-N 1 0 417.513 3.974 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)cc2[N+](=O)[O-])C1 ZINC000505526497 1000871802 /nfs/dbraw/zinc/87/18/02/1000871802.db2.gz CVQQZJSFHGVADT-IXFSTUDKSA-N 1 0 414.550 3.635 20 5 HHBDRO COCC[N@H+](C)CC[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccccc1 ZINC000505564996 1000908067 /nfs/dbraw/zinc/90/80/67/1000908067.db2.gz RWLUHQMCZADOSD-SFHVURJKSA-N 1 0 412.490 3.601 20 5 HHBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000505604001 1000929440 /nfs/dbraw/zinc/92/94/40/1000929440.db2.gz DQKRZKKRWAFSCO-SJCJKPOMSA-N 1 0 406.280 3.779 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000495408974 1001002362 /nfs/dbraw/zinc/00/23/62/1001002362.db2.gz VFRLCRBQNZAMJG-IAGOWNOFSA-N 1 0 423.579 3.962 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000505925342 1001105510 /nfs/dbraw/zinc/10/55/10/1001105510.db2.gz RLGQUEBXSMLXCW-ZWKOTPCHSA-N 1 0 411.506 3.507 20 5 HHBDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000506063232 1001199970 /nfs/dbraw/zinc/19/99/70/1001199970.db2.gz DBOGVHVYSDORLH-CQSZACIVSA-N 1 0 415.471 3.695 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000497313154 1001289332 /nfs/dbraw/zinc/28/93/32/1001289332.db2.gz MLPLOPAKAJESME-UHFFFAOYSA-N 1 0 414.531 3.776 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000506241329 1001300987 /nfs/dbraw/zinc/30/09/87/1001300987.db2.gz TUANCKVLEWEBQJ-GJZGRUSLSA-N 1 0 415.943 3.523 20 5 HHBDRO C[N@@H+]1C[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](c2ccccc2)C1 ZINC000497416860 1001351206 /nfs/dbraw/zinc/35/12/06/1001351206.db2.gz LJUXYCVXBGHNTR-QZTJIDSGSA-N 1 0 408.483 3.546 20 5 HHBDRO COc1cc(CN2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000506341338 1001365794 /nfs/dbraw/zinc/36/57/94/1001365794.db2.gz JWQIECYXBLMPFP-UHFFFAOYSA-N 1 0 417.428 3.605 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000506364956 1001379556 /nfs/dbraw/zinc/37/95/56/1001379556.db2.gz UDUZSLWJRZGHBU-UHFFFAOYSA-N 1 0 421.563 3.862 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000506376542 1001386409 /nfs/dbraw/zinc/38/64/09/1001386409.db2.gz FJNVVVUBYWGNAR-JKSUJKDBSA-N 1 0 412.490 3.575 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000506467710 1001426083 /nfs/dbraw/zinc/42/60/83/1001426083.db2.gz ANPPGTIWOBOKNK-UHFFFAOYSA-N 1 0 401.438 3.778 20 5 HHBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497649816 1001472314 /nfs/dbraw/zinc/47/23/14/1001472314.db2.gz XYHPLYPKRAKXOP-UHFFFAOYSA-N 1 0 415.515 3.570 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)c(C)c2)CC1 ZINC000497779946 1001512190 /nfs/dbraw/zinc/51/21/90/1001512190.db2.gz MQBAUNDQXHHCOR-UHFFFAOYSA-N 1 0 419.485 3.846 20 5 HHBDRO CCNc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000497877612 1001547108 /nfs/dbraw/zinc/54/71/08/1001547108.db2.gz XIYHQPVLMUVNNA-UHFFFAOYSA-N 1 0 406.433 3.509 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000497985721 1001591687 /nfs/dbraw/zinc/59/16/87/1001591687.db2.gz WPKLWDQZSZWOFP-HKUYNNGSSA-N 1 0 417.531 3.749 20 5 HHBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000498110829 1001645053 /nfs/dbraw/zinc/64/50/53/1001645053.db2.gz FFAXQXIRFMKIDR-QGZVFWFLSA-N 1 0 422.938 3.989 20 5 HHBDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498168646 1001672025 /nfs/dbraw/zinc/67/20/25/1001672025.db2.gz JCOTVIAUHUCZSJ-OAHLLOKOSA-N 1 0 410.499 3.847 20 5 HHBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000498188197 1001680070 /nfs/dbraw/zinc/68/00/70/1001680070.db2.gz PNBXQALMPCUAKU-UHFFFAOYSA-N 1 0 416.481 3.806 20 5 HHBDRO CCc1cc(N2CC[NH+](Cc3cccs3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507122794 1001821672 /nfs/dbraw/zinc/82/16/72/1001821672.db2.gz VMAYOGURGPUUQK-UHFFFAOYSA-N 1 0 409.515 3.998 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000498409254 1001837727 /nfs/dbraw/zinc/83/77/27/1001837727.db2.gz KDFHJYINUVEDPB-SJLPKXTDSA-N 1 0 404.470 3.926 20 5 HHBDRO CCCC[N@H+](C)CC1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000498472557 1001900873 /nfs/dbraw/zinc/90/08/73/1001900873.db2.gz UENNKEWXIGWRBZ-UHFFFAOYSA-N 1 0 410.946 3.944 20 5 HHBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000498491391 1001917661 /nfs/dbraw/zinc/91/76/61/1001917661.db2.gz QZGCKSMOCDRQPF-LJQANCHMSA-N 1 0 402.539 3.757 20 5 HHBDRO Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1[N+](=O)[O-] ZINC000507235518 1001921400 /nfs/dbraw/zinc/92/14/00/1001921400.db2.gz MRCWMEVGPQHWPW-NRFANRHFSA-N 1 0 423.513 3.562 20 5 HHBDRO O=C(Nc1cccc(F)c1)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000507296137 1001980024 /nfs/dbraw/zinc/98/00/24/1001980024.db2.gz LCWIXQIANGZASM-UHFFFAOYSA-N 1 0 401.438 3.854 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC(CC[NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000498605258 1002009562 /nfs/dbraw/zinc/00/95/62/1002009562.db2.gz ZAVOXQWNEFNENK-QGZVFWFLSA-N 1 0 402.539 3.635 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000507377249 1002033591 /nfs/dbraw/zinc/03/35/91/1002033591.db2.gz IAWNXNVCPKHXDY-UHFFFAOYSA-N 1 0 400.479 3.687 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CC[N@@H+](C)CC[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000498713024 1002096067 /nfs/dbraw/zinc/09/60/67/1002096067.db2.gz ZNXWUURJBJQNJY-CYBMUJFWSA-N 1 0 406.533 3.677 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 ZINC000498734660 1002117615 /nfs/dbraw/zinc/11/76/15/1002117615.db2.gz SOGBBHZYXQVMHR-GOSISDBHSA-N 1 0 414.462 3.890 20 5 HHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000507624652 1002229295 /nfs/dbraw/zinc/22/92/95/1002229295.db2.gz LGAUSKOZLLBOFL-HNAYVOBHSA-N 1 0 409.465 3.918 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCC(=O)NCc2cccnc2)cc1[N+](=O)[O-] ZINC000507904165 1002438155 /nfs/dbraw/zinc/43/81/55/1002438155.db2.gz OVEVVMUIEVMPBW-UHFFFAOYSA-N 1 0 419.485 3.554 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NCCC[N@@H+](C)C(C)C)cc2[N+](=O)[O-])n1 ZINC000499184111 1002574480 /nfs/dbraw/zinc/57/44/80/1002574480.db2.gz QHYVWLTWMLRGHK-UHFFFAOYSA-N 1 0 408.549 3.971 20 5 HHBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000499652233 1003013629 /nfs/dbraw/zinc/01/36/29/1003013629.db2.gz GRBPGFWPWUGKFL-UHFFFAOYSA-N 1 0 423.517 3.579 20 5 HHBDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000508603594 1003059125 /nfs/dbraw/zinc/05/91/25/1003059125.db2.gz JOZLGQNANQAVET-FUHWJXTLSA-N 1 0 419.485 3.533 20 5 HHBDRO COc1ccc([C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[NH+]2CCCC2)cc1 ZINC000508777816 1003207649 /nfs/dbraw/zinc/20/76/49/1003207649.db2.gz HVDDVFGWVMUYHH-IBGZPJMESA-N 1 0 409.442 3.917 20 5 HHBDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000509067317 1003529359 /nfs/dbraw/zinc/52/93/59/1003529359.db2.gz JPBFQINLZRYLBV-IBGZPJMESA-N 1 0 400.479 3.734 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000500189857 1003535973 /nfs/dbraw/zinc/53/59/73/1003535973.db2.gz QLXBELLQUZJKIQ-UHFFFAOYSA-N 1 0 412.328 3.860 20 5 HHBDRO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000509430829 1003856941 /nfs/dbraw/zinc/85/69/41/1003856941.db2.gz NEJXPFFYWHOMPV-SFHVURJKSA-N 1 0 421.453 3.624 20 5 HHBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000512077604 1004004719 /nfs/dbraw/zinc/00/47/19/1004004719.db2.gz PXVCPBRECJRVAY-SJORKVTESA-N 1 0 411.506 3.625 20 5 HHBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000512077602 1004004933 /nfs/dbraw/zinc/00/49/33/1004004933.db2.gz PXVCPBRECJRVAY-IRXDYDNUSA-N 1 0 411.506 3.625 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1OC ZINC000500892640 1004032900 /nfs/dbraw/zinc/03/29/00/1004032900.db2.gz OGFCHJPWZSOMGY-UHFFFAOYSA-N 1 0 419.522 3.730 20 5 HHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000512145559 1004055856 /nfs/dbraw/zinc/05/58/56/1004055856.db2.gz CJMROWXFAZQJAT-NRFANRHFSA-N 1 0 410.518 3.737 20 5 HHBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000512155514 1004063705 /nfs/dbraw/zinc/06/37/05/1004063705.db2.gz IRFWHOYZDXUBPM-GOSISDBHSA-N 1 0 416.547 3.752 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000512295003 1004199062 /nfs/dbraw/zinc/19/90/62/1004199062.db2.gz MFMATOCGPUMYNO-ZDUSSCGKSA-N 1 0 420.510 3.737 20 5 HHBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000501136016 1004227466 /nfs/dbraw/zinc/22/74/66/1004227466.db2.gz AXRKZNJWTUHGDV-HXUWFJFHSA-N 1 0 402.542 3.630 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000510053782 1004292697 /nfs/dbraw/zinc/29/26/97/1004292697.db2.gz GDDJXFQOXZPFLQ-OAHLLOKOSA-N 1 0 410.312 3.756 20 5 HHBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(OC)c(OC)c1 ZINC000510199431 1004392076 /nfs/dbraw/zinc/39/20/76/1004392076.db2.gz MEKGECZLJFRQHP-KRWDZBQOSA-N 1 0 401.463 3.990 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000512575209 1004395361 /nfs/dbraw/zinc/39/53/61/1004395361.db2.gz XPFLWQAWKUBEEO-HDICACEKSA-N 1 0 402.539 3.683 20 5 HHBDRO O=C(CC[NH2+][C@H]1CCOc2c(Br)cccc21)Nc1ccccc1[N+](=O)[O-] ZINC000501550018 1004508182 /nfs/dbraw/zinc/50/81/82/1004508182.db2.gz JIRFPUWQTZLUJJ-AWEZNQCLSA-N 1 0 420.263 3.799 20 5 HHBDRO O=C(CC[NH2+][C@@H]1CCOc2c(Br)cccc21)Nc1ccccc1[N+](=O)[O-] ZINC000501550019 1004508439 /nfs/dbraw/zinc/50/84/39/1004508439.db2.gz JIRFPUWQTZLUJJ-CQSZACIVSA-N 1 0 420.263 3.799 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCNC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000512827644 1004585939 /nfs/dbraw/zinc/58/59/39/1004585939.db2.gz LRNVFLZLCJKPEM-UHFFFAOYSA-N 1 0 410.499 3.944 20 5 HHBDRO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000501766143 1004702292 /nfs/dbraw/zinc/70/22/92/1004702292.db2.gz XOLXUZBXSNDCSI-SFHVURJKSA-N 1 0 405.458 3.950 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000501771993 1004711165 /nfs/dbraw/zinc/71/11/65/1004711165.db2.gz HVZQCUBNRDLLNJ-DLBZAZTESA-N 1 0 407.474 3.740 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(C(F)(F)F)c1 ZINC000510568784 1004712994 /nfs/dbraw/zinc/71/29/94/1004712994.db2.gz HOACHEJQZYYVHL-SNVBAGLBSA-N 1 0 411.336 3.632 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)s1 ZINC000512977813 1004741505 /nfs/dbraw/zinc/74/15/05/1004741505.db2.gz SICOASKKBWXUFW-QGZVFWFLSA-N 1 0 415.437 3.676 20 5 HHBDRO C[C@@H](O)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)Cc1ccc(Cl)cc1 ZINC000501859645 1004781940 /nfs/dbraw/zinc/78/19/40/1004781940.db2.gz DPUBZUOVMFRWRC-HZPDHXFCSA-N 1 0 419.909 3.891 20 5 HHBDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)s1 ZINC000513067385 1004789374 /nfs/dbraw/zinc/78/93/74/1004789374.db2.gz DXOVAOKPPINEQG-ISESHHHUSA-N 1 0 403.508 3.665 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@]4(CCc5ccccc54)C3)o2)c1 ZINC000510676348 1004793119 /nfs/dbraw/zinc/79/31/19/1004793119.db2.gz UNCYUDJCNAXHMO-HSZRJFAPSA-N 1 0 405.454 3.966 20 5 HHBDRO C[NH+](C)[C@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000513116706 1004815468 /nfs/dbraw/zinc/81/54/68/1004815468.db2.gz JYOQKCIOPKGGJH-QFIPXVFZSA-N 1 0 405.502 3.974 20 5 HHBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)n1 ZINC000510806031 1004864454 /nfs/dbraw/zinc/86/44/54/1004864454.db2.gz FKTYFZRWKAQIRT-MRXNPFEDSA-N 1 0 402.499 3.567 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000510862866 1004897924 /nfs/dbraw/zinc/89/79/24/1004897924.db2.gz XCLQVOSYPWGJEE-IBGZPJMESA-N 1 0 404.536 3.923 20 5 HHBDRO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000513411964 1004952331 /nfs/dbraw/zinc/95/23/31/1004952331.db2.gz RTBXWJFMRQGOBG-KRWDZBQOSA-N 1 0 401.413 3.641 20 5 HHBDRO CS(=O)(=O)c1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000502335902 1005018818 /nfs/dbraw/zinc/01/88/18/1005018818.db2.gz UUGYPQFOPXMRRG-IFXJQAMLSA-N 1 0 406.479 3.638 20 5 HHBDRO C[NH+](C)Cc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000511122751 1005030330 /nfs/dbraw/zinc/03/03/30/1005030330.db2.gz GZJXBSMGLRQZPO-UHFFFAOYSA-N 1 0 410.396 3.517 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCCN(c3cccnn3)CC2)cc1[N+](=O)[O-] ZINC000513702010 1005088431 /nfs/dbraw/zinc/08/84/31/1005088431.db2.gz CMGGIKYVOPIYNK-UHFFFAOYSA-N 1 0 418.501 3.865 20 5 HHBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000502487690 1005089727 /nfs/dbraw/zinc/08/97/27/1005089727.db2.gz VSRXKNHCQSXMPG-QGZVFWFLSA-N 1 0 400.504 3.809 20 5 HHBDRO C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511288117 1005108885 /nfs/dbraw/zinc/10/88/85/1005108885.db2.gz PJIRLLBTJDLRLS-QLFBSQMISA-N 1 0 409.914 3.785 20 5 HHBDRO Cn1cc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513756179 1005111560 /nfs/dbraw/zinc/11/15/60/1005111560.db2.gz WVHIANHLBHGTGJ-UHFFFAOYSA-N 1 0 400.479 3.549 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(S(C)(=O)=O)ccc1F ZINC000502597526 1005133872 /nfs/dbraw/zinc/13/38/72/1005133872.db2.gz VNXWADWGRNHSBY-CQSZACIVSA-N 1 0 412.508 3.798 20 5 HHBDRO CC[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000514093223 1005261980 /nfs/dbraw/zinc/26/19/80/1005261980.db2.gz IGNJQOSZXKFHRB-GMAHTHKFSA-N 1 0 419.529 3.844 20 5 HHBDRO COc1ccc(CCC[N@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000511725834 1005294109 /nfs/dbraw/zinc/29/41/09/1005294109.db2.gz WZBBVSISMZWSOF-HNNXBMFYSA-N 1 0 401.463 3.504 20 5 HHBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511801284 1005335083 /nfs/dbraw/zinc/33/50/83/1005335083.db2.gz GRWSJTPLRNKVDQ-XZOQPEGZSA-N 1 0 416.481 3.696 20 5 HHBDRO Cn1cc([N+](=O)[O-])c(C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)n1 ZINC000503068846 1005336441 /nfs/dbraw/zinc/33/64/41/1005336441.db2.gz MTXNILZKGGNAQI-UHFFFAOYSA-N 1 0 421.501 3.512 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503407099 1005410673 /nfs/dbraw/zinc/41/06/73/1005410673.db2.gz NSAWSAFYLXNZNM-UHFFFAOYSA-N 1 0 408.502 3.759 20 5 HHBDRO CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000504416153 1005622867 /nfs/dbraw/zinc/62/28/67/1005622867.db2.gz NFFQQHXVNPKDGC-KRWDZBQOSA-N 1 0 411.506 3.564 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H]1c1ccccc1 ZINC000534019288 1005990321 /nfs/dbraw/zinc/99/03/21/1005990321.db2.gz OTBUIJORZNSPBI-SQJMNOBHSA-N 1 0 411.505 3.716 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000514576728 1006044144 /nfs/dbraw/zinc/04/41/44/1006044144.db2.gz KHTNNZSLYVWJSU-NRFANRHFSA-N 1 0 411.502 3.806 20 5 HHBDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000531217235 1006053079 /nfs/dbraw/zinc/05/30/79/1006053079.db2.gz RMVPZJFGBSKOPU-UHFFFAOYSA-N 1 0 406.389 3.755 20 5 HHBDRO COc1cc(CC[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)c([N+](=O)[O-])cc1OC ZINC000514702194 1006088281 /nfs/dbraw/zinc/08/82/81/1006088281.db2.gz STKSXDUHSSPQME-FQEVSTJZSA-N 1 0 410.470 3.501 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000531306500 1006106991 /nfs/dbraw/zinc/10/69/91/1006106991.db2.gz OHHDFCOFAFEBMC-LJQANCHMSA-N 1 0 400.866 3.622 20 5 HHBDRO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000531456132 1006208834 /nfs/dbraw/zinc/20/88/34/1006208834.db2.gz WKMJRKQCELHJRA-NRFANRHFSA-N 1 0 412.515 3.789 20 5 HHBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534228444 1006227151 /nfs/dbraw/zinc/22/71/51/1006227151.db2.gz PZVCRUCYVQLHAG-IBGZPJMESA-N 1 0 422.529 3.910 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1O ZINC000534239800 1006245417 /nfs/dbraw/zinc/24/54/17/1006245417.db2.gz GMBZOLYLUSMDDK-RBZFPXEDSA-N 1 0 423.872 3.884 20 5 HHBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1 ZINC000534248333 1006254955 /nfs/dbraw/zinc/25/49/55/1006254955.db2.gz VVOLDAYYWVIBGK-UHFFFAOYSA-N 1 0 410.474 3.727 20 5 HHBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534359111 1006321287 /nfs/dbraw/zinc/32/12/87/1006321287.db2.gz FSVIIBYYSVSFDD-WOJBJXKFSA-N 1 0 422.957 3.657 20 5 HHBDRO C[NH+](C)CCOc1cnccc1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000515564800 1006539432 /nfs/dbraw/zinc/53/94/32/1006539432.db2.gz RKCQLTAJVXFXNE-UHFFFAOYSA-N 1 0 400.482 3.653 20 5 HHBDRO C[C@H]1CN([C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c2c(F)cccc2Cl)CCO1 ZINC000538332246 1006599542 /nfs/dbraw/zinc/59/95/42/1006599542.db2.gz FAOKDERBVXZNLF-IFXJQAMLSA-N 1 0 407.873 3.939 20 5 HHBDRO O=C(C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000538391524 1006661542 /nfs/dbraw/zinc/66/15/42/1006661542.db2.gz HDVJJRAQZDIIHB-HXUWFJFHSA-N 1 0 417.849 3.699 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@@]2(CCO)CCOC2)cc1 ZINC000532139803 1006666934 /nfs/dbraw/zinc/66/69/34/1006666934.db2.gz ZNWZQWOLXVEBGS-HXUWFJFHSA-N 1 0 406.866 3.919 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000538425766 1006692542 /nfs/dbraw/zinc/69/25/42/1006692542.db2.gz AKMWEZMACVHGAY-OALUTQOASA-N 1 0 403.523 3.785 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cnc4ccc(Br)cn34)c2c1 ZINC000515908065 1006753922 /nfs/dbraw/zinc/75/39/22/1006753922.db2.gz WPHGAOLVBFHADN-UHFFFAOYSA-N 1 0 414.263 3.819 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000532328802 1006796190 /nfs/dbraw/zinc/79/61/90/1006796190.db2.gz NDHQDLCLTBBBNZ-GOSISDBHSA-N 1 0 408.458 3.553 20 5 HHBDRO C[C@@H](CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[S@@](C)=O ZINC000532468277 1006907203 /nfs/dbraw/zinc/90/72/03/1006907203.db2.gz LUCXBAVDCQHMJC-APXPCNQMSA-N 1 0 415.309 3.864 20 5 HHBDRO CC(C)Cc1ccc(C(=O)C2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000532471321 1006910734 /nfs/dbraw/zinc/91/07/34/1006910734.db2.gz IXEQOJKHNKCHTD-UHFFFAOYSA-N 1 0 423.513 3.987 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H]4CCC[NH2+][C@@H]4C3)o2)c(Br)c1 ZINC000538736187 1007018898 /nfs/dbraw/zinc/01/88/98/1007018898.db2.gz GYEWAGQAOSUASM-YVEFUNNKSA-N 1 0 406.280 3.801 20 5 HHBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(-c3ccc(OC)cc3[N+](=O)[O-])o1)CC2 ZINC000538737272 1007019475 /nfs/dbraw/zinc/01/94/75/1007019475.db2.gz SPIXWJWXSQMFIA-NHCUHLMSSA-N 1 0 416.474 3.615 20 5 HHBDRO O=C([C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N1CCOCC1 ZINC000538739428 1007022738 /nfs/dbraw/zinc/02/27/38/1007022738.db2.gz GMSZUBFTHKZXCZ-IBGZPJMESA-N 1 0 415.515 3.537 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000535003902 1007061978 /nfs/dbraw/zinc/06/19/78/1007061978.db2.gz OPHLRNNIUAGJPV-UHFFFAOYSA-N 1 0 409.552 3.526 20 5 HHBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000516400776 1007062554 /nfs/dbraw/zinc/06/25/54/1007062554.db2.gz ZRWWKXLEUIPIBE-UHFFFAOYSA-N 1 0 408.502 3.811 20 5 HHBDRO Cc1nn(CCC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)c(C)c1[N+](=O)[O-] ZINC000538795801 1007076537 /nfs/dbraw/zinc/07/65/37/1007076537.db2.gz XBRPZVZIJFZANZ-UHFFFAOYSA-N 1 0 413.522 3.711 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000538826230 1007099166 /nfs/dbraw/zinc/09/91/66/1007099166.db2.gz XWNMWEQLWVMORJ-UHFFFAOYSA-N 1 0 420.517 3.749 20 5 HHBDRO O=C(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cc(Cl)ccc1Cl ZINC000532704990 1007119171 /nfs/dbraw/zinc/11/91/71/1007119171.db2.gz ZLTYVYICAATWKC-ZDUSSCGKSA-N 1 0 424.288 3.812 20 5 HHBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 ZINC000532866803 1007254020 /nfs/dbraw/zinc/25/40/20/1007254020.db2.gz UQZKZWAPFNYHQD-UHFFFAOYSA-N 1 0 406.421 3.573 20 5 HHBDRO Cn1cc([C@@H](CO)NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cn1 ZINC000535248565 1007300422 /nfs/dbraw/zinc/30/04/22/1007300422.db2.gz WIJBXLJZWXTZFG-MRXNPFEDSA-N 1 0 402.838 3.597 20 5 HHBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535249115 1007301060 /nfs/dbraw/zinc/30/10/60/1007301060.db2.gz WNGPEIDUODUWIG-UHFFFAOYSA-N 1 0 408.502 3.849 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000539050940 1007348523 /nfs/dbraw/zinc/34/85/23/1007348523.db2.gz UKNHQWGEICJBBM-STQMWFEESA-N 1 0 405.442 3.608 20 5 HHBDRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1OC ZINC000539072782 1007364117 /nfs/dbraw/zinc/36/41/17/1007364117.db2.gz SWEBDDYPGNIFAN-OAHLLOKOSA-N 1 0 413.474 3.567 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000539075433 1007365895 /nfs/dbraw/zinc/36/58/95/1007365895.db2.gz GLAMEVGPRUFZJP-INIZCTEOSA-N 1 0 405.520 3.785 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)CC(F)(F)F)CC1 ZINC000539081237 1007371703 /nfs/dbraw/zinc/37/17/03/1007371703.db2.gz ZXWXLPVCNQLQCE-CYBMUJFWSA-N 1 0 419.469 3.999 20 5 HHBDRO CC[N@H+](CCC1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000539114125 1007401416 /nfs/dbraw/zinc/40/14/16/1007401416.db2.gz UNKSJWQHTSDIEM-UHFFFAOYSA-N 1 0 411.568 3.505 20 5 HHBDRO O=C(CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000533081156 1007443361 /nfs/dbraw/zinc/44/33/61/1007443361.db2.gz NPLFBDNLWJOCAV-UHFFFAOYSA-N 1 0 422.485 3.715 20 5 HHBDRO C[C@@H]1C[C@H](CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000535409841 1007478888 /nfs/dbraw/zinc/47/88/88/1007478888.db2.gz SFGXJNNVOZXYEB-NQIIRXRSSA-N 1 0 410.518 3.737 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000539238761 1007531848 /nfs/dbraw/zinc/53/18/48/1007531848.db2.gz HUBIIHYPFFMMHA-OAHLLOKOSA-N 1 0 412.490 3.679 20 5 HHBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000539251227 1007543432 /nfs/dbraw/zinc/54/34/32/1007543432.db2.gz LNNUCGMUJTZANQ-CQSZACIVSA-N 1 0 409.389 3.884 20 5 HHBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000539276937 1007571266 /nfs/dbraw/zinc/57/12/66/1007571266.db2.gz PNHYHYOFBCSCSY-CQSZACIVSA-N 1 0 405.838 3.699 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000533260119 1007576568 /nfs/dbraw/zinc/57/65/68/1007576568.db2.gz YLHXXQMLLYXCTK-RBUKOAKNSA-N 1 0 402.539 3.674 20 5 HHBDRO CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000533269910 1007584909 /nfs/dbraw/zinc/58/49/09/1007584909.db2.gz BTCSSSLRVHQYHP-NQIIRXRSSA-N 1 0 410.518 3.999 20 5 HHBDRO COc1cccc([C@H](CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000539297193 1007594838 /nfs/dbraw/zinc/59/48/38/1007594838.db2.gz HNXQMSGHYPQHJY-IERDGZPVSA-N 1 0 412.490 3.801 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535670124 1007688308 /nfs/dbraw/zinc/68/83/08/1007688308.db2.gz AGLNGQVULOVQLD-YWZLYKJASA-N 1 0 405.857 3.739 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535670123 1007688329 /nfs/dbraw/zinc/68/83/29/1007688329.db2.gz AGLNGQVULOVQLD-QRWLVFNGSA-N 1 0 405.857 3.739 20 5 HHBDRO COc1ccc(NC(=O)CC[NH+]2CCC(OC3CCC(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000533420393 1007729815 /nfs/dbraw/zinc/72/98/15/1007729815.db2.gz JBUPTLGHUYGFMC-UHFFFAOYSA-N 1 0 419.522 3.992 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCC(Oc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000533435710 1007749297 /nfs/dbraw/zinc/74/92/97/1007749297.db2.gz YOYSYAGNIDWLGQ-UHFFFAOYSA-N 1 0 401.438 3.914 20 5 HHBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000535729787 1007760990 /nfs/dbraw/zinc/76/09/90/1007760990.db2.gz OSNUBGHRZBPDQF-UHFFFAOYSA-N 1 0 405.458 3.523 20 5 HHBDRO O=C(CC(F)(F)F)N1CCC([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000517548587 1007764061 /nfs/dbraw/zinc/76/40/61/1007764061.db2.gz VYAQHTBEMWVWES-UHFFFAOYSA-N 1 0 411.380 3.888 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000539475690 1007786568 /nfs/dbraw/zinc/78/65/68/1007786568.db2.gz PTLJLWRHHXJFLO-UHFFFAOYSA-N 1 0 417.531 3.762 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000535777533 1007787182 /nfs/dbraw/zinc/78/71/82/1007787182.db2.gz GLUPBZKJSATFCN-NQIIRXRSSA-N 1 0 412.534 3.633 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000533483320 1007792365 /nfs/dbraw/zinc/79/23/65/1007792365.db2.gz RKZBVWTWIYBQLK-MRXNPFEDSA-N 1 0 405.495 3.676 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539488657 1007798710 /nfs/dbraw/zinc/79/87/10/1007798710.db2.gz LMPPDJORBRCXEQ-LJQANCHMSA-N 1 0 411.502 3.978 20 5 HHBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000535802916 1007810739 /nfs/dbraw/zinc/81/07/39/1007810739.db2.gz RMSGZFFBIXYBAQ-CVEARBPZSA-N 1 0 402.495 3.808 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000517770753 1007954423 /nfs/dbraw/zinc/95/44/23/1007954423.db2.gz LNKIZTMXJJQJIA-SFHVURJKSA-N 1 0 410.518 3.869 20 5 HHBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1C(F)(F)F ZINC000533787451 1008110585 /nfs/dbraw/zinc/11/05/85/1008110585.db2.gz GNFGHAGZIWRFLQ-UHFFFAOYSA-N 1 0 415.334 3.705 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)[C@@H]1c1cccs1 ZINC000533864634 1008167210 /nfs/dbraw/zinc/16/72/10/1008167210.db2.gz QGKCCRKXIRYIIV-FOIQADDNSA-N 1 0 414.531 3.807 20 5 HHBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000533906560 1008197095 /nfs/dbraw/zinc/19/70/95/1008197095.db2.gz SZUANUDMSZBQSB-OAHLLOKOSA-N 1 0 412.515 3.709 20 5 HHBDRO CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000539969975 1008213460 /nfs/dbraw/zinc/21/34/60/1008213460.db2.gz FXKPMZKTPKSFGN-UHFFFAOYSA-N 1 0 406.433 3.735 20 5 HHBDRO COc1ccc(CSCC(=O)Nc2cc(C)cc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000533968044 1008239591 /nfs/dbraw/zinc/23/95/91/1008239591.db2.gz YPAHZYRBBNEFRF-UHFFFAOYSA-N 1 0 403.504 3.845 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518289126 1008241014 /nfs/dbraw/zinc/24/10/14/1008241014.db2.gz WMOSEOLPHVHRGN-UHFFFAOYSA-N 1 0 424.270 3.700 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000540047886 1008257375 /nfs/dbraw/zinc/25/73/75/1008257375.db2.gz PEGJFFQZAUTSKK-UHFFFAOYSA-N 1 0 423.469 3.792 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1C ZINC000518318390 1008258582 /nfs/dbraw/zinc/25/85/82/1008258582.db2.gz UPHXAFRCZZABDE-MRXNPFEDSA-N 1 0 405.520 3.619 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000540161938 1008317168 /nfs/dbraw/zinc/31/71/68/1008317168.db2.gz COIZLDBVFARAJD-NSHDSACASA-N 1 0 413.261 3.682 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000518620655 1008367866 /nfs/dbraw/zinc/36/78/66/1008367866.db2.gz VVCSOWKXGWFGDC-HKUYNNGSSA-N 1 0 400.523 3.532 20 5 HHBDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000518657378 1008381978 /nfs/dbraw/zinc/38/19/78/1008381978.db2.gz MATJWOQGKNLEHW-UHFFFAOYSA-N 1 0 411.911 3.569 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1OC ZINC000540365263 1008401555 /nfs/dbraw/zinc/40/15/55/1008401555.db2.gz JRJBSZPUZCKBMH-AWEZNQCLSA-N 1 0 415.446 3.651 20 5 HHBDRO C[C@@H]1CN([C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)c2c(F)cccc2Cl)CCO1 ZINC000518765658 1008416476 /nfs/dbraw/zinc/41/64/76/1008416476.db2.gz VFYLHJFZZVNSJG-AUUYWEPGSA-N 1 0 407.873 3.939 20 5 HHBDRO CCOc1cc(C[NH2+]C2(C)CCCC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000518772584 1008417507 /nfs/dbraw/zinc/41/75/07/1008417507.db2.gz NNWMLDGIWWKYDV-UHFFFAOYSA-N 1 0 402.495 4.000 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])c1 ZINC000540433485 1008431870 /nfs/dbraw/zinc/43/18/70/1008431870.db2.gz RZKHJTVFZBKDMV-HNNXBMFYSA-N 1 0 406.442 3.955 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518891898 1008461574 /nfs/dbraw/zinc/46/15/74/1008461574.db2.gz PTIBHVGFPJJWKI-UHFFFAOYSA-N 1 0 424.482 3.650 20 5 HHBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000519089222 1008527394 /nfs/dbraw/zinc/52/73/94/1008527394.db2.gz BPHSNQHQQQZSKQ-MRXNPFEDSA-N 1 0 407.474 3.640 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000543023131 1008603953 /nfs/dbraw/zinc/60/39/53/1008603953.db2.gz CTDFEPKFVXWJNH-UHFFFAOYSA-N 1 0 413.522 3.755 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccc(-c3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)cc2)C[C@@H](C)O1 ZINC000545552124 1008650379 /nfs/dbraw/zinc/65/03/79/1008650379.db2.gz CVSBCAYTKQMRAX-ZIAGYGMSSA-N 1 0 409.446 3.503 20 5 HHBDRO Cc1ccc(CN(Cc2ccco2)C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000543131590 1008705513 /nfs/dbraw/zinc/70/55/13/1008705513.db2.gz QUTBDHIHXISKFZ-INIZCTEOSA-N 1 0 402.472 4.000 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000543138166 1008710404 /nfs/dbraw/zinc/71/04/04/1008710404.db2.gz CENOFNVIRUELLS-MRXNPFEDSA-N 1 0 421.291 3.766 20 5 HHBDRO COc1cccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c1OCc1ccccc1F ZINC000549171052 1008744066 /nfs/dbraw/zinc/74/40/66/1008744066.db2.gz MOLWRJFAMHXFNQ-UHFFFAOYSA-N 1 0 414.437 3.650 20 5 HHBDRO COC(=O)c1cc(-c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)cc([N+](=O)[O-])c1 ZINC000545680827 1008773916 /nfs/dbraw/zinc/77/39/16/1008773916.db2.gz MUPOQAXIRZKSDJ-UHFFFAOYSA-N 1 0 408.414 3.694 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000519500575 1008872363 /nfs/dbraw/zinc/87/23/63/1008872363.db2.gz LEEKKOXWERVZFN-UHFFFAOYSA-N 1 0 420.510 3.539 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c1 ZINC000549342518 1008921502 /nfs/dbraw/zinc/92/15/02/1008921502.db2.gz VAWGXQQJMUUNSB-UHFFFAOYSA-N 1 0 407.854 3.840 20 5 HHBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549396447 1008980622 /nfs/dbraw/zinc/98/06/22/1008980622.db2.gz KPMHMZHZGXAUBA-LJQANCHMSA-N 1 0 420.517 3.832 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H]2CCc2ccccc2)cc1 ZINC000545949147 1009014424 /nfs/dbraw/zinc/01/44/24/1009014424.db2.gz SWLWKEPTPYPECD-GHTZIAJQSA-N 1 0 402.516 3.760 20 5 HHBDRO COC(=O)C[C@@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000543461313 1009047584 /nfs/dbraw/zinc/04/75/84/1009047584.db2.gz YPRDQWGIRRKANA-CXAGYDPISA-N 1 0 402.451 3.807 20 5 HHBDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3cc(OC)c(F)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000549471429 1009066248 /nfs/dbraw/zinc/06/62/48/1009066248.db2.gz JDOJNEYHTHOEPB-UGKGYDQZSA-N 1 0 415.465 3.819 20 5 HHBDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)CCN2C2CC2)c1 ZINC000549476702 1009073863 /nfs/dbraw/zinc/07/38/63/1009073863.db2.gz OPMSBDGQDYVPMW-GCJKJVERSA-N 1 0 408.458 3.812 20 5 HHBDRO C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000520002431 1009155310 /nfs/dbraw/zinc/15/53/10/1009155310.db2.gz BHOAXIPQQHNIOQ-CABCVRRESA-N 1 0 417.893 3.579 20 5 HHBDRO Cn1cc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cn1 ZINC000549551538 1009169272 /nfs/dbraw/zinc/16/92/72/1009169272.db2.gz ZOEPXVMVBZJXQM-UHFFFAOYSA-N 1 0 405.252 3.683 20 5 HHBDRO O=[N+]([O-])c1cc2c(cc1Cc1nc(-c3ccc(C[NH+]4CCCC4)cc3)no1)OCCO2 ZINC000546234518 1009259003 /nfs/dbraw/zinc/25/90/03/1009259003.db2.gz LSZPQIJWFLROJZ-UHFFFAOYSA-N 1 0 422.441 3.603 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000543748580 1009328218 /nfs/dbraw/zinc/32/82/18/1009328218.db2.gz YKLACSBNVGQKGB-WMZOPIPTSA-N 1 0 400.475 3.775 20 5 HHBDRO COc1cccc(C2(C[NH2+][C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CCCC2)c1 ZINC000520226597 1009351866 /nfs/dbraw/zinc/35/18/66/1009351866.db2.gz DAKAZYIPZNWNNX-OAQYLSRUSA-N 1 0 409.486 3.810 20 5 HHBDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCCC1)c1ccccc1 ZINC000520267131 1009384221 /nfs/dbraw/zinc/38/42/21/1009384221.db2.gz WMZDYFATUPLYDK-QGZVFWFLSA-N 1 0 417.531 3.678 20 5 HHBDRO COC(=O)c1cc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(C)c1[N+](=O)[O-] ZINC000520268415 1009386417 /nfs/dbraw/zinc/38/64/17/1009386417.db2.gz LWTIRNLHJWQFKI-QHCPKHFHSA-N 1 0 409.486 3.792 20 5 HHBDRO C[NH+](C)CCOc1cccc(-c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000546380107 1009388449 /nfs/dbraw/zinc/38/84/49/1009388449.db2.gz CVYLKWYDKLNQBQ-UHFFFAOYSA-N 1 0 404.373 3.725 20 5 HHBDRO COc1ccc(OCC[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c([N+](=O)[O-])c1 ZINC000549798017 1009405219 /nfs/dbraw/zinc/40/52/19/1009405219.db2.gz QFOWCADPNPBRHS-UHFFFAOYSA-N 1 0 404.438 3.503 20 5 HHBDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543860292 1009427566 /nfs/dbraw/zinc/42/75/66/1009427566.db2.gz SSKFRFILEYYRDL-CYBMUJFWSA-N 1 0 407.820 3.871 20 5 HHBDRO COc1cc(C[NH+]2CCC(C)(CO)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000546578001 1009601417 /nfs/dbraw/zinc/60/14/17/1009601417.db2.gz YWQOXVYCYQUFNI-UHFFFAOYSA-N 1 0 400.475 3.777 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000550239578 1009797797 /nfs/dbraw/zinc/79/77/97/1009797797.db2.gz WBHLGSNZCCBEFH-HTAPYJJXSA-N 1 0 405.539 3.946 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000544221538 1009829658 /nfs/dbraw/zinc/82/96/58/1009829658.db2.gz QBXNNQJQGKSSTB-UHFFFAOYSA-N 1 0 412.490 3.954 20 5 HHBDRO CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546889107 1009849543 /nfs/dbraw/zinc/84/95/43/1009849543.db2.gz PPDZFFBZJYPTDS-QGZVFWFLSA-N 1 0 419.428 3.933 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2cn(CCOC)nc21 ZINC000546934928 1009894225 /nfs/dbraw/zinc/89/42/25/1009894225.db2.gz FELUNFOFLUQEDI-IRXDYDNUSA-N 1 0 404.536 3.976 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000544369148 1009997848 /nfs/dbraw/zinc/99/78/48/1009997848.db2.gz HAKZMWYRISZZGF-GFCCVEGCSA-N 1 0 422.279 3.873 20 5 HHBDRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c(C)c2c1 ZINC000544475692 1010098179 /nfs/dbraw/zinc/09/81/79/1010098179.db2.gz ZFXHKTOCVOEORA-CYBMUJFWSA-N 1 0 413.430 3.956 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000544534067 1010164536 /nfs/dbraw/zinc/16/45/36/1010164536.db2.gz ULMSKPBLKKBJSX-YWZLYKJASA-N 1 0 415.465 3.799 20 5 HHBDRO O=C(CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1 ZINC000544600418 1010226886 /nfs/dbraw/zinc/22/68/86/1010226886.db2.gz UAHFYQOIRLCKMC-HYXAFXHYSA-N 1 0 404.264 3.989 20 5 HHBDRO COc1cc(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000521319496 1010301837 /nfs/dbraw/zinc/30/18/37/1010301837.db2.gz XIZCPIXNNPYEGZ-ZDUSSCGKSA-N 1 0 418.412 3.936 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]CCC1(O)CCC1)c1ccccc1 ZINC000551000979 1010309375 /nfs/dbraw/zinc/30/93/75/1010309375.db2.gz BFWYRGIHMNKLMC-GOSISDBHSA-N 1 0 403.866 3.823 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000544745882 1010349925 /nfs/dbraw/zinc/34/99/25/1010349925.db2.gz IUVDRIUBMUYFCD-PXNSSMCTSA-N 1 0 417.531 3.582 20 5 HHBDRO CS[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1[NH+](C)C ZINC000544790411 1010386131 /nfs/dbraw/zinc/38/61/31/1010386131.db2.gz IZBSFWFODZNNAX-RBUKOAKNSA-N 1 0 416.503 3.896 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000521501075 1010415674 /nfs/dbraw/zinc/41/56/74/1010415674.db2.gz XGNXUAYIKHDBHF-CZUORRHYSA-N 1 0 409.870 3.808 20 5 HHBDRO CCc1nncn1CC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000547789743 1010428009 /nfs/dbraw/zinc/42/80/09/1010428009.db2.gz JYDKVUVNIPNUPA-UHFFFAOYSA-N 1 0 401.854 3.984 20 5 HHBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544847915 1010433072 /nfs/dbraw/zinc/43/30/72/1010433072.db2.gz QAYGRLYWUHNXGV-KRWDZBQOSA-N 1 0 419.428 3.933 20 5 HHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000521584327 1010481386 /nfs/dbraw/zinc/48/13/86/1010481386.db2.gz METHCYKQZFCBDC-AWEZNQCLSA-N 1 0 405.882 3.784 20 5 HHBDRO CSc1ccc(-c2nc(-c3ccc(OCC[NH+](C)C)cc3)no2)cc1[N+](=O)[O-] ZINC000544974903 1010531044 /nfs/dbraw/zinc/53/10/44/1010531044.db2.gz RVPYEPLPYGPHDQ-UHFFFAOYSA-N 1 0 400.460 3.974 20 5 HHBDRO CN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1Cc1ccccc1 ZINC000551401441 1010562590 /nfs/dbraw/zinc/56/25/90/1010562590.db2.gz FYVYYRVIPBWDMH-NRFANRHFSA-N 1 0 406.486 3.651 20 5 HHBDRO Cc1noc(C)c1CO[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000545170507 1010667530 /nfs/dbraw/zinc/66/75/30/1010667530.db2.gz JMKPPRRPYGLXRZ-SFHVURJKSA-N 1 0 412.446 3.688 20 5 HHBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000545350396 1010744147 /nfs/dbraw/zinc/74/41/47/1010744147.db2.gz PWOHMJQARJBGPP-FCHUYYIVSA-N 1 0 422.485 3.731 20 5 HHBDRO CC(C)C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000545354085 1010746856 /nfs/dbraw/zinc/74/68/56/1010746856.db2.gz TXPONMNOFMBHPQ-PXNSSMCTSA-N 1 0 419.547 3.780 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000522107393 1010815808 /nfs/dbraw/zinc/81/58/08/1010815808.db2.gz QHAXFGDZFKTHDP-MRXNPFEDSA-N 1 0 422.407 3.616 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000522703161 1011167192 /nfs/dbraw/zinc/16/71/92/1011167192.db2.gz ITOPEZKHXUUGDJ-DLBZAZTESA-N 1 0 423.941 3.986 20 5 HHBDRO CN(C(=O)C[NH2+][C@H](COc1ccccc1F)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000540590799 1011247718 /nfs/dbraw/zinc/24/77/18/1011247718.db2.gz TULSENOIPZZIKT-LJQANCHMSA-N 1 0 403.454 3.780 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000536171773 1011303096 /nfs/dbraw/zinc/30/30/96/1011303096.db2.gz RUBIXBIDTJJSSL-UHFFFAOYSA-N 1 0 406.486 3.742 20 5 HHBDRO O=[N+]([O-])c1cc(I)ccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000523087720 1011558132 /nfs/dbraw/zinc/55/81/32/1011558132.db2.gz WJQZUYOVTKXWGN-UHFFFAOYSA-N 1 0 415.275 3.654 20 5 HHBDRO CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541027795 1011663737 /nfs/dbraw/zinc/66/37/37/1011663737.db2.gz DEHSIFSREIQKHD-INIZCTEOSA-N 1 0 405.401 3.543 20 5 HHBDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]2C ZINC000541059690 1011699254 /nfs/dbraw/zinc/69/92/54/1011699254.db2.gz NLJRPGNHELHLLH-HUUCEWRRSA-N 1 0 413.474 3.948 20 5 HHBDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]2C ZINC000541059691 1011699869 /nfs/dbraw/zinc/69/98/69/1011699869.db2.gz NLJRPGNHELHLLH-LSDHHAIUSA-N 1 0 413.474 3.948 20 5 HHBDRO CCN(CC)C(=O)CCC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000541086923 1011729633 /nfs/dbraw/zinc/72/96/33/1011729633.db2.gz XEHVBZGVTGOYKQ-UHFFFAOYSA-N 1 0 418.538 3.592 20 5 HHBDRO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000536659371 1011807890 /nfs/dbraw/zinc/80/78/90/1011807890.db2.gz YQFKCVPGEJPUNR-UHFFFAOYSA-N 1 0 424.545 3.511 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000536697163 1011864421 /nfs/dbraw/zinc/86/44/21/1011864421.db2.gz MAXHBPJWTGRLDS-CQSZACIVSA-N 1 0 418.412 3.793 20 5 HHBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cccc1[N+](=O)[O-] ZINC000551817997 1011974925 /nfs/dbraw/zinc/97/49/25/1011974925.db2.gz OJWOYIOEZFHVIA-WNSKOXEYSA-N 1 0 422.485 3.979 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cccc1[N+](=O)[O-] ZINC000551817995 1011975717 /nfs/dbraw/zinc/97/57/17/1011975717.db2.gz OJWOYIOEZFHVIA-IQMFZBJNSA-N 1 0 422.485 3.979 20 5 HHBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000523486715 1012004117 /nfs/dbraw/zinc/00/41/17/1012004117.db2.gz GNUCFCGSDQAKSF-CYBMUJFWSA-N 1 0 412.328 3.988 20 5 HHBDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000541314102 1012022189 /nfs/dbraw/zinc/02/21/89/1012022189.db2.gz YXVXBMJGFQIGCB-KXBFYZLASA-N 1 0 411.458 3.985 20 5 HHBDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000536805751 1012027077 /nfs/dbraw/zinc/02/70/77/1012027077.db2.gz JTTVLUYORRPCJL-INIZCTEOSA-N 1 0 403.504 3.620 20 5 HHBDRO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000523522888 1012048701 /nfs/dbraw/zinc/04/87/01/1012048701.db2.gz HTWYCTRYCSXPIF-OLZOCXBDSA-N 1 0 405.476 3.819 20 5 HHBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(-c3ccccc3[N+](=O)[O-])s1)CC2 ZINC000536843643 1012073880 /nfs/dbraw/zinc/07/38/80/1012073880.db2.gz DMIGPFDXZJESCO-UONOGXRCSA-N 1 0 413.503 3.727 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000552076603 1012094050 /nfs/dbraw/zinc/09/40/50/1012094050.db2.gz ZWNFRMFOAXDTTM-JXFKEZNVSA-N 1 0 400.475 3.918 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000536871151 1012110041 /nfs/dbraw/zinc/11/00/41/1012110041.db2.gz OJXQEESLRKIVOT-IBGZPJMESA-N 1 0 410.518 3.683 20 5 HHBDRO Cc1ccc(NS(=O)(=O)c2ccc(NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000523579360 1012128726 /nfs/dbraw/zinc/12/87/26/1012128726.db2.gz YCBZFQPNWHEFDX-UHFFFAOYSA-N 1 0 420.535 3.765 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000552223223 1012235717 /nfs/dbraw/zinc/23/57/17/1012235717.db2.gz GLUUBWGISBWNFY-HSZRJFAPSA-N 1 0 419.529 3.980 20 5 HHBDRO Cn1ccnc1[C@@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552223997 1012236398 /nfs/dbraw/zinc/23/63/98/1012236398.db2.gz BCMKZATXQQULKT-IRLDBZIGSA-N 1 0 405.502 3.672 20 5 HHBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 ZINC000541538619 1012322523 /nfs/dbraw/zinc/32/25/23/1012322523.db2.gz SVJYUILGDJYXBM-UHFFFAOYSA-N 1 0 412.671 3.530 20 5 HHBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000552321392 1012331226 /nfs/dbraw/zinc/33/12/26/1012331226.db2.gz PMPRFNDWGPODCX-LLVKDONJSA-N 1 0 418.302 3.531 20 5 HHBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000552334355 1012343452 /nfs/dbraw/zinc/34/34/52/1012343452.db2.gz IBVZVGPRUKCTJJ-HIFRSBDPSA-N 1 0 414.428 3.501 20 5 HHBDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])ccc1OC(C)C ZINC000537052822 1012380692 /nfs/dbraw/zinc/38/06/92/1012380692.db2.gz UCCFYWDQSTYIFF-HNNXBMFYSA-N 1 0 401.463 3.988 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C3CC3)C3(CO)CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000552392103 1012402866 /nfs/dbraw/zinc/40/28/66/1012402866.db2.gz GWLCMDZMKJPGEO-NRFANRHFSA-N 1 0 416.474 3.521 20 5 HHBDRO C[NH+](C)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n1 ZINC000541606612 1012406530 /nfs/dbraw/zinc/40/65/30/1012406530.db2.gz DLKVZWNWRRHCTI-UHFFFAOYSA-N 1 0 417.535 3.888 20 5 HHBDRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000537074356 1012416146 /nfs/dbraw/zinc/41/61/46/1012416146.db2.gz FHEGQJNPHRFPSG-FOIQADDNSA-N 1 0 413.474 3.626 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000537108117 1012479062 /nfs/dbraw/zinc/47/90/62/1012479062.db2.gz CUJVJTQADJVUQO-HZPDHXFCSA-N 1 0 410.474 3.708 20 5 HHBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000552488040 1012513664 /nfs/dbraw/zinc/51/36/64/1012513664.db2.gz RURKRVPVBTYKCV-CABCVRRESA-N 1 0 417.428 3.603 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CC(C)C)c1ccccc1OC ZINC000537174310 1012580723 /nfs/dbraw/zinc/58/07/23/1012580723.db2.gz FJBXJCFXNDRRRO-GOSISDBHSA-N 1 0 401.463 3.928 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000537262933 1012713480 /nfs/dbraw/zinc/71/34/80/1012713480.db2.gz JLRNSEZMNQMUBQ-UTKZUKDTSA-N 1 0 416.481 3.907 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541833625 1012720707 /nfs/dbraw/zinc/72/07/07/1012720707.db2.gz HLUVSMFOZHWSPC-QGZVFWFLSA-N 1 0 416.453 3.958 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000552813055 1012820636 /nfs/dbraw/zinc/82/06/36/1012820636.db2.gz WCBLNVNXOFGLSR-IBGZPJMESA-N 1 0 408.433 3.829 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000552934838 1012929180 /nfs/dbraw/zinc/92/91/80/1012929180.db2.gz QEVYFHDEVQFLBO-HNNXBMFYSA-N 1 0 407.474 4.088 20 5 HHBDRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000542035770 1012935458 /nfs/dbraw/zinc/93/54/58/1012935458.db2.gz ROZTWXLMNLTZOC-UHFFFAOYSA-N 1 0 406.870 3.853 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000542092996 1013019435 /nfs/dbraw/zinc/01/94/35/1013019435.db2.gz MPNCOJOTVFHLCB-UHFFFAOYSA-N 1 0 413.522 3.755 20 5 HHBDRO C[NH+]1CCN(Cc2ccc(CNc3ccc(Br)cc3[N+](=O)[O-])cc2)CC1 ZINC000524220872 1013029731 /nfs/dbraw/zinc/02/97/31/1013029731.db2.gz HCACNGZPIHSTGM-UHFFFAOYSA-N 1 0 419.323 3.717 20 5 HHBDRO O=[N+]([O-])c1cc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1Oc1ccccc1Cl ZINC000729683798 1071805695 /nfs/dbraw/zinc/80/56/95/1071805695.db2.gz BKESFDZHMQSIAY-DLBZAZTESA-N 1 0 417.893 3.993 20 5 HHBDRO CCc1ccc([C@@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[NH+](CC)CC)cc1 ZINC001212022017 1071902996 /nfs/dbraw/zinc/90/29/96/1071902996.db2.gz ZDFWKDBOWASQMN-GOSISDBHSA-N 1 0 423.510 3.658 20 5 HHBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000588063412 1072772757 /nfs/dbraw/zinc/77/27/57/1072772757.db2.gz FBGFQUQDKXRWCG-AEFFLSMTSA-N 1 0 411.506 3.767 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000588093943 1072817448 /nfs/dbraw/zinc/81/74/48/1072817448.db2.gz FLDUFWXMNCLUNC-UHFFFAOYSA-N 1 0 410.518 3.616 20 5 HHBDRO CC(C)c1ccc(C[NH2+][C@@H](C)CCNS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000554938715 1072986084 /nfs/dbraw/zinc/98/60/84/1072986084.db2.gz VUWLGBRPCBYYEH-INIZCTEOSA-N 1 0 405.520 3.565 20 5 HHBDRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000588824627 1073280169 /nfs/dbraw/zinc/28/01/69/1073280169.db2.gz FJCRIBVGTYTVBC-SFHVURJKSA-N 1 0 411.930 3.582 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000588835264 1073296968 /nfs/dbraw/zinc/29/69/68/1073296968.db2.gz OHUWUCPCNNFQKK-HNNXBMFYSA-N 1 0 403.504 3.567 20 5 HHBDRO C[C@@H]1C[C@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000588930582 1073346953 /nfs/dbraw/zinc/34/69/53/1073346953.db2.gz NVKCDHTYXUWTBX-NVXWUHKLSA-N 1 0 417.456 3.927 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590281509 1073703548 /nfs/dbraw/zinc/70/35/48/1073703548.db2.gz GREUZRKAHHINNR-MRXNPFEDSA-N 1 0 407.392 3.960 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000590543062 1073886451 /nfs/dbraw/zinc/88/64/51/1073886451.db2.gz JVVKSNGWNVMNBP-MRXNPFEDSA-N 1 0 417.531 3.958 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000590543936 1073887529 /nfs/dbraw/zinc/88/75/29/1073887529.db2.gz ICUNPMAAPYTCKA-UHFFFAOYSA-N 1 0 420.469 3.569 20 5 HHBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC4(C3)CC[NH+](C)CC4)cc2[N+](=O)[O-])C1 ZINC000590548241 1073889177 /nfs/dbraw/zinc/88/91/77/1073889177.db2.gz VMBLGGFOJWITFZ-ROUUACIJSA-N 1 0 414.550 3.635 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000555848706 1073899797 /nfs/dbraw/zinc/89/97/97/1073899797.db2.gz CSOVVBGFNQPBFH-CQSZACIVSA-N 1 0 410.312 3.614 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000760812192 1074165285 /nfs/dbraw/zinc/16/52/85/1074165285.db2.gz JIOFNRKNEZOJPB-MGPQQGTHSA-N 1 0 410.312 3.835 20 5 HHBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1O2 ZINC000591720077 1074481990 /nfs/dbraw/zinc/48/19/90/1074481990.db2.gz XDHUDKZGUDQHPN-LJQANCHMSA-N 1 0 424.501 3.501 20 5 HHBDRO Cn1ccnc1[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000575079071 1075472013 /nfs/dbraw/zinc/47/20/13/1075472013.db2.gz JGAYXNJFLRIYTH-JOCHJYFZSA-N 1 0 405.502 3.672 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)cnc1Cl ZINC001164414783 718879753 /nfs/dbraw/zinc/87/97/53/718879753.db2.gz XDWYPANXEIRBGX-NSHDSACASA-N 1 0 414.762 3.841 20 5 HHBDRO CN(C)/C=C\c1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001164626007 719096714 /nfs/dbraw/zinc/09/67/14/719096714.db2.gz HWKPKRFNTXTCKP-XXWPHYOCSA-N 1 0 407.518 3.623 20 5 HHBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)C2 ZINC001164815205 720198196 /nfs/dbraw/zinc/19/81/96/720198196.db2.gz WXMGXOSMEYRNMB-HYBUGGRVSA-N 1 0 422.529 3.842 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842733 720696745 /nfs/dbraw/zinc/69/67/45/720696745.db2.gz NABFDZPTHAYJIP-FQEVSTJZSA-N 1 0 410.518 3.867 20 5 HHBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164908054 721566461 /nfs/dbraw/zinc/56/64/61/721566461.db2.gz PQASBACUNGXVGD-AZUAARDMSA-N 1 0 408.433 3.624 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905995 721584684 /nfs/dbraw/zinc/58/46/84/721584684.db2.gz KVAUEFXTQGITDU-GOSISDBHSA-N 1 0 423.851 3.776 20 5 HHBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994804 722198527 /nfs/dbraw/zinc/19/85/27/722198527.db2.gz PVCGEIDACBSJPA-JOCHJYFZSA-N 1 0 407.449 3.922 20 5 HHBDRO C[NH+](C)[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)C1CCCCC1 ZINC000301384350 970899696 /nfs/dbraw/zinc/89/96/96/970899696.db2.gz WFDCOMSJLPXILF-GOSISDBHSA-N 1 0 419.913 3.717 20 5 HHBDRO C[C@@H]1C[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301525859 970967629 /nfs/dbraw/zinc/96/76/29/970967629.db2.gz HSKKORCKYQRLNQ-OXQOHEQNSA-N 1 0 408.502 3.952 20 5 HHBDRO CC[NH+]1CCN(c2ccc(CNc3cc(Br)ccc3[N+](=O)[O-])cn2)CC1 ZINC000301693342 971030636 /nfs/dbraw/zinc/03/06/36/971030636.db2.gz XRQKBTKBROWGMM-UHFFFAOYSA-N 1 0 420.311 3.506 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000301764293 971058092 /nfs/dbraw/zinc/05/80/92/971058092.db2.gz GXBXKQIXWZKCBD-BXUZGUMPSA-N 1 0 414.384 3.975 20 5 HHBDRO O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc2N1 ZINC000302159402 971190798 /nfs/dbraw/zinc/19/07/98/971190798.db2.gz NOBHJDAENXOLIV-OKZBNKHCSA-N 1 0 422.485 3.638 20 5 HHBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000524254729 1013065942 /nfs/dbraw/zinc/06/59/42/1013065942.db2.gz NUCNHBAUAUYXHT-UHFFFAOYSA-N 1 0 422.279 3.940 20 5 HHBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000302383085 971230270 /nfs/dbraw/zinc/23/02/70/971230270.db2.gz ZTJUGKQUYXJXPX-CALCHBBNSA-N 1 0 402.539 3.680 20 5 HHBDRO O=[N+]([O-])c1ccc(Br)cc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000302869545 971364053 /nfs/dbraw/zinc/36/40/53/971364053.db2.gz AXDVAQOXUPUSOY-QGZVFWFLSA-N 1 0 420.307 3.926 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000303115648 971511178 /nfs/dbraw/zinc/51/11/78/971511178.db2.gz LTKZROGUPVGXBC-UHFFFAOYSA-N 1 0 420.307 3.870 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000303457590 971761564 /nfs/dbraw/zinc/76/15/64/971761564.db2.gz MWHKEQOEDZFYOC-UHFFFAOYSA-N 1 0 409.577 3.798 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1C ZINC000303610428 971897457 /nfs/dbraw/zinc/89/74/57/971897457.db2.gz BLTFAFXXOQEIIB-QGZVFWFLSA-N 1 0 417.531 3.716 20 5 HHBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000303706140 971971809 /nfs/dbraw/zinc/97/18/09/971971809.db2.gz YCVNBFMTCYFKFK-AWEZNQCLSA-N 1 0 423.922 3.752 20 5 HHBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000537614704 1013154273 /nfs/dbraw/zinc/15/42/73/1013154273.db2.gz CBQCVXHBDPDNIA-DZGCQCFKSA-N 1 0 419.444 3.707 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)cc2[N+](=O)[O-])CC1 ZINC000524339226 1013163894 /nfs/dbraw/zinc/16/38/94/1013163894.db2.gz FMLIXOBEIMUNJR-FQEVSTJZSA-N 1 0 414.550 3.922 20 5 HHBDRO NC(=O)C[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000537622660 1013171245 /nfs/dbraw/zinc/17/12/45/1013171245.db2.gz GWZHUQQALWJPBF-QGZVFWFLSA-N 1 0 419.485 3.535 20 5 HHBDRO CN(C(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000542228368 1013183062 /nfs/dbraw/zinc/18/30/62/1013183062.db2.gz PKAMMZNTYDTLBZ-UHFFFAOYSA-N 1 0 415.515 3.825 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3OCc3cccnc3)C2)nc1 ZINC000537634335 1013189845 /nfs/dbraw/zinc/18/98/45/1013189845.db2.gz IEYZKGJNKQQHSJ-IBGZPJMESA-N 1 0 405.458 3.650 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000007240838 961085347 /nfs/dbraw/zinc/08/53/47/961085347.db2.gz ZFLWLSOXRGATBA-AWEZNQCLSA-N 1 0 416.444 3.796 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000007240832 961085388 /nfs/dbraw/zinc/08/53/88/961085388.db2.gz ZFLWLSOXRGATBA-CQSZACIVSA-N 1 0 416.444 3.796 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000542278500 1013238738 /nfs/dbraw/zinc/23/87/38/1013238738.db2.gz VEVWTOIWOFGXKF-CVEARBPZSA-N 1 0 417.531 3.549 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000553279627 1013240057 /nfs/dbraw/zinc/24/00/57/1013240057.db2.gz AVEIZLDBZWKEBW-UHFFFAOYSA-N 1 0 401.438 3.666 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000542307962 1013265248 /nfs/dbraw/zinc/26/52/48/1013265248.db2.gz WIMGBCMKEYOQHN-UHFFFAOYSA-N 1 0 400.410 3.905 20 5 HHBDRO COc1cc(F)c([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000553333424 1013280618 /nfs/dbraw/zinc/28/06/18/1013280618.db2.gz UVABSUKHBMZXOW-CYBMUJFWSA-N 1 0 405.426 3.739 20 5 HHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000010284195 961784897 /nfs/dbraw/zinc/78/48/97/961784897.db2.gz RUMPOLFZGHJAON-UHFFFAOYSA-N 1 0 400.435 3.583 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000542336625 1013294983 /nfs/dbraw/zinc/29/49/83/1013294983.db2.gz XZRPGSYMMKFIIK-INIZCTEOSA-N 1 0 407.923 3.629 20 5 HHBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[NH+]2CCCC2)c1 ZINC000014628575 962541733 /nfs/dbraw/zinc/54/17/33/962541733.db2.gz OFVNBJSCNQJLPE-IBGZPJMESA-N 1 0 403.866 3.824 20 5 HHBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000017362903 963197293 /nfs/dbraw/zinc/19/72/93/963197293.db2.gz DVZLAKCLOIEQIB-UHFFFAOYSA-N 1 0 422.529 3.592 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000020936118 963406218 /nfs/dbraw/zinc/40/62/18/963406218.db2.gz VEWGQPXCKWYYBD-LJQANCHMSA-N 1 0 400.479 3.723 20 5 HHBDRO CCOc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000023740055 963882680 /nfs/dbraw/zinc/88/26/80/963882680.db2.gz CRCARHKRTIDSPH-IBGZPJMESA-N 1 0 413.474 3.569 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000025330352 964242508 /nfs/dbraw/zinc/24/25/08/964242508.db2.gz FYLHHTSDWDBTQO-FQEVSTJZSA-N 1 0 416.547 3.925 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccs1 ZINC000050551414 964351964 /nfs/dbraw/zinc/35/19/64/964351964.db2.gz QMHQJLAQSPGGBC-HNNXBMFYSA-N 1 0 402.501 3.813 20 5 HHBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000050612017 964365108 /nfs/dbraw/zinc/36/51/08/964365108.db2.gz WIXUBIUWHCXMNE-UHFFFAOYSA-N 1 0 402.520 3.911 20 5 HHBDRO CCOc1ccc(C(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025917879 964390792 /nfs/dbraw/zinc/39/07/92/964390792.db2.gz SAPSNIACBDZZQK-NRFANRHFSA-N 1 0 411.502 3.806 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000026340968 964530367 /nfs/dbraw/zinc/53/03/67/964530367.db2.gz NSVAIOWLSZXMIX-KRWDZBQOSA-N 1 0 410.474 3.583 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)C1 ZINC000052157823 964822104 /nfs/dbraw/zinc/82/21/04/964822104.db2.gz HIJOQJWQCHQXQJ-INIZCTEOSA-N 1 0 417.531 3.842 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000052245005 964849195 /nfs/dbraw/zinc/84/91/95/964849195.db2.gz UBBDKZUGVHLFKW-INIZCTEOSA-N 1 0 417.531 3.985 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000537952805 1013533697 /nfs/dbraw/zinc/53/36/97/1013533697.db2.gz UBUPFXWBGDYLLJ-SJKOYZFVSA-N 1 0 411.380 3.654 20 5 HHBDRO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000028171756 965049965 /nfs/dbraw/zinc/04/99/65/965049965.db2.gz ALOSGPNTKPRYRI-UHFFFAOYSA-N 1 0 424.457 3.517 20 5 HHBDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000537973755 1013550397 /nfs/dbraw/zinc/55/03/97/1013550397.db2.gz ZTIKNPVWJPWHBS-OAQYLSRUSA-N 1 0 417.531 3.630 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000537977954 1013554078 /nfs/dbraw/zinc/55/40/78/1013554078.db2.gz BSECLXUUZCWLEV-QGZVFWFLSA-N 1 0 417.531 3.655 20 5 HHBDRO CC(C)(CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000029161512 965290224 /nfs/dbraw/zinc/29/02/24/965290224.db2.gz AINWQYJBUXGVNZ-UHFFFAOYSA-N 1 0 408.502 3.736 20 5 HHBDRO CC[N@H+](CCC1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1)CC(C)C ZINC000537995325 1013570276 /nfs/dbraw/zinc/57/02/76/1013570276.db2.gz NHXURIAXDUCCHB-UHFFFAOYSA-N 1 0 404.555 3.922 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000029919219 965558837 /nfs/dbraw/zinc/55/88/37/965558837.db2.gz JNRLDHWHQSPVGY-QGZVFWFLSA-N 1 0 401.532 4.000 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000030001673 965590486 /nfs/dbraw/zinc/59/04/86/965590486.db2.gz GQJWLDAJKUFCDN-HUUCEWRRSA-N 1 0 400.435 3.724 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2[N+](=O)[O-])n1 ZINC000058298832 965681187 /nfs/dbraw/zinc/68/11/87/965681187.db2.gz SAZSYZOYIOECLK-GJZGRUSLSA-N 1 0 418.544 3.868 20 5 HHBDRO CC(C)[C@H](CSc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542680617 1013601936 /nfs/dbraw/zinc/60/19/36/1013601936.db2.gz CJZYUPUCCYBEQQ-IBGZPJMESA-N 1 0 408.545 3.775 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000060356215 966108506 /nfs/dbraw/zinc/10/85/06/966108506.db2.gz VXMWUUMOQSBOSF-UHFFFAOYSA-N 1 0 419.503 3.795 20 5 HHBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000031766694 966114652 /nfs/dbraw/zinc/11/46/52/966114652.db2.gz UOILOBHEOPXVNZ-UHFFFAOYSA-N 1 0 408.502 3.826 20 5 HHBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000060394572 966127723 /nfs/dbraw/zinc/12/77/23/966127723.db2.gz MLFZHPKTQKARHL-UHFFFAOYSA-N 1 0 417.428 3.728 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000056154194 966237268 /nfs/dbraw/zinc/23/72/68/966237268.db2.gz MZLROVHWPXFIGZ-KGLIPLIRSA-N 1 0 417.462 3.607 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC000056205930 966257966 /nfs/dbraw/zinc/25/79/66/966257966.db2.gz QASWZAXYXJVVDT-KUHUBIRLSA-N 1 0 403.866 3.944 20 5 HHBDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056479648 966354826 /nfs/dbraw/zinc/35/48/26/966354826.db2.gz PXFYPTGJUBAZPP-UHFFFAOYSA-N 1 0 419.485 3.860 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061285633 966419956 /nfs/dbraw/zinc/41/99/56/966419956.db2.gz JMKDHAWLAAIROH-UHFFFAOYSA-N 1 0 410.499 3.737 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061733079 966533941 /nfs/dbraw/zinc/53/39/41/966533941.db2.gz YJXQOQMYMHWJIV-UHFFFAOYSA-N 1 0 404.492 3.699 20 5 HHBDRO C[NH+](C)C1(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCCCC1 ZINC000042232864 966752688 /nfs/dbraw/zinc/75/26/88/966752688.db2.gz IHQUGLBRHOWAJM-UHFFFAOYSA-N 1 0 403.401 3.530 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000538118638 1013679674 /nfs/dbraw/zinc/67/96/74/1013679674.db2.gz MUOBOPREXBRCCR-VXGBXAGGSA-N 1 0 409.389 3.883 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)c1 ZINC000043944093 967079709 /nfs/dbraw/zinc/07/97/09/967079709.db2.gz FJPDKPGWYXEKQP-HXUWFJFHSA-N 1 0 415.515 3.649 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521142 967223860 /nfs/dbraw/zinc/22/38/60/967223860.db2.gz NRTHNRFTXISEAF-INIZCTEOSA-N 1 0 412.515 3.639 20 5 HHBDRO COc1ccc(C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C2CC2)cc1 ZINC000064641360 967255871 /nfs/dbraw/zinc/25/58/71/967255871.db2.gz FVEHWEGOHPCTQF-MRXNPFEDSA-N 1 0 409.486 3.793 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000064721540 967275781 /nfs/dbraw/zinc/27/57/81/967275781.db2.gz AXELAPTWEXCUPB-SJCJKPOMSA-N 1 0 409.845 3.574 20 5 HHBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542869315 1013722533 /nfs/dbraw/zinc/72/25/33/1013722533.db2.gz VLZUCYFVTAOXJC-QGZVFWFLSA-N 1 0 405.401 3.763 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000065511607 967499971 /nfs/dbraw/zinc/49/99/71/967499971.db2.gz RBSWNQMOQWMYCM-GOSISDBHSA-N 1 0 410.518 3.869 20 5 HHBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000542901641 1013744427 /nfs/dbraw/zinc/74/44/27/1013744427.db2.gz IDOQRUNVZRQTKM-UHFFFAOYSA-N 1 0 407.417 3.966 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000047187624 968082115 /nfs/dbraw/zinc/08/21/15/968082115.db2.gz MKPQPSLWPPLDLB-SFHVURJKSA-N 1 0 402.539 3.582 20 5 HHBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047864615 968345790 /nfs/dbraw/zinc/34/57/90/968345790.db2.gz KOUYFYUKMLDOTF-CQSZACIVSA-N 1 0 410.377 3.748 20 5 HHBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047864694 968346200 /nfs/dbraw/zinc/34/62/00/968346200.db2.gz VPRSNAYDANBJPF-AWEZNQCLSA-N 1 0 406.389 3.592 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047866030 968347362 /nfs/dbraw/zinc/34/73/62/968347362.db2.gz CTRGNPUELMTIKE-ZDUSSCGKSA-N 1 0 400.426 3.972 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000538277497 1013816324 /nfs/dbraw/zinc/81/63/24/1013816324.db2.gz QWFWPQWHMKVCAE-INIZCTEOSA-N 1 0 412.490 3.883 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccsc1 ZINC000065866880 968688615 /nfs/dbraw/zinc/68/86/15/968688615.db2.gz LVQBHQZRWQOCRB-IBGZPJMESA-N 1 0 400.504 3.810 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000065936326 968724662 /nfs/dbraw/zinc/72/46/62/968724662.db2.gz FPAFZLMNMFEQBW-UHFFFAOYSA-N 1 0 413.371 3.957 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000072058201 968964413 /nfs/dbraw/zinc/96/44/13/968964413.db2.gz ZEFDKTPNTSVFSC-INIZCTEOSA-N 1 0 414.481 3.675 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1SC ZINC000097548872 969157826 /nfs/dbraw/zinc/15/78/26/969157826.db2.gz DIWWVMFTJAPIKX-MRXNPFEDSA-N 1 0 419.503 3.794 20 5 HHBDRO CSc1ccc(C(=O)N2CCN(Cc3cccc4cccnc43)CC2)cc1[N+](=O)[O-] ZINC000106926070 969308959 /nfs/dbraw/zinc/30/89/59/969308959.db2.gz BYVMNXCJSUQWID-UHFFFAOYSA-N 1 0 422.510 3.823 20 5 HHBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000108840144 969425094 /nfs/dbraw/zinc/42/50/94/969425094.db2.gz CKNZNZYDHHHTBX-UONOGXRCSA-N 1 0 416.444 3.652 20 5 HHBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CC1 ZINC000109360737 969505829 /nfs/dbraw/zinc/50/58/29/969505829.db2.gz UTTDLWLQDFZTLT-UHFFFAOYSA-N 1 0 402.539 3.825 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)C[C@@H](C)O1 ZINC000109874625 969582851 /nfs/dbraw/zinc/58/28/51/969582851.db2.gz YYZHIBJRCLVAIX-HZPDHXFCSA-N 1 0 422.485 3.615 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)c(C)c2)CC1 ZINC000109940361 969598191 /nfs/dbraw/zinc/59/81/91/969598191.db2.gz WIWSGFWZBCSONE-UHFFFAOYSA-N 1 0 407.474 3.779 20 5 HHBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCC1 ZINC000110350531 969657536 /nfs/dbraw/zinc/65/75/36/969657536.db2.gz HEVDARMYWKOPSQ-HNNXBMFYSA-N 1 0 414.428 3.502 20 5 HHBDRO C[NH+](C)C1(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CCCC1 ZINC000111221845 969809229 /nfs/dbraw/zinc/80/92/29/969809229.db2.gz JUYVYFYWCNFZFV-UHFFFAOYSA-N 1 0 418.519 3.682 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000116415933 969892254 /nfs/dbraw/zinc/89/22/54/969892254.db2.gz WHTJJKMETODPHO-VMSUTVGLSA-N 1 0 417.531 3.989 20 5 HHBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000116637428 969911086 /nfs/dbraw/zinc/91/10/86/969911086.db2.gz NKBDAZFRGGAWRD-UHFFFAOYSA-N 1 0 423.498 3.786 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000195632252 969920801 /nfs/dbraw/zinc/92/08/01/969920801.db2.gz PZBMDNNDPBXYHI-UHFFFAOYSA-N 1 0 400.445 3.612 20 5 HHBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000227440810 970118399 /nfs/dbraw/zinc/11/83/99/970118399.db2.gz SXWJRAYSPULQHY-KURKYZTESA-N 1 0 402.539 3.681 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCn3ccnc3)o2)c(Br)c1 ZINC000236568379 970142073 /nfs/dbraw/zinc/14/20/73/970142073.db2.gz GYXZRVIKPQFJIE-UHFFFAOYSA-N 1 0 405.252 3.994 20 5 HHBDRO CCC(CC)[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCOCC1 ZINC000236676641 970153863 /nfs/dbraw/zinc/15/38/63/970153863.db2.gz SZHHKASFEFPFRC-HXUWFJFHSA-N 1 0 418.563 3.945 20 5 HHBDRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000236680124 970153882 /nfs/dbraw/zinc/15/38/82/970153882.db2.gz BIGNJOPOKVHMTR-GDBMZVCRSA-N 1 0 402.520 3.891 20 5 HHBDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236883467 970184394 /nfs/dbraw/zinc/18/43/94/970184394.db2.gz VJNSVZPYQHXCNM-IAGOWNOFSA-N 1 0 421.501 3.840 20 5 HHBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236984536 970200070 /nfs/dbraw/zinc/20/00/70/970200070.db2.gz VJNSVZPYQHXCNM-DLBZAZTESA-N 1 0 421.501 3.840 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000237008842 970205669 /nfs/dbraw/zinc/20/56/69/970205669.db2.gz KLUGVXSKSWIOOQ-MRXNPFEDSA-N 1 0 405.520 3.785 20 5 HHBDRO CCc1noc(-c2ccc(CC[NH2+]Cc3cc(OC)c(OC)cc3[N+](=O)[O-])cc2)n1 ZINC000237077460 970218913 /nfs/dbraw/zinc/21/89/13/970218913.db2.gz DYIVUUDLHYEGQE-UHFFFAOYSA-N 1 0 412.446 3.557 20 5 HHBDRO COc1cc(C[NH2+][C@H](C)C(=O)NC(C)(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237158525 970233276 /nfs/dbraw/zinc/23/32/76/970233276.db2.gz LZCLJFIPJGYJIB-OAHLLOKOSA-N 1 0 415.490 3.575 20 5 HHBDRO COc1cc(C[NH2+]CCc2csc(C)n2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237203894 970240518 /nfs/dbraw/zinc/24/05/18/970240518.db2.gz BTCYIRURDJBPTL-UHFFFAOYSA-N 1 0 405.398 3.642 20 5 HHBDRO CSC[C@](C)(O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237371535 970271837 /nfs/dbraw/zinc/27/18/37/970271837.db2.gz YUBMZBVGKBMQHH-OAQYLSRUSA-N 1 0 412.515 3.651 20 5 HHBDRO COc1cc(C[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)c([N+](=O)[O-])cc1OC ZINC000237416820 970281321 /nfs/dbraw/zinc/28/13/21/970281321.db2.gz SPAKMTPGDAFCDJ-UHFFFAOYSA-N 1 0 418.837 3.648 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCc3n[nH]cc3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237436053 970285745 /nfs/dbraw/zinc/28/57/45/970285745.db2.gz SZKMBCAXTBMAHJ-SFHVURJKSA-N 1 0 408.458 3.553 20 5 HHBDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237457322 970291525 /nfs/dbraw/zinc/29/15/25/970291525.db2.gz XIOSABDSJFVACU-HTAPYJJXSA-N 1 0 422.485 3.731 20 5 HHBDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000237562015 970312993 /nfs/dbraw/zinc/31/29/93/970312993.db2.gz VQSZDMTXCFWEKH-QGZVFWFLSA-N 1 0 405.502 3.532 20 5 HHBDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000237657239 970331321 /nfs/dbraw/zinc/33/13/21/970331321.db2.gz RKLNYFYDUDLZHA-JORFTBQQSA-N 1 0 409.486 3.647 20 5 HHBDRO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000148858613 970373852 /nfs/dbraw/zinc/37/38/52/970373852.db2.gz YLFUQQJDDDQYNE-HZPDHXFCSA-N 1 0 402.520 3.929 20 5 HHBDRO O=C(CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)N1Cc2ccccc2C1 ZINC000237818804 970374345 /nfs/dbraw/zinc/37/43/45/970374345.db2.gz XIHWFMGZMASKQX-UHFFFAOYSA-N 1 0 405.401 3.608 20 5 HHBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 ZINC000237904735 970391496 /nfs/dbraw/zinc/39/14/96/970391496.db2.gz VVFNCWORBJHULF-IBGZPJMESA-N 1 0 409.408 3.777 20 5 HHBDRO O=C1C[C@@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000237933980 970397545 /nfs/dbraw/zinc/39/75/45/970397545.db2.gz PZWOVEAJNBLMLC-CQSZACIVSA-N 1 0 401.850 3.893 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000195609850 970552140 /nfs/dbraw/zinc/55/21/40/970552140.db2.gz DIMJJSYCFACNBU-MRXNPFEDSA-N 1 0 423.517 3.767 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000261384470 970640375 /nfs/dbraw/zinc/64/03/75/970640375.db2.gz UDTCMRXKZWSMAL-UHFFFAOYSA-N 1 0 405.495 3.746 20 5 HHBDRO NC(=O)C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCC1CCCCC1 ZINC000261455498 970695170 /nfs/dbraw/zinc/69/51/70/970695170.db2.gz NLLVDUXDAPXXIN-UHFFFAOYSA-N 1 0 400.479 3.550 20 5 HHBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000310969587 972624884 /nfs/dbraw/zinc/62/48/84/972624884.db2.gz CZTZRIXPRDDMHW-CYBMUJFWSA-N 1 0 406.280 3.608 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000554843832 1014071903 /nfs/dbraw/zinc/07/19/03/1014071903.db2.gz OEVPAEFPOLKUJY-UWJYYQICSA-N 1 0 411.506 3.747 20 5 HHBDRO CSc1ccc(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000409668265 973127879 /nfs/dbraw/zinc/12/78/79/973127879.db2.gz XWNVTYLNHOMJHA-UHFFFAOYSA-N 1 0 401.532 3.953 20 5 HHBDRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425969552 974073710 /nfs/dbraw/zinc/07/37/10/974073710.db2.gz YVGGJDPAVOSTQY-UHFFFAOYSA-N 1 0 408.506 3.798 20 5 HHBDRO COc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1OCC(F)(F)F ZINC000426006190 974120998 /nfs/dbraw/zinc/12/09/98/974120998.db2.gz ZZCQULPRYDJLOT-UHFFFAOYSA-N 1 0 414.384 3.578 20 5 HHBDRO O=[N+]([O-])c1cc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)c2c(c1)COCO2 ZINC000426400933 974433175 /nfs/dbraw/zinc/43/31/75/974433175.db2.gz DYDFJLAOLDJUTC-UHFFFAOYSA-N 1 0 402.422 3.782 20 5 HHBDRO Cc1c(C[N@@H+](C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000426747394 974632557 /nfs/dbraw/zinc/63/25/57/974632557.db2.gz OXOIEMZQCAHDIO-INIZCTEOSA-N 1 0 403.504 3.636 20 5 HHBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000427055561 974862205 /nfs/dbraw/zinc/86/22/05/974862205.db2.gz WMTIJLHMYWXJLP-WIYYLYMNSA-N 1 0 409.486 3.730 20 5 HHBDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000427299043 975035428 /nfs/dbraw/zinc/03/54/28/975035428.db2.gz IQISAVMPBMODON-HUUCEWRRSA-N 1 0 409.914 3.600 20 5 HHBDRO CCOc1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000428457609 975762012 /nfs/dbraw/zinc/76/20/12/975762012.db2.gz KDFSCOZKACNFGO-MOPGFXCFSA-N 1 0 414.506 3.952 20 5 HHBDRO COc1cc(C[NH+]2CCC(O)(C(F)F)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000428470464 975769585 /nfs/dbraw/zinc/76/95/85/975769585.db2.gz PHTDTRJBRKTOAB-UHFFFAOYSA-N 1 0 422.428 3.774 20 5 HHBDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000428475151 975773552 /nfs/dbraw/zinc/77/35/52/975773552.db2.gz BMFYASWTLJUVSO-DKISHCGFSA-N 1 0 415.515 3.841 20 5 HHBDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000428483106 975782532 /nfs/dbraw/zinc/78/25/32/975782532.db2.gz NURUVCSENLHURZ-CYBMUJFWSA-N 1 0 413.421 3.824 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000428539311 975839649 /nfs/dbraw/zinc/83/96/49/975839649.db2.gz SATYNAUMNSDEMO-HNNXBMFYSA-N 1 0 423.307 3.697 20 5 HHBDRO CCOc1cc(C[NH2+][C@H]2CC23CCCC3)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000428545871 975851769 /nfs/dbraw/zinc/85/17/69/975851769.db2.gz WIOLIGBLMXLFIS-FQEVSTJZSA-N 1 0 414.506 4.000 20 5 HHBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000428552340 975863248 /nfs/dbraw/zinc/86/32/48/975863248.db2.gz MCQNKSVPJHGMAO-MRXNPFEDSA-N 1 0 421.906 3.546 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)CC(F)F)o2)c(Br)c1 ZINC000428648169 975949054 /nfs/dbraw/zinc/94/90/54/975949054.db2.gz JELKJVLOMARPCL-VIFPVBQESA-N 1 0 405.195 3.723 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-])c1ccccn1 ZINC000428712513 976002626 /nfs/dbraw/zinc/00/26/26/976002626.db2.gz NJKGTOVWJUFTSB-CDXJDZJCSA-N 1 0 423.517 3.719 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000429214760 976508748 /nfs/dbraw/zinc/50/87/48/976508748.db2.gz HYRUXYBEJTUYLW-GOSISDBHSA-N 1 0 413.478 3.517 20 5 HHBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1OC ZINC000429295097 976574443 /nfs/dbraw/zinc/57/44/43/976574443.db2.gz AICBDKRFZJFNHD-RHSMWYFYSA-N 1 0 400.475 3.991 20 5 HHBDRO CCOc1ccc([C@H](C)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000429431856 976711130 /nfs/dbraw/zinc/71/11/30/976711130.db2.gz WRSPPVATTOQJSJ-RXVVDRJESA-N 1 0 413.518 3.935 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000429830573 977100013 /nfs/dbraw/zinc/10/00/13/977100013.db2.gz JVIRAQNFDXNJMC-OAQYLSRUSA-N 1 0 411.502 3.834 20 5 HHBDRO C[NH+](C)CCOc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000430032232 977284019 /nfs/dbraw/zinc/28/40/19/977284019.db2.gz FOEPPWSYJYEPMT-UHFFFAOYSA-N 1 0 408.252 3.550 20 5 HHBDRO Cc1cc(OCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)ccc1[N+](=O)[O-] ZINC000430418587 977533731 /nfs/dbraw/zinc/53/37/31/977533731.db2.gz PDKSSQQCWVNCBL-UHFFFAOYSA-N 1 0 415.515 3.512 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000430645183 977665783 /nfs/dbraw/zinc/66/57/83/977665783.db2.gz ZSHXRNQVBNUEKB-PXNSSMCTSA-N 1 0 419.485 3.563 20 5 HHBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000430765607 977741546 /nfs/dbraw/zinc/74/15/46/977741546.db2.gz FYFDAXZQINHIKM-HXUWFJFHSA-N 1 0 403.866 3.999 20 5 HHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000430817762 977775152 /nfs/dbraw/zinc/77/51/52/977775152.db2.gz VXRKMFNQIGEHRS-VQTJNVASSA-N 1 0 416.566 3.828 20 5 HHBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430820310 977776741 /nfs/dbraw/zinc/77/67/41/977776741.db2.gz FKNJEYGKWIAJTR-CJNGLKHVSA-N 1 0 412.328 3.988 20 5 HHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000430827384 977782515 /nfs/dbraw/zinc/78/25/15/977782515.db2.gz ZSVPAOYSRQZDCI-SUMWQHHRSA-N 1 0 412.328 3.988 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431164270 978065299 /nfs/dbraw/zinc/06/52/99/978065299.db2.gz UXALRQDTPWXTKQ-STQMWFEESA-N 1 0 412.328 3.844 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000431167388 978067664 /nfs/dbraw/zinc/06/76/64/978067664.db2.gz COJYZOKQNOYRDA-INIZCTEOSA-N 1 0 410.243 3.529 20 5 HHBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431629557 978396117 /nfs/dbraw/zinc/39/61/17/978396117.db2.gz FAPLTFLWWPNNBS-UHFFFAOYSA-N 1 0 418.291 3.883 20 5 HHBDRO C[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000431918354 978600472 /nfs/dbraw/zinc/60/04/72/978600472.db2.gz HJOAPHCEFMQDLJ-GOEBONIOSA-N 1 0 423.922 3.580 20 5 HHBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000431920701 978602178 /nfs/dbraw/zinc/60/21/78/978602178.db2.gz FNQUBOIAFPBCHG-GDBMZVCRSA-N 1 0 423.922 3.580 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431922494 978603121 /nfs/dbraw/zinc/60/31/21/978603121.db2.gz FKCWHJMNVOHEMB-DVOMOZLQSA-N 1 0 410.312 3.835 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1)CC(C)C ZINC000432250087 978729821 /nfs/dbraw/zinc/72/98/21/978729821.db2.gz HWIHQLYGKKFWDZ-UHFFFAOYSA-N 1 0 405.539 3.889 20 5 HHBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3c(Cl)cccc3[N+](=O)[O-])c2)C1 ZINC000432330167 978763441 /nfs/dbraw/zinc/76/34/41/978763441.db2.gz YDAYMASHVMJJPF-MRXNPFEDSA-N 1 0 402.882 3.558 20 5 HHBDRO CCc1ccc([C@H](NCCC[N@@H+]2CCCO[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000432428329 978808567 /nfs/dbraw/zinc/80/85/67/978808567.db2.gz KDIAUQFWCUVBBF-HTAPYJJXSA-N 1 0 401.507 3.930 20 5 HHBDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCCO1 ZINC000432548456 978879761 /nfs/dbraw/zinc/87/97/61/978879761.db2.gz DMCYUCXXSFFFSP-KRWDZBQOSA-N 1 0 412.490 3.569 20 5 HHBDRO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433160805 979107634 /nfs/dbraw/zinc/10/76/34/979107634.db2.gz PTQXKOGRAXUQCD-FQEVSTJZSA-N 1 0 417.531 3.794 20 5 HHBDRO COC[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000433199338 979136390 /nfs/dbraw/zinc/13/63/90/979136390.db2.gz LBAUYXBTAMFWRR-FCHUYYIVSA-N 1 0 422.485 3.731 20 5 HHBDRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433250990 979183061 /nfs/dbraw/zinc/18/30/61/979183061.db2.gz ZWLXCBRXJREDRG-LAUBAEHRSA-N 1 0 409.534 3.513 20 5 HHBDRO CC1(C)C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c2cc([N+](=O)[O-])ccc21 ZINC000433266730 979201776 /nfs/dbraw/zinc/20/17/76/979201776.db2.gz BDHPLEKBEOAGCD-TZYHBYERSA-N 1 0 409.530 3.790 20 5 HHBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c2cc([N+](=O)[O-])ccc21 ZINC000433266729 979201839 /nfs/dbraw/zinc/20/18/39/979201839.db2.gz BDHPLEKBEOAGCD-NMNUPHIUSA-N 1 0 409.530 3.790 20 5 HHBDRO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000434500084 980213728 /nfs/dbraw/zinc/21/37/28/980213728.db2.gz PYFQILGZVZPIKE-LJQANCHMSA-N 1 0 421.501 3.641 20 5 HHBDRO COc1cc(C[NH2+]C[C@H]2CCCCN2C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000434783750 980396895 /nfs/dbraw/zinc/39/68/95/980396895.db2.gz HXOJZBDHZKBQCK-OAHLLOKOSA-N 1 0 417.428 3.651 20 5 HHBDRO COc1cc2c(cc1OC)CC[NH+]([C@@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000434810769 980414765 /nfs/dbraw/zinc/41/47/65/980414765.db2.gz UJAOBOBJTSZGET-AWEZNQCLSA-N 1 0 424.457 3.824 20 5 HHBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435267670 980750591 /nfs/dbraw/zinc/75/05/91/980750591.db2.gz NDKMLHSRIXGNDL-SFHVURJKSA-N 1 0 420.473 3.502 20 5 HHBDRO Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435273602 980752518 /nfs/dbraw/zinc/75/25/18/980752518.db2.gz AZPSSJIZUPIPBM-FQEVSTJZSA-N 1 0 419.485 3.728 20 5 HHBDRO COc1cc(C[NH2+]CC2([S@@](C)=O)CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435736564 981009739 /nfs/dbraw/zinc/00/97/39/981009739.db2.gz XXKPPXIXISDSOJ-GDLZYMKVSA-N 1 0 418.515 3.573 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CC[C@@H](C(=O)N4CCCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000435738558 981010069 /nfs/dbraw/zinc/01/00/69/981010069.db2.gz SOCBBNHNDOZVDD-CVEARBPZSA-N 1 0 413.474 3.744 20 5 HHBDRO C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C[NH+]1CCCCC1 ZINC000436071007 981188080 /nfs/dbraw/zinc/18/80/80/981188080.db2.gz BCNVTYZQAKIBBS-AWEZNQCLSA-N 1 0 413.468 3.811 20 5 HHBDRO COCC[N@H+](C)CCCC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436393242 981345337 /nfs/dbraw/zinc/34/53/37/981345337.db2.gz UJHNQNQQCXUBIT-UHFFFAOYSA-N 1 0 404.433 3.583 20 5 HHBDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000437063227 981734880 /nfs/dbraw/zinc/73/48/80/981734880.db2.gz ZIMFPNUHDCAOAI-UHFFFAOYSA-N 1 0 424.501 3.566 20 5 HHBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000448405118 981758250 /nfs/dbraw/zinc/75/82/50/981758250.db2.gz OJTVAIWOWWPICV-ZDUSSCGKSA-N 1 0 400.426 3.686 20 5 HHBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000437191807 981848990 /nfs/dbraw/zinc/84/89/90/981848990.db2.gz BLEAZZXSDRKCGA-AEFFLSMTSA-N 1 0 411.506 3.719 20 5 HHBDRO C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000437468228 982098426 /nfs/dbraw/zinc/09/84/26/982098426.db2.gz CDWJWSJBZHSBHV-INIZCTEOSA-N 1 0 420.469 3.585 20 5 HHBDRO C[C@@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000437483130 982110355 /nfs/dbraw/zinc/11/03/55/982110355.db2.gz LDPCMXJHELLHMT-GOSISDBHSA-N 1 0 419.485 3.517 20 5 HHBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)CC1 ZINC000460582121 982367065 /nfs/dbraw/zinc/36/70/65/982367065.db2.gz BKULFWQSRSEOJZ-UHFFFAOYSA-N 1 0 400.527 3.820 20 5 HHBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000461041596 982742556 /nfs/dbraw/zinc/74/25/56/982742556.db2.gz KCZRDLORERKMDS-LLVKDONJSA-N 1 0 414.293 3.546 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000438455848 982808714 /nfs/dbraw/zinc/80/87/14/982808714.db2.gz OOWUBXRGCDCZGV-QUCCMNQESA-N 1 0 410.518 3.827 20 5 HHBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)CC3([NH+](C)C)CCC3)cc2[N+](=O)[O-])C1 ZINC000438561214 982902559 /nfs/dbraw/zinc/90/25/59/982902559.db2.gz JNKKNJGDURBPEN-IAGOWNOFSA-N 1 0 402.539 3.633 20 5 HHBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461272301 982977005 /nfs/dbraw/zinc/97/70/05/982977005.db2.gz PCEDDUKNDJIACI-HNNXBMFYSA-N 1 0 416.444 3.748 20 5 HHBDRO COc1ccc(OCC[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000438671015 982989985 /nfs/dbraw/zinc/98/99/85/982989985.db2.gz MIPLCMOPWGXQJH-QFIPXVFZSA-N 1 0 421.453 3.952 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000438717197 983023183 /nfs/dbraw/zinc/02/31/83/983023183.db2.gz SJOAOYVEBXILBG-UHFFFAOYSA-N 1 0 419.485 3.517 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461420538 983084095 /nfs/dbraw/zinc/08/40/95/983084095.db2.gz BCWLAHWVFCTKDA-ZWKOTPCHSA-N 1 0 411.527 3.911 20 5 HHBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461428750 983091830 /nfs/dbraw/zinc/09/18/30/983091830.db2.gz NADIHVSCOGFADC-MSOLQXFVSA-N 1 0 404.470 3.670 20 5 HHBDRO Cc1c(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000438836820 983106115 /nfs/dbraw/zinc/10/61/15/983106115.db2.gz QFYGLOQMDJRGFG-SFHVURJKSA-N 1 0 421.419 3.855 20 5 HHBDRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000461471087 983131990 /nfs/dbraw/zinc/13/19/90/983131990.db2.gz MRRKPKLDYAKNGZ-QGZVFWFLSA-N 1 0 407.474 3.503 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)[NH+]1CCCCC1 ZINC000439108126 983253329 /nfs/dbraw/zinc/25/33/29/983253329.db2.gz BQZCRQLWWAOPRK-OAQYLSRUSA-N 1 0 411.502 3.798 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000439872286 983563843 /nfs/dbraw/zinc/56/38/43/983563843.db2.gz KOEHHPDXRJSITJ-UHFFFAOYSA-N 1 0 420.510 3.539 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000439881581 983567681 /nfs/dbraw/zinc/56/76/81/983567681.db2.gz NDCUPKDCVAFQQJ-JXFKEZNVSA-N 1 0 413.478 3.545 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000439888105 983571268 /nfs/dbraw/zinc/57/12/68/983571268.db2.gz MIXUKCIUKAWYGX-QGZVFWFLSA-N 1 0 402.451 3.854 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000439888319 983571357 /nfs/dbraw/zinc/57/13/57/983571357.db2.gz NHWZIZQOLBLHSQ-UHFFFAOYSA-N 1 0 400.479 3.898 20 5 HHBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000440534369 983786878 /nfs/dbraw/zinc/78/68/78/983786878.db2.gz QPCGYWLYSHKPKS-UHFFFAOYSA-N 1 0 424.457 3.744 20 5 HHBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000441246897 984136398 /nfs/dbraw/zinc/13/63/98/984136398.db2.gz IQSFECOUAJYKPP-PVUWLOKVSA-N 1 0 404.492 3.593 20 5 HHBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1 ZINC000441247401 984137017 /nfs/dbraw/zinc/13/70/17/984137017.db2.gz RQDVDNIOPZDGJG-QGZVFWFLSA-N 1 0 402.447 3.837 20 5 HHBDRO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000441816348 984473361 /nfs/dbraw/zinc/47/33/61/984473361.db2.gz CEYVRQPXSHRUSY-SFHVURJKSA-N 1 0 411.502 3.875 20 5 HHBDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000462114122 985084485 /nfs/dbraw/zinc/08/44/85/985084485.db2.gz ZFHHIUTXYGIAPU-OAQYLSRUSA-N 1 0 417.531 3.797 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccn1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462495032 985448425 /nfs/dbraw/zinc/44/84/25/985448425.db2.gz IYAACWQHKHNFJG-UHFFFAOYSA-N 1 0 407.474 3.532 20 5 HHBDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000468038444 985694726 /nfs/dbraw/zinc/69/47/26/985694726.db2.gz NPLHSGTZODZANY-LBPRGKRZSA-N 1 0 407.854 3.772 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000462818348 985744918 /nfs/dbraw/zinc/74/49/18/985744918.db2.gz JXQJMXHKHWHLOG-CVEARBPZSA-N 1 0 400.454 3.567 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443601282 985777348 /nfs/dbraw/zinc/77/73/48/985777348.db2.gz MVPVHGSPVNMVJE-KRWDZBQOSA-N 1 0 418.538 3.518 20 5 HHBDRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000462860210 985785459 /nfs/dbraw/zinc/78/54/59/985785459.db2.gz FMRFPSIENCNSTP-HNNXBMFYSA-N 1 0 406.433 3.819 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443656836 985854504 /nfs/dbraw/zinc/85/45/04/985854504.db2.gz MTKYDRDIYBLCDO-OAHLLOKOSA-N 1 0 419.865 3.739 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000462996395 985945880 /nfs/dbraw/zinc/94/58/80/985945880.db2.gz YPLKUUDPVAFBPR-FCHUYYIVSA-N 1 0 409.530 3.844 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443886058 986086892 /nfs/dbraw/zinc/08/68/92/986086892.db2.gz SJIQOFVVHOMKCZ-UHFFFAOYSA-N 1 0 413.371 3.957 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000463189592 986160480 /nfs/dbraw/zinc/16/04/80/986160480.db2.gz AZJKKVXXHYCFGS-UUXHPUJUSA-N 1 0 419.522 3.584 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000443954912 986162863 /nfs/dbraw/zinc/16/28/63/986162863.db2.gz DJJKLDACNRUZDX-IYBDPMFKSA-N 1 0 404.511 3.565 20 5 HHBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000444008424 986203855 /nfs/dbraw/zinc/20/38/55/986203855.db2.gz IKWWTDMULNNLPN-INIZCTEOSA-N 1 0 407.489 3.911 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000463291332 986257950 /nfs/dbraw/zinc/25/79/50/986257950.db2.gz WZECOYJGUXCFME-HTAPYJJXSA-N 1 0 408.502 3.789 20 5 HHBDRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000468596902 986306738 /nfs/dbraw/zinc/30/67/38/986306738.db2.gz NHAJIIQQCGEQOM-UHFFFAOYSA-N 1 0 401.444 3.820 20 5 HHBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000444129340 986322454 /nfs/dbraw/zinc/32/24/54/986322454.db2.gz RNCKXXUDZOQPJG-AWEZNQCLSA-N 1 0 413.468 3.763 20 5 HHBDRO COc1cc2c(cc1OC)CN(CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC2 ZINC000468630408 986348037 /nfs/dbraw/zinc/34/80/37/986348037.db2.gz HLIFQFCDJDBEAO-BOPFTXTBSA-N 1 0 411.502 3.663 20 5 HHBDRO COC[C@@H]1CCCC[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000468692999 986406369 /nfs/dbraw/zinc/40/63/69/986406369.db2.gz GYGXDSYNCOBGPJ-CYBMUJFWSA-N 1 0 406.401 3.793 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000463435600 986411616 /nfs/dbraw/zinc/41/16/16/986411616.db2.gz UJYXODSOZJCLQG-QGZVFWFLSA-N 1 0 411.380 3.655 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000468745156 986458774 /nfs/dbraw/zinc/45/87/74/986458774.db2.gz QLPCKIDZTCKRGG-OBGWFSINSA-N 1 0 422.529 3.850 20 5 HHBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444334939 986512311 /nfs/dbraw/zinc/51/23/11/986512311.db2.gz JFCLLDFJGPRELA-AWEZNQCLSA-N 1 0 413.468 3.954 20 5 HHBDRO COc1cccc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000444370563 986547259 /nfs/dbraw/zinc/54/72/59/986547259.db2.gz ZSJYWGAIHGETFV-HNNXBMFYSA-N 1 0 411.380 3.655 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000444460394 986643027 /nfs/dbraw/zinc/64/30/27/986643027.db2.gz KLXVLZOPKCWLHA-UHFFFAOYSA-N 1 0 423.391 3.823 20 5 HHBDRO COC(=O)C[C@]1([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000463712258 986698709 /nfs/dbraw/zinc/69/87/09/986698709.db2.gz UUYPHHQJUWDCJF-HXUWFJFHSA-N 1 0 420.849 3.852 20 5 HHBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000444563232 986757402 /nfs/dbraw/zinc/75/74/02/986757402.db2.gz YYYDYDFKIFLBHY-UHFFFAOYSA-N 1 0 415.515 3.530 20 5 HHBDRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688117 986866895 /nfs/dbraw/zinc/86/68/95/986866895.db2.gz XKWFUDGBTMQUAH-UHFFFAOYSA-N 1 0 409.368 3.832 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCC(CO)(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000444786117 986942573 /nfs/dbraw/zinc/94/25/73/986942573.db2.gz NDTVJQCMDYRYAN-UHFFFAOYSA-N 1 0 411.502 3.549 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000444901831 987050928 /nfs/dbraw/zinc/05/09/28/987050928.db2.gz LDYUKBXQSWKJCI-UHFFFAOYSA-N 1 0 406.870 3.853 20 5 HHBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000445245101 987304003 /nfs/dbraw/zinc/30/40/03/987304003.db2.gz SQNNOQWWARVUCN-UHFFFAOYSA-N 1 0 422.489 3.821 20 5 HHBDRO Cc1cc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccc1[N+](=O)[O-] ZINC000469912922 987543168 /nfs/dbraw/zinc/54/31/68/987543168.db2.gz BQCYXOQMDOYVFK-UHFFFAOYSA-N 1 0 400.401 3.830 20 5 HHBDRO C[NH+](C)CCc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000445795617 987856979 /nfs/dbraw/zinc/85/69/79/987856979.db2.gz QDRIHIFYKZGLOX-UHFFFAOYSA-N 1 0 406.280 3.643 20 5 HHBDRO COc1ccc(CNC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000470078014 987976775 /nfs/dbraw/zinc/97/67/75/987976775.db2.gz CXKHPFXHTLVNDY-LJQANCHMSA-N 1 0 414.506 3.559 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000463916951 988025648 /nfs/dbraw/zinc/02/56/48/988025648.db2.gz WFZNPBLJDBHYJC-LIRRHRJNSA-N 1 0 403.454 3.926 20 5 HHBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2[N+](=O)[O-])C1 ZINC000463931068 988040052 /nfs/dbraw/zinc/04/00/52/988040052.db2.gz OSHFUVPNPGXIIP-XBPNIJIESA-N 1 0 414.550 3.822 20 5 HHBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000470155575 988066359 /nfs/dbraw/zinc/06/63/59/988066359.db2.gz ZNXLBQZJRMWTGO-HTAPYJJXSA-N 1 0 424.501 3.911 20 5 HHBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000470155576 988066580 /nfs/dbraw/zinc/06/65/80/988066580.db2.gz ZNXLBQZJRMWTGO-JTSKRJEESA-N 1 0 424.501 3.911 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000470164775 988077745 /nfs/dbraw/zinc/07/77/45/988077745.db2.gz YGZCUBOKLLMMDU-GOSISDBHSA-N 1 0 424.423 3.758 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@H](C[N@H+](C)CC4CC4)C3)cc2[N+](=O)[O-])C1 ZINC000470233626 988168448 /nfs/dbraw/zinc/16/84/48/988168448.db2.gz ZJGGXFQEJAQAPL-PKOBYXMFSA-N 1 0 414.550 3.635 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000470744186 988783569 /nfs/dbraw/zinc/78/35/69/988783569.db2.gz KMVUSIYUHKGQRK-UHFFFAOYSA-N 1 0 412.490 3.696 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000464607023 988789436 /nfs/dbraw/zinc/78/94/36/988789436.db2.gz XSQAWXJNUXXDLF-JSGCOSHPSA-N 1 0 403.483 3.541 20 5 HHBDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000464617857 988795381 /nfs/dbraw/zinc/79/53/81/988795381.db2.gz MDJBBIXLEMCOCZ-CYBMUJFWSA-N 1 0 401.467 3.504 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000464832850 989073680 /nfs/dbraw/zinc/07/36/80/989073680.db2.gz DFOHWNWRUJJLMJ-PKOBYXMFSA-N 1 0 410.518 3.827 20 5 HHBDRO CCSCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000464856032 989109021 /nfs/dbraw/zinc/10/90/21/989109021.db2.gz RHTHCBTVXAVEBV-LLVKDONJSA-N 1 0 404.330 3.759 20 5 HHBDRO C[C@@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000464903944 989176726 /nfs/dbraw/zinc/17/67/26/989176726.db2.gz MSISVCBFNOGADK-GOSISDBHSA-N 1 0 406.486 3.673 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471165126 989287439 /nfs/dbraw/zinc/28/74/39/989287439.db2.gz LXTJAUUEWBKAEK-LJQANCHMSA-N 1 0 412.490 3.533 20 5 HHBDRO C[C@H](CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000471444240 989628257 /nfs/dbraw/zinc/62/82/57/989628257.db2.gz PAORSUWBDHKNKZ-GOSISDBHSA-N 1 0 410.518 3.835 20 5 HHBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000465278012 989635998 /nfs/dbraw/zinc/63/59/98/989635998.db2.gz RONXHDCIIPVABC-MSOLQXFVSA-N 1 0 402.539 3.539 20 5 HHBDRO COc1ccc(CSCC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000471554808 989755205 /nfs/dbraw/zinc/75/52/05/989755205.db2.gz JJHPYHVJHOHJOS-BTYIYWSLSA-N 1 0 417.531 3.644 20 5 HHBDRO C[NH+](C)C1(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCCCC1 ZINC000465641408 990028394 /nfs/dbraw/zinc/02/83/94/990028394.db2.gz UVFMMIVHFFXRMU-UHFFFAOYSA-N 1 0 418.538 3.802 20 5 HHBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465743852 990128564 /nfs/dbraw/zinc/12/85/64/990128564.db2.gz VPQWHKTYGQBIAG-KURKYZTESA-N 1 0 418.538 3.514 20 5 HHBDRO CCc1ccc(C(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1[N+](=O)[O-] ZINC000471978295 990144783 /nfs/dbraw/zinc/14/47/83/990144783.db2.gz KALNHXMBTLYRJA-UHFFFAOYSA-N 1 0 411.502 3.808 20 5 HHBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000466073007 991246014 /nfs/dbraw/zinc/24/60/14/991246014.db2.gz CBVOLIHRUNGOPJ-KXBFYZLASA-N 1 0 402.520 3.881 20 5 HHBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000466073004 991246214 /nfs/dbraw/zinc/24/62/14/991246214.db2.gz CBVOLIHRUNGOPJ-BEFAXECRSA-N 1 0 402.520 3.881 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000466080941 991256906 /nfs/dbraw/zinc/25/69/06/991256906.db2.gz RXXAJWOTUGLMMV-SCLBCKFNSA-N 1 0 404.492 3.870 20 5 HHBDRO CCOc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1OCC ZINC000466176691 991368598 /nfs/dbraw/zinc/36/85/98/991368598.db2.gz JIFKOLHMQGQNHM-GOOCMWNKSA-N 1 0 406.483 3.529 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000466446617 991735721 /nfs/dbraw/zinc/73/57/21/991735721.db2.gz RZWVYXNDABNRDU-HNNXBMFYSA-N 1 0 423.391 3.513 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000466468962 991759998 /nfs/dbraw/zinc/75/99/98/991759998.db2.gz NJQUJEYEKKIVCF-UHFFFAOYSA-N 1 0 402.882 3.712 20 5 HHBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467114117 992427349 /nfs/dbraw/zinc/42/73/49/992427349.db2.gz MQJISTVJLDHPJI-OAHLLOKOSA-N 1 0 411.355 3.757 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000467561835 992842629 /nfs/dbraw/zinc/84/26/29/992842629.db2.gz GUJAKSQYKVSJAB-MRXNPFEDSA-N 1 0 408.911 3.946 20 5 HHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2(N3CCSCC3)CCCCC2)n1 ZINC000472628905 993570518 /nfs/dbraw/zinc/57/05/18/993570518.db2.gz JYPVYGQLWZVCLZ-ROUUACIJSA-N 1 0 407.584 3.616 20 5 HHBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480731283 993597869 /nfs/dbraw/zinc/59/78/69/993597869.db2.gz MCZLBQCCQIUJFK-HKUYNNGSSA-N 1 0 415.515 3.517 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000481232217 994062669 /nfs/dbraw/zinc/06/26/69/994062669.db2.gz WYPUFJHEPJJVDC-WOJBJXKFSA-N 1 0 411.458 3.752 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H](OC)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000481387822 994218984 /nfs/dbraw/zinc/21/89/84/994218984.db2.gz CMOMNSXMWJUGMC-CWTRNNRKSA-N 1 0 407.854 3.561 20 5 HHBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000473563137 994429490 /nfs/dbraw/zinc/42/94/90/994429490.db2.gz PBHMCGDVGIYXFC-UHFFFAOYSA-N 1 0 410.312 3.884 20 5 HHBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481673770 994533523 /nfs/dbraw/zinc/53/35/23/994533523.db2.gz UCZFBWIPRZNBNN-SJCJKPOMSA-N 1 0 411.911 3.958 20 5 HHBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000481762345 994615298 /nfs/dbraw/zinc/61/52/98/994615298.db2.gz SGNQUVLTMPKBAM-SJLPKXTDSA-N 1 0 418.519 3.840 20 5 HHBDRO Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000473780094 994703210 /nfs/dbraw/zinc/70/32/10/994703210.db2.gz HYWLWFDLLKCRKI-RTWAWAEBSA-N 1 0 417.554 3.704 20 5 HHBDRO Cc1cc(NC(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000473781276 994704007 /nfs/dbraw/zinc/70/40/07/994704007.db2.gz DNKGLZKPCIMXIH-CALCHBBNSA-N 1 0 404.511 3.646 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000481880562 994744556 /nfs/dbraw/zinc/74/45/56/994744556.db2.gz DRCGSXYOXGUMCR-NQIIRXRSSA-N 1 0 409.486 3.730 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc1[N+](=O)[O-] ZINC000473995170 994983363 /nfs/dbraw/zinc/98/33/63/994983363.db2.gz QLTMUKVFFFNQDV-MRXNPFEDSA-N 1 0 423.469 3.583 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)cc1[N+](=O)[O-] ZINC000474006765 994997359 /nfs/dbraw/zinc/99/73/59/994997359.db2.gz DVRHUKIPQLMNTR-MRXNPFEDSA-N 1 0 420.849 3.804 20 5 HHBDRO CCOC(=O)c1ccnc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000474185577 995175343 /nfs/dbraw/zinc/17/53/43/995175343.db2.gz QOPADVOWYJBCBD-QHCPKHFHSA-N 1 0 424.501 3.659 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCc2c(Cl)cccc2Cl)cc1 ZINC000482231853 995215203 /nfs/dbraw/zinc/21/52/03/995215203.db2.gz OPZICWPCDWKNDX-UHFFFAOYSA-N 1 0 417.314 3.898 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482292659 995271988 /nfs/dbraw/zinc/27/19/88/995271988.db2.gz GQUDGYZFOBDVPW-RBBKRZOGSA-N 1 0 408.502 3.791 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482292657 995272196 /nfs/dbraw/zinc/27/21/96/995272196.db2.gz GQUDGYZFOBDVPW-IRLDBZIGSA-N 1 0 408.502 3.791 20 5 HHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482312893 995291492 /nfs/dbraw/zinc/29/14/92/995291492.db2.gz SIEVMLDLLCEIJJ-FYYLOGMGSA-N 1 0 422.529 3.833 20 5 HHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000482506267 995515800 /nfs/dbraw/zinc/51/58/00/995515800.db2.gz JBKQLQQEIZRXDK-KRWDZBQOSA-N 1 0 417.531 3.663 20 5 HHBDRO COc1cc(C(=O)Nc2ccccc2CC[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000474642144 995586479 /nfs/dbraw/zinc/58/64/79/995586479.db2.gz VFXXSDFLHMWZSE-UHFFFAOYSA-N 1 0 409.389 3.561 20 5 HHBDRO COc1ccccc1OC[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000482664704 995656059 /nfs/dbraw/zinc/65/60/59/995656059.db2.gz QKXFRPORUKPJBY-INIZCTEOSA-N 1 0 410.474 3.809 20 5 HHBDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000482800296 995757548 /nfs/dbraw/zinc/75/75/48/995757548.db2.gz FTZJTMVUUULLQQ-UHFFFAOYSA-N 1 0 403.504 3.823 20 5 HHBDRO CCC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H]1CCCc2cccnc21 ZINC000475084342 995911131 /nfs/dbraw/zinc/91/11/31/995911131.db2.gz CPXXNZHVJOOTJT-SFHVURJKSA-N 1 0 413.474 3.831 20 5 HHBDRO COC(=O)COc1ccc(C[NH+]2CCC(c3cccc(OC)c3)CC2)cc1[N+](=O)[O-] ZINC000475113677 995930556 /nfs/dbraw/zinc/93/05/56/995930556.db2.gz FGGOAMNOFOSMJW-UHFFFAOYSA-N 1 0 414.458 3.535 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000483213815 996041262 /nfs/dbraw/zinc/04/12/62/996041262.db2.gz ODPUWOSKIVPHCJ-JZXOWHBKSA-N 1 0 421.563 3.811 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@](C)(O)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475339409 996078244 /nfs/dbraw/zinc/07/82/44/996078244.db2.gz VAIIQIYGAGMURK-JOCHJYFZSA-N 1 0 400.475 3.919 20 5 HHBDRO Cc1c(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000483365462 996128988 /nfs/dbraw/zinc/12/89/88/996128988.db2.gz OBUGCTPRSJVISH-BXUZGUMPSA-N 1 0 411.300 3.756 20 5 HHBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)cn1 ZINC000475511623 996191815 /nfs/dbraw/zinc/19/18/15/996191815.db2.gz VOIGZMXXTQDMEB-NWDGAFQWSA-N 1 0 407.268 3.820 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000475567591 996223022 /nfs/dbraw/zinc/22/30/22/996223022.db2.gz DGTDUFZBVDBLOV-IRXDYDNUSA-N 1 0 404.511 3.565 20 5 HHBDRO COC(=O)COc1ccc(C[NH+]2CCC(Nc3cccc(C)c3)CC2)cc1[N+](=O)[O-] ZINC000475719275 996322060 /nfs/dbraw/zinc/32/20/60/996322060.db2.gz GECTYEXJFQPPJF-UHFFFAOYSA-N 1 0 413.474 3.532 20 5 HHBDRO COc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000476058802 996572167 /nfs/dbraw/zinc/57/21/67/996572167.db2.gz DWMKSLAMBGVWHW-OAHLLOKOSA-N 1 0 423.391 3.627 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000484297467 996686514 /nfs/dbraw/zinc/68/65/14/996686514.db2.gz UJGBTNQOGCGTTJ-KRWDZBQOSA-N 1 0 407.474 3.541 20 5 HHBDRO COc1ccccc1-c1nc(C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000484325325 996704869 /nfs/dbraw/zinc/70/48/69/996704869.db2.gz PKFWLRVPRISCCG-UHFFFAOYSA-N 1 0 424.457 3.912 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2Oc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000484651832 996988561 /nfs/dbraw/zinc/98/85/61/996988561.db2.gz NUIBFGRXNIOCOO-CTNGQTDRSA-N 1 0 413.474 3.830 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2Oc2ccccc2C)c([N+](=O)[O-])c1 ZINC000484653809 996990623 /nfs/dbraw/zinc/99/06/23/996990623.db2.gz PFKRDXDUDNDGPF-WIYYLYMNSA-N 1 0 413.474 3.830 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc1SC ZINC000484706799 997046086 /nfs/dbraw/zinc/04/60/86/997046086.db2.gz LLWKANSDDXJRSN-QGZVFWFLSA-N 1 0 409.552 3.812 20 5 HHBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000484871096 997235618 /nfs/dbraw/zinc/23/56/18/997235618.db2.gz BLEKSSWEAAZQJM-WFASDCNBSA-N 1 0 400.353 3.584 20 5 HHBDRO CC[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)cn2)CC1 ZINC000484930339 997305855 /nfs/dbraw/zinc/30/58/55/997305855.db2.gz BLDQNGXRDZJISD-UHFFFAOYSA-N 1 0 413.522 3.921 20 5 HHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485336608 997753026 /nfs/dbraw/zinc/75/30/26/997753026.db2.gz HOZHNOGMJUEMLE-SYYKKAFVSA-N 1 0 422.529 3.908 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485365521 997791237 /nfs/dbraw/zinc/79/12/37/997791237.db2.gz WHVGLHDKRCUZFD-NHCUHLMSSA-N 1 0 422.529 3.828 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000485602378 998049835 /nfs/dbraw/zinc/04/98/35/998049835.db2.gz ULDYWRMWFUAPJC-LSDHHAIUSA-N 1 0 411.449 3.923 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000477381383 998068550 /nfs/dbraw/zinc/06/85/50/998068550.db2.gz CISIFQIJOPFCTN-LBPRGKRZSA-N 1 0 409.845 3.533 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000477501573 998222777 /nfs/dbraw/zinc/22/27/77/998222777.db2.gz PMBOWRVYTMVWPK-UHFFFAOYSA-N 1 0 405.857 3.711 20 5 HHBDRO CSc1cccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000485759423 998232159 /nfs/dbraw/zinc/23/21/59/998232159.db2.gz SGRAJZCNZCYOSN-UHFFFAOYSA-N 1 0 420.922 3.974 20 5 HHBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)n1 ZINC000477648049 998363951 /nfs/dbraw/zinc/36/39/51/998363951.db2.gz HPEUCHJBRXLULU-UHFFFAOYSA-N 1 0 422.485 3.666 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1SC ZINC000486048428 998498302 /nfs/dbraw/zinc/49/83/02/998498302.db2.gz XYAAQESEKWMTRB-INIZCTEOSA-N 1 0 421.563 3.909 20 5 HHBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 ZINC000486141203 998589728 /nfs/dbraw/zinc/58/97/28/998589728.db2.gz YKFAIINNCAEJAV-UHFFFAOYSA-N 1 0 403.504 3.529 20 5 HHBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2sc(Br)cc2[N+](=O)[O-])o1 ZINC000486305542 998704593 /nfs/dbraw/zinc/70/45/93/998704593.db2.gz SAQOMJKSCHUYHY-UHFFFAOYSA-N 1 0 416.297 3.524 20 5 HHBDRO COc1ccc2c(c1)[C@@H]([N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1)CCO2 ZINC000478032795 998724735 /nfs/dbraw/zinc/72/47/35/998724735.db2.gz YHPXFDAUAQFLGM-FQEVSTJZSA-N 1 0 408.458 3.826 20 5 HHBDRO COc1cc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1C ZINC000478105174 998762064 /nfs/dbraw/zinc/76/20/64/998762064.db2.gz ADEMJDCQUWNRFE-UHFFFAOYSA-N 1 0 418.881 3.569 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC000478272859 998856804 /nfs/dbraw/zinc/85/68/04/998856804.db2.gz LREWDOOWWSWXRF-ZDUSSCGKSA-N 1 0 402.344 3.573 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2OC(F)(F)F)c(F)c1 ZINC000478276837 998859213 /nfs/dbraw/zinc/85/92/13/998859213.db2.gz OZRAWHYYDAVFAE-GFCCVEGCSA-N 1 0 402.344 3.573 20 5 HHBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000478298610 998872592 /nfs/dbraw/zinc/87/25/92/998872592.db2.gz XLCWAFFIDSKXTQ-CQSZACIVSA-N 1 0 420.560 3.925 20 5 HHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000486833935 998962890 /nfs/dbraw/zinc/96/28/90/998962890.db2.gz LTIDTJCVASFHMM-PDSXEYIOSA-N 1 0 406.446 3.550 20 5 HHBDRO Cc1c(C[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)cccc1[N+](=O)[O-] ZINC000478504751 998998964 /nfs/dbraw/zinc/99/89/64/998998964.db2.gz CXDXRMDGFHTFNN-QZTJIDSGSA-N 1 0 407.470 3.990 20 5 HHBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC([NH+]2CCCC2)CC1 ZINC000486939542 999013039 /nfs/dbraw/zinc/01/30/39/999013039.db2.gz OHCKDFQKTDNMFJ-UHFFFAOYSA-N 1 0 405.296 3.970 20 5 HHBDRO C[C@@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000478565153 999027261 /nfs/dbraw/zinc/02/72/61/999027261.db2.gz UELAFOGVCLCAIB-KBPBESRZSA-N 1 0 416.444 3.652 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000487474777 999190726 /nfs/dbraw/zinc/19/07/26/999190726.db2.gz YURRXQHOQCFNNS-JQHSSLGASA-N 1 0 411.506 3.766 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000478982492 999233768 /nfs/dbraw/zinc/23/37/68/999233768.db2.gz KRWVDFQEENYEIP-GOSISDBHSA-N 1 0 421.494 3.505 20 5 HHBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487913041 999313492 /nfs/dbraw/zinc/31/34/92/999313492.db2.gz NMXCXLPSSMMKRW-SFHVURJKSA-N 1 0 411.506 3.509 20 5 HHBDRO O=C(c1cc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000487975241 999333204 /nfs/dbraw/zinc/33/32/04/999333204.db2.gz NOEFRJYPYOKZLX-FQEVSTJZSA-N 1 0 422.529 3.807 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccco1 ZINC000487977001 999333872 /nfs/dbraw/zinc/33/38/72/999333872.db2.gz IMXUUAIAYXFQGI-IBGZPJMESA-N 1 0 400.479 3.945 20 5 HHBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C2)CC1 ZINC000488464785 999495252 /nfs/dbraw/zinc/49/52/52/999495252.db2.gz AQRHJDCSRLITCR-OAHLLOKOSA-N 1 0 411.449 3.780 20 5 HHBDRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000479621821 999505178 /nfs/dbraw/zinc/50/51/78/999505178.db2.gz SFLWBOBIHKHSDJ-UHFFFAOYSA-N 1 0 423.498 3.508 20 5 HHBDRO COc1cccc(C2=CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)c1 ZINC000479885004 999636161 /nfs/dbraw/zinc/63/61/61/999636161.db2.gz KUNWSYQCJQYTFY-UHFFFAOYSA-N 1 0 411.458 3.730 20 5 HHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)CC2)n1 ZINC000489006425 999669955 /nfs/dbraw/zinc/66/99/55/999669955.db2.gz GKKSPRPPJCAHOX-GOSISDBHSA-N 1 0 419.485 3.597 20 5 HHBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000480058610 999704909 /nfs/dbraw/zinc/70/49/09/999704909.db2.gz KKVKDDCZIWAGJW-UHFFFAOYSA-N 1 0 400.479 3.623 20 5 HHBDRO Cc1c(CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000480062099 999706101 /nfs/dbraw/zinc/70/61/01/999706101.db2.gz YTNCOAAVZUQZBL-UHFFFAOYSA-N 1 0 404.898 3.830 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000489135673 999709388 /nfs/dbraw/zinc/70/93/88/999709388.db2.gz HSQWYTFKHDDPJJ-RTWAWAEBSA-N 1 0 423.561 3.893 20 5 HHBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000480399198 999789616 /nfs/dbraw/zinc/78/96/16/999789616.db2.gz VZLDSUXYDIDQPG-AWEZNQCLSA-N 1 0 405.296 3.970 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000489595571 999799387 /nfs/dbraw/zinc/79/93/87/999799387.db2.gz JQFKRHZDJWKSEC-IBGZPJMESA-N 1 0 408.502 3.765 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000489603798 999801027 /nfs/dbraw/zinc/80/10/27/999801027.db2.gz INUIJNODOBKFNK-UHFFFAOYSA-N 1 0 423.517 3.933 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(F)cc1 ZINC000489707073 999821757 /nfs/dbraw/zinc/82/17/57/999821757.db2.gz DJEBJKBBLCZKRQ-FQEVSTJZSA-N 1 0 400.454 3.711 20 5 HHBDRO O=C(c1ccccc1F)N1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000480620032 999842803 /nfs/dbraw/zinc/84/28/03/999842803.db2.gz YDNWBUYFJJBUQB-NRFANRHFSA-N 1 0 411.477 3.949 20 5 HHBDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(C(F)(F)F)cs1 ZINC000490090917 999891841 /nfs/dbraw/zinc/89/18/41/999891841.db2.gz HQFZBFOVYWVQND-VIFPVBQESA-N 1 0 416.381 3.719 20 5 HHBDRO C[NH+]1CCN(c2cc(CN[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)ccn2)CC1 ZINC000490134740 999898199 /nfs/dbraw/zinc/89/81/99/999898199.db2.gz CQZOTHKLGXWNOL-DEOSSOPVSA-N 1 0 417.513 3.621 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000490227090 999915568 /nfs/dbraw/zinc/91/55/68/999915568.db2.gz LCXVRGICRIDALA-LQWHRVPQSA-N 1 0 411.502 3.906 20 5 HHBDRO C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 ZINC000490394227 999950351 /nfs/dbraw/zinc/95/03/51/999950351.db2.gz BYUHBOOFRBBBLU-UHFFFAOYSA-N 1 0 402.882 3.638 20 5 HHBDRO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCC[N@@H+]1Cc1ccccc1 ZINC000490523670 999971968 /nfs/dbraw/zinc/97/19/68/999971968.db2.gz HQXKNOYKHOEQBM-HSZRJFAPSA-N 1 0 404.470 3.928 20 5 HHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c2ccccc2)c1 ZINC000491008018 1000033574 /nfs/dbraw/zinc/03/35/74/1000033574.db2.gz OZTGRODRRRIJJD-XMSQKQJNSA-N 1 0 414.408 3.992 20 5 HHBDRO COc1cc(C[NH2+]Cc2cccc(-n3ccnc3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491043052 1000038712 /nfs/dbraw/zinc/03/87/12/1000038712.db2.gz YRYUARMUFYPSDT-UHFFFAOYSA-N 1 0 418.400 3.723 20 5 HHBDRO O=C(CC[NH+]1CCC2(CC1)OCCc1ccsc12)Nc1ccc([N+](=O)[O-])cc1 ZINC000492629218 1000135980 /nfs/dbraw/zinc/13/59/80/1000135980.db2.gz NNSLUUSWFKZUMO-UHFFFAOYSA-N 1 0 401.488 3.549 20 5 HHBDRO CCOc1cc(C[NH+]2CCC(n3cc(Br)cn3)CC2)ccc1[N+](=O)[O-] ZINC000492633901 1000136357 /nfs/dbraw/zinc/13/63/57/1000136357.db2.gz VWNIIOLCAAPCEP-UHFFFAOYSA-N 1 0 409.284 3.790 20 5 HHBDRO Cc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000493236012 1000164343 /nfs/dbraw/zinc/16/43/43/1000164343.db2.gz ITRHYWTXPSZDGV-INIZCTEOSA-N 1 0 402.470 3.877 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000493999691 1000260458 /nfs/dbraw/zinc/26/04/58/1000260458.db2.gz LHWLHGYUTAUBCB-QUCCMNQESA-N 1 0 405.401 3.630 20 5 HHBDRO C[C@H]1[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000494046870 1000282264 /nfs/dbraw/zinc/28/22/64/1000282264.db2.gz HFDVBWCWQJPRIM-SUMWQHHRSA-N 1 0 418.291 3.750 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000504899619 1000436036 /nfs/dbraw/zinc/43/60/36/1000436036.db2.gz JKKVGFFVIZTCGK-WMZOPIPTSA-N 1 0 416.547 3.875 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000504905503 1000439370 /nfs/dbraw/zinc/43/93/70/1000439370.db2.gz JMIZQWIRNRAEBB-GOEBONIOSA-N 1 0 423.560 3.724 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000504905287 1000439715 /nfs/dbraw/zinc/43/97/15/1000439715.db2.gz GEYHERLSFCCLCX-QGZVFWFLSA-N 1 0 408.545 3.800 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000504906382 1000440120 /nfs/dbraw/zinc/44/01/20/1000440120.db2.gz XGYPVMUXJCOFSX-FXAWDEMLSA-N 1 0 411.502 3.878 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000504912281 1000443533 /nfs/dbraw/zinc/44/35/33/1000443533.db2.gz TWQPJSBPZMWQEE-PXNSSMCTSA-N 1 0 411.502 3.878 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504919948 1000448955 /nfs/dbraw/zinc/44/89/55/1000448955.db2.gz LXUWUBGKOWZQMV-HRAATJIYSA-N 1 0 417.481 3.857 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1[N+](=O)[O-] ZINC000504925825 1000452168 /nfs/dbraw/zinc/45/21/68/1000452168.db2.gz FONAZMTUZKQCMS-YYWHXJBOSA-N 1 0 413.518 3.527 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494496033 1000524372 /nfs/dbraw/zinc/52/43/72/1000524372.db2.gz OEWPMNIJVFNQDO-UZLBHIALSA-N 1 0 419.865 3.705 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000494499743 1000526160 /nfs/dbraw/zinc/52/61/60/1000526160.db2.gz AVUDBIZZOAPHKP-KHDYIWLOSA-N 1 0 419.865 3.704 20 5 HHBDRO CC1CC[NH+](C2CCC(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CC2)CC1 ZINC000505105855 1000553101 /nfs/dbraw/zinc/55/31/01/1000553101.db2.gz WRGYRTJCWQVTPE-UHFFFAOYSA-N 1 0 411.506 3.553 20 5 HHBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000494680250 1000600646 /nfs/dbraw/zinc/60/06/46/1000600646.db2.gz MRLKULAXOCLJOP-SJORKVTESA-N 1 0 400.422 3.685 20 5 HHBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505280072 1000666966 /nfs/dbraw/zinc/66/69/66/1000666966.db2.gz SFMZJOHBASGDSJ-UHFFFAOYSA-N 1 0 400.523 3.897 20 5 HHBDRO C[N@H+](C[C@@H]1CCOC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000494964331 1000755017 /nfs/dbraw/zinc/75/50/17/1000755017.db2.gz OLACKJRMUCZERC-IFXJQAMLSA-N 1 0 403.866 3.896 20 5 HHBDRO COCC[N@H+](C)CC[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccccc1 ZINC000505481569 1000807681 /nfs/dbraw/zinc/80/76/81/1000807681.db2.gz SPALINLSRNAVPC-SFHVURJKSA-N 1 0 410.474 3.516 20 5 HHBDRO C[NH+](C)CC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)(C)C ZINC000495232153 1000927410 /nfs/dbraw/zinc/92/74/10/1000927410.db2.gz XHSRHZCGUXOHOE-OAHLLOKOSA-N 1 0 404.433 3.779 20 5 HHBDRO CC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000495437993 1001012100 /nfs/dbraw/zinc/01/21/00/1001012100.db2.gz FPQCEGPCQKOVLQ-SFHVURJKSA-N 1 0 419.909 3.999 20 5 HHBDRO Cc1ccc(NC(=O)c2ccc(NCC3([NH+](C)C)CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000505779903 1001019639 /nfs/dbraw/zinc/01/96/39/1001019639.db2.gz ZLYASCUJLSUICC-UHFFFAOYSA-N 1 0 412.490 3.678 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000505925056 1001105354 /nfs/dbraw/zinc/10/53/54/1001105354.db2.gz NTQFVSYPRSFCDJ-ROUUACIJSA-N 1 0 411.506 3.507 20 5 HHBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000506244929 1001303267 /nfs/dbraw/zinc/30/32/67/1001303267.db2.gz FYHPBLBNEBFCMN-MRXNPFEDSA-N 1 0 422.279 3.670 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3C[N@H+](C)C[C@@H]3c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000497404406 1001341886 /nfs/dbraw/zinc/34/18/86/1001341886.db2.gz WFVYIBIGBRAOLX-DUXKGJEZSA-N 1 0 422.529 3.659 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506475688 1001429849 /nfs/dbraw/zinc/42/98/49/1001429849.db2.gz YIGJASHWVZFMMQ-ZWKOTPCHSA-N 1 0 418.538 3.518 20 5 HHBDRO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000506479468 1001431982 /nfs/dbraw/zinc/43/19/82/1001431982.db2.gz XPDCSGYHBKBTEK-JOCHJYFZSA-N 1 0 405.502 3.702 20 5 HHBDRO O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000497580435 1001444973 /nfs/dbraw/zinc/44/49/73/1001444973.db2.gz BWIMMIFNNZHEQK-UHFFFAOYSA-N 1 0 423.513 3.604 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000506647855 1001482357 /nfs/dbraw/zinc/48/23/57/1001482357.db2.gz XYPBXNBTBPAZEW-UHFFFAOYSA-N 1 0 408.502 3.853 20 5 HHBDRO C[NH+](C)C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000497784255 1001513553 /nfs/dbraw/zinc/51/35/53/1001513553.db2.gz SVSWPHUKKGAPGQ-HXUWFJFHSA-N 1 0 402.470 3.659 20 5 HHBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@@H+]1CCc2ccccc2C1 ZINC000497894634 1001553842 /nfs/dbraw/zinc/55/38/42/1001553842.db2.gz PIXFGEPAFOTCJW-UHFFFAOYSA-N 1 0 404.470 3.710 20 5 HHBDRO COc1cccc([C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[NH+]2CCCC2)c1 ZINC000506857823 1001568340 /nfs/dbraw/zinc/56/83/40/1001568340.db2.gz QOJUWMNUSIABHB-OAQYLSRUSA-N 1 0 410.474 3.737 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000498070204 1001629732 /nfs/dbraw/zinc/62/97/32/1001629732.db2.gz RFGMKHVDLSUPDH-GOSISDBHSA-N 1 0 403.866 3.824 20 5 HHBDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498188080 1001680116 /nfs/dbraw/zinc/68/01/16/1001680116.db2.gz SVJZKGASMWQMEA-UHFFFAOYSA-N 1 0 410.499 3.847 20 5 HHBDRO CCCCNC(=O)C1CC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000507021458 1001768097 /nfs/dbraw/zinc/76/80/97/1001768097.db2.gz JNQKNGFNWXMJOW-UHFFFAOYSA-N 1 0 415.490 3.992 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000498411973 1001840833 /nfs/dbraw/zinc/84/08/33/1001840833.db2.gz ULKWOGIINMZYMG-GJZGRUSLSA-N 1 0 402.520 3.816 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000507290386 1001973917 /nfs/dbraw/zinc/97/39/17/1001973917.db2.gz JCDOTPQMNPTONL-OALUTQOASA-N 1 0 421.563 3.595 20 5 HHBDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000507316790 1001996040 /nfs/dbraw/zinc/99/60/40/1001996040.db2.gz HRDFRPZOVAAOCF-INIZCTEOSA-N 1 0 423.560 3.617 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000507369751 1002028085 /nfs/dbraw/zinc/02/80/85/1002028085.db2.gz GAMFEEPOIUTTIX-IAGOWNOFSA-N 1 0 411.506 3.767 20 5 HHBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(CC[NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000498639449 1002041176 /nfs/dbraw/zinc/04/11/76/1002041176.db2.gz SBJRXHNPBUBXMY-ROUUACIJSA-N 1 0 416.566 3.881 20 5 HHBDRO CC[NH+](CC)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1cccc(OC)c1 ZINC000498845526 1002230470 /nfs/dbraw/zinc/23/04/70/1002230470.db2.gz SYDSFKWVNKZWGU-NRFANRHFSA-N 1 0 412.490 3.983 20 5 HHBDRO COc1cc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])cc1O ZINC000507911625 1002445343 /nfs/dbraw/zinc/44/53/43/1002445343.db2.gz CMIWSBKYEGKWHD-UHFFFAOYSA-N 1 0 414.487 3.677 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NCC[N@H+]3CCC[C@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000499182764 1002572744 /nfs/dbraw/zinc/57/27/44/1002572744.db2.gz BNXNXASSNJQYIY-ZDUSSCGKSA-N 1 0 420.560 3.973 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000499731309 1003077838 /nfs/dbraw/zinc/07/78/38/1003077838.db2.gz KPPJHZHZVYCIGF-RTBURBONSA-N 1 0 424.545 3.935 20 5 HHBDRO CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000500002653 1003324497 /nfs/dbraw/zinc/32/44/97/1003324497.db2.gz IDMDDOFNOBQZND-YJBOKZPZSA-N 1 0 407.474 3.769 20 5 HHBDRO COc1cc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])c(SC)cc1OC ZINC000500100624 1003463059 /nfs/dbraw/zinc/46/30/59/1003463059.db2.gz YVHQKJAYLVSXQE-UHFFFAOYSA-N 1 0 419.503 3.795 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000500147709 1003504722 /nfs/dbraw/zinc/50/47/22/1003504722.db2.gz ITTXNVSWZWZBHV-UGSOOPFHSA-N 1 0 407.392 3.864 20 5 HHBDRO C[C@H]([NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H]1CCOC1 ZINC000500214490 1003556662 /nfs/dbraw/zinc/55/66/62/1003556662.db2.gz AEHXWJXINRVNSX-ZBQZNYHESA-N 1 0 403.866 3.943 20 5 HHBDRO COc1ccc(C[NH2+]CCCN2CCN(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000500486151 1003743016 /nfs/dbraw/zinc/74/30/16/1003743016.db2.gz KUAIPINHBCSIDE-UHFFFAOYSA-N 1 0 418.925 3.559 20 5 HHBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000500618965 1003835109 /nfs/dbraw/zinc/83/51/09/1003835109.db2.gz RRSFCWKOHDGFOP-ZNMIVQPWSA-N 1 0 402.520 3.815 20 5 HHBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000509432789 1003858653 /nfs/dbraw/zinc/85/86/53/1003858653.db2.gz NGCZXRGKWMZNFZ-UHFFFAOYSA-N 1 0 422.529 3.632 20 5 HHBDRO NC(=O)c1ccc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000509509791 1003912822 /nfs/dbraw/zinc/91/28/22/1003912822.db2.gz ICLMLOJFYKVHFB-RBBKRZOGSA-N 1 0 416.481 3.774 20 5 HHBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000509558483 1003944615 /nfs/dbraw/zinc/94/46/15/1003944615.db2.gz QXEVBFIJUCZERT-QAPCUYQASA-N 1 0 400.479 3.991 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+][C@@H](C)CN3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000509568997 1003950579 /nfs/dbraw/zinc/95/05/79/1003950579.db2.gz LKMLPEXKMXCISN-KRWDZBQOSA-N 1 0 401.532 3.865 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CCCC34CC[NH+](C)CC4)cc2[N+](=O)[O-])CC1 ZINC000509618212 1003983777 /nfs/dbraw/zinc/98/37/77/1003983777.db2.gz MWXOAWGPRNZHSL-UHFFFAOYSA-N 1 0 400.523 3.532 20 5 HHBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000500862187 1004010272 /nfs/dbraw/zinc/01/02/72/1004010272.db2.gz GISGKTCBNSPKKD-UHFFFAOYSA-N 1 0 401.492 3.517 20 5 HHBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000512155515 1004063434 /nfs/dbraw/zinc/06/34/34/1004063434.db2.gz IRFWHOYZDXUBPM-SFHVURJKSA-N 1 0 416.547 3.752 20 5 HHBDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501009547 1004114120 /nfs/dbraw/zinc/11/41/20/1004114120.db2.gz CQGMQTSVZVZKIM-KRWDZBQOSA-N 1 0 407.474 3.746 20 5 HHBDRO O=C(CC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501038897 1004141095 /nfs/dbraw/zinc/14/10/95/1004141095.db2.gz ZKNHIKXELDQKDJ-KRWDZBQOSA-N 1 0 420.473 3.588 20 5 HHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512278572 1004179173 /nfs/dbraw/zinc/17/91/73/1004179173.db2.gz PWAGRHAGYHIFEZ-WZONZLPQSA-N 1 0 408.502 3.520 20 5 HHBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512294476 1004198089 /nfs/dbraw/zinc/19/80/89/1004198089.db2.gz XWLPHJOBAOBTNA-JPYJTQIMSA-N 1 0 408.502 3.520 20 5 HHBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCc2ccccc2C1 ZINC000512318307 1004213331 /nfs/dbraw/zinc/21/33/31/1004213331.db2.gz NFBBHJKKKMEPBT-OAHLLOKOSA-N 1 0 418.291 3.785 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000510048726 1004289597 /nfs/dbraw/zinc/28/95/97/1004289597.db2.gz HVWVFHVWCPMRPI-IYBDPMFKSA-N 1 0 419.403 3.818 20 5 HHBDRO C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000501247163 1004311197 /nfs/dbraw/zinc/31/11/97/1004311197.db2.gz INKLXLDVXRMHIS-KUHUBIRLSA-N 1 0 404.898 3.781 20 5 HHBDRO COc1cc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000512485876 1004336976 /nfs/dbraw/zinc/33/69/76/1004336976.db2.gz JGNSPPAZUMQLFB-UKRRQHHQSA-N 1 0 402.438 3.763 20 5 HHBDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000510193360 1004387950 /nfs/dbraw/zinc/38/79/50/1004387950.db2.gz QECWNQWECBMNFV-SCTDSRPQSA-N 1 0 400.475 3.816 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCCC2(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000512627311 1004440689 /nfs/dbraw/zinc/44/06/89/1004440689.db2.gz DDGGISVDRCVLNP-UHFFFAOYSA-N 1 0 402.495 3.952 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000512683803 1004490887 /nfs/dbraw/zinc/49/08/87/1004490887.db2.gz XRCMLEFDUOSLLY-KDURUIRLSA-N 1 0 412.534 3.845 20 5 HHBDRO CC(C)Oc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000512807211 1004570680 /nfs/dbraw/zinc/57/06/80/1004570680.db2.gz FASFZULUHKIVPJ-NRFANRHFSA-N 1 0 414.506 3.826 20 5 HHBDRO COc1cc(CN2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000510469485 1004588110 /nfs/dbraw/zinc/58/81/10/1004588110.db2.gz NZQXJYVBFGHGCF-HNNXBMFYSA-N 1 0 417.428 3.605 20 5 HHBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000512898414 1004666694 /nfs/dbraw/zinc/66/66/94/1004666694.db2.gz BRGCKAPSHSOSFB-MAUKXSAKSA-N 1 0 423.560 3.521 20 5 HHBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000512958290 1004728033 /nfs/dbraw/zinc/72/80/33/1004728033.db2.gz FGBJGUIXBADOLW-PBHICJAKSA-N 1 0 421.906 3.553 20 5 HHBDRO Cc1nc2ccccc2n1C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000501871944 1004788559 /nfs/dbraw/zinc/78/85/59/1004788559.db2.gz PVOYFJFPUSBWFP-UHFFFAOYSA-N 1 0 407.474 3.919 20 5 HHBDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000513067459 1004789187 /nfs/dbraw/zinc/78/91/87/1004789187.db2.gz DXOVAOKPPINEQG-NEKXEHSPSA-N 1 0 403.508 3.665 20 5 HHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 ZINC000501901537 1004802448 /nfs/dbraw/zinc/80/24/48/1004802448.db2.gz WRZDCBNMMOFUHP-UHFFFAOYSA-N 1 0 423.416 3.587 20 5 HHBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000513106563 1004810473 /nfs/dbraw/zinc/81/04/73/1004810473.db2.gz NYPPMDFASQBUAK-UHFFFAOYSA-N 1 0 419.428 3.933 20 5 HHBDRO O=C(C[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000513196796 1004855870 /nfs/dbraw/zinc/85/58/70/1004855870.db2.gz QZJRDCLLTPBGLW-LJQANCHMSA-N 1 0 423.391 3.544 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCc4cccc(Br)c4C3)nc2c1 ZINC000513272919 1004890290 /nfs/dbraw/zinc/89/02/90/1004890290.db2.gz UGDGZHKNBUNBIJ-LBPRGKRZSA-N 1 0 401.264 3.881 20 5 HHBDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1)C(C)C ZINC000510878218 1004906027 /nfs/dbraw/zinc/90/60/27/1004906027.db2.gz CAXGQDHDUMFCOU-UHFFFAOYSA-N 1 0 410.518 3.788 20 5 HHBDRO CC(C)[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000513386384 1004937626 /nfs/dbraw/zinc/93/76/26/1004937626.db2.gz KJPXOIXPYDJZRR-UHFFFAOYSA-N 1 0 424.501 3.961 20 5 HHBDRO O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000510929510 1004938711 /nfs/dbraw/zinc/93/87/11/1004938711.db2.gz MMAIKWSHCOIYNS-CBQOVEMMSA-N 1 0 423.513 3.576 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2n[nH]cc2c1 ZINC000513402436 1004945968 /nfs/dbraw/zinc/94/59/68/1004945968.db2.gz WYIYXFUTTQZHNS-GFCCVEGCSA-N 1 0 422.470 3.884 20 5 HHBDRO COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)[NH+]2CCCCC2)cc1 ZINC000511061170 1005002778 /nfs/dbraw/zinc/00/27/78/1005002778.db2.gz BTWYIWOMYFAHDB-FQEVSTJZSA-N 1 0 413.474 3.569 20 5 HHBDRO CCCOc1cc(NC(=O)N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])cc1OCCC ZINC000502329127 1005015325 /nfs/dbraw/zinc/01/53/25/1005015325.db2.gz YNGOBDWLOYKITR-UHFFFAOYSA-N 1 0 420.510 3.874 20 5 HHBDRO COCCCNC(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000511140694 1005041813 /nfs/dbraw/zinc/04/18/13/1005041813.db2.gz UGICDPMNAADIMN-UHFFFAOYSA-N 1 0 417.531 3.688 20 5 HHBDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2csc([N+](=O)[O-])c2)ccc1Cl ZINC000511212699 1005076753 /nfs/dbraw/zinc/07/67/53/1005076753.db2.gz HBVIZNVHNFARCP-UHFFFAOYSA-N 1 0 424.910 3.634 20 5 HHBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513736259 1005103108 /nfs/dbraw/zinc/10/31/08/1005103108.db2.gz YHMKLQSHPDEBHJ-UHFFFAOYSA-N 1 0 407.417 3.966 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(C(F)(F)F)cc1 ZINC000502528421 1005104195 /nfs/dbraw/zinc/10/41/95/1005104195.db2.gz BRDWWSRJZBEWJM-MRXNPFEDSA-N 1 0 412.412 3.765 20 5 HHBDRO C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511285126 1005107628 /nfs/dbraw/zinc/10/76/28/1005107628.db2.gz FUNAAZVVFNGHKP-WMZOPIPTSA-N 1 0 400.523 3.578 20 5 HHBDRO C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511285123 1005107722 /nfs/dbraw/zinc/10/77/22/1005107722.db2.gz FUNAAZVVFNGHKP-AEFFLSMTSA-N 1 0 400.523 3.578 20 5 HHBDRO COc1ccc(CSCC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000511290164 1005109988 /nfs/dbraw/zinc/10/99/88/1005109988.db2.gz SACRKUHQEYMULT-WBVHZDCISA-N 1 0 421.563 3.606 20 5 HHBDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000513790119 1005128467 /nfs/dbraw/zinc/12/84/67/1005128467.db2.gz SDALOLWGEXIABN-KNBMTAEXSA-N 1 0 417.531 3.565 20 5 HHBDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000513790121 1005128479 /nfs/dbraw/zinc/12/84/79/1005128479.db2.gz SDALOLWGEXIABN-VPWXQRGCSA-N 1 0 417.531 3.565 20 5 HHBDRO C[C@@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000513820294 1005143733 /nfs/dbraw/zinc/14/37/33/1005143733.db2.gz MRRBNWUAJPWOOX-QGZVFWFLSA-N 1 0 413.543 3.997 20 5 HHBDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513826116 1005147289 /nfs/dbraw/zinc/14/72/89/1005147289.db2.gz PCHFPRUCUCCEST-URVUXULASA-N 1 0 423.561 3.501 20 5 HHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000513911618 1005184331 /nfs/dbraw/zinc/18/43/31/1005184331.db2.gz RMAMKDFGHHXXFU-IBGZPJMESA-N 1 0 407.474 3.502 20 5 HHBDRO COc1cccc([C@@H]2C[C@@H](O)C[N@@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000502807627 1005226289 /nfs/dbraw/zinc/22/62/89/1005226289.db2.gz GLKXNXDWLFTCTJ-QUCCMNQESA-N 1 0 409.442 3.609 20 5 HHBDRO C[N@H+]([C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H]1CCC[C@H]1O ZINC000511573341 1005229890 /nfs/dbraw/zinc/22/98/90/1005229890.db2.gz HWBCXPOGGCMYPM-GUDVDZBRSA-N 1 0 403.866 3.773 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000502875860 1005254139 /nfs/dbraw/zinc/25/41/39/1005254139.db2.gz NLDYRURGENREBV-OAQYLSRUSA-N 1 0 401.438 3.811 20 5 HHBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000502919221 1005274900 /nfs/dbraw/zinc/27/49/00/1005274900.db2.gz MJVZNVOEEDKGGW-LJQANCHMSA-N 1 0 403.526 3.632 20 5 HHBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc([N+](=O)[O-])c1C ZINC000511739857 1005301282 /nfs/dbraw/zinc/30/12/82/1005301282.db2.gz DXCGDCDDVXZRFV-NRFANRHFSA-N 1 0 411.502 3.942 20 5 HHBDRO Cc1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c(OCC[NH+](C)C)c1 ZINC000514186357 1005303490 /nfs/dbraw/zinc/30/34/90/1005303490.db2.gz PAMUVYPXYNNVPI-UHFFFAOYSA-N 1 0 409.389 3.697 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000511783732 1005326348 /nfs/dbraw/zinc/32/63/48/1005326348.db2.gz DEHYGXWSFKWJJK-DXIQSLLYSA-N 1 0 409.486 3.736 20 5 HHBDRO Cc1c(CNC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000503099674 1005347150 /nfs/dbraw/zinc/34/71/50/1005347150.db2.gz YJNGZDOTMMXGHZ-OAQYLSRUSA-N 1 0 414.506 3.793 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cccc1[N+](=O)[O-] ZINC000503377420 1005402322 /nfs/dbraw/zinc/40/23/22/1005402322.db2.gz LOYZOMASAWFZBW-KRWDZBQOSA-N 1 0 411.506 3.644 20 5 HHBDRO CC(C)[NH+](CCN(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000504009163 1005531575 /nfs/dbraw/zinc/53/15/75/1005531575.db2.gz JLDAIUAFZLFWRL-UHFFFAOYSA-N 1 0 412.339 3.641 20 5 HHBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000534134665 1006114714 /nfs/dbraw/zinc/11/47/14/1006114714.db2.gz NAMRCRWYFPASLE-HNNXBMFYSA-N 1 0 412.273 3.607 20 5 HHBDRO COC(=O)c1ccccc1C(=O)c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000514922847 1006206205 /nfs/dbraw/zinc/20/62/05/1006206205.db2.gz CILZGGYMUVCCPL-OAHLLOKOSA-N 1 0 423.469 3.509 20 5 HHBDRO COc1cc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000534229752 1006228691 /nfs/dbraw/zinc/22/86/91/1006228691.db2.gz KCIQMYVLGQAAJQ-IFXJQAMLSA-N 1 0 421.856 3.819 20 5 HHBDRO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534359498 1006323680 /nfs/dbraw/zinc/32/36/80/1006323680.db2.gz JTXREKIRQMOTHX-VQTJNVASSA-N 1 0 422.957 3.657 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531818512 1006448560 /nfs/dbraw/zinc/44/85/60/1006448560.db2.gz WLCSHDHUPSYPSG-SFHVURJKSA-N 1 0 408.458 3.553 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000531888822 1006499982 /nfs/dbraw/zinc/49/99/82/1006499982.db2.gz ZAVQQJVFRDPBDR-QGZVFWFLSA-N 1 0 410.396 3.822 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000534541459 1006532056 /nfs/dbraw/zinc/53/20/56/1006532056.db2.gz MOXQHIXPEQUXJX-INIZCTEOSA-N 1 0 403.504 3.797 20 5 HHBDRO COc1cccc([C@@H](CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)[NH+](C)C)c1 ZINC000515583026 1006548363 /nfs/dbraw/zinc/54/83/63/1006548363.db2.gz ZTNSYFZBEHDIPF-HXUWFJFHSA-N 1 0 407.474 3.506 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000534580676 1006567927 /nfs/dbraw/zinc/56/79/27/1006567927.db2.gz MPUOSFGWFGQZMB-GOSISDBHSA-N 1 0 407.474 3.746 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000515762659 1006654101 /nfs/dbraw/zinc/65/41/01/1006654101.db2.gz JVOCQMOZAKUCQM-IAGOWNOFSA-N 1 0 417.531 3.551 20 5 HHBDRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000532139478 1006666941 /nfs/dbraw/zinc/66/69/41/1006666941.db2.gz ZRMICHBNPCGMGA-ZDUSSCGKSA-N 1 0 412.895 3.953 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000538426692 1006693401 /nfs/dbraw/zinc/69/34/01/1006693401.db2.gz RCQSPQOPXWIJGB-IBGZPJMESA-N 1 0 411.502 3.795 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000532187464 1006706690 /nfs/dbraw/zinc/70/66/90/1006706690.db2.gz SMIIOIIJNMJQPS-XLIONFOSSA-N 1 0 402.564 3.556 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCc4c[nH]nc4C3)o2)c(Br)c1 ZINC000532328690 1006796346 /nfs/dbraw/zinc/79/63/46/1006796346.db2.gz HZIYXUANUYZLNW-LBPRGKRZSA-N 1 0 417.263 3.988 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H](C)CCS(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000532394790 1006842591 /nfs/dbraw/zinc/84/25/91/1006842591.db2.gz SFBPABHNCZAEJV-OAHLLOKOSA-N 1 0 408.545 3.967 20 5 HHBDRO COc1ccc(CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccccc2)cc1 ZINC000534869166 1006895352 /nfs/dbraw/zinc/89/53/52/1006895352.db2.gz MSDNPOGMENWXTJ-UHFFFAOYSA-N 1 0 407.470 3.510 20 5 HHBDRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532523590 1006961111 /nfs/dbraw/zinc/96/11/11/1006961111.db2.gz RFGCAWUWTUSPBS-MRXNPFEDSA-N 1 0 414.506 3.665 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000532576232 1007007331 /nfs/dbraw/zinc/00/73/31/1007007331.db2.gz CYPMPMNUHXFDCU-LJQANCHMSA-N 1 0 410.518 3.828 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000532581405 1007015693 /nfs/dbraw/zinc/01/56/93/1007015693.db2.gz MMLFEIZXLNQHLI-KRWDZBQOSA-N 1 0 413.449 3.966 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3OCc3ccncc3)C2)nc1 ZINC000538736380 1007018611 /nfs/dbraw/zinc/01/86/11/1007018611.db2.gz YJDKUMAMMCPNKG-IBGZPJMESA-N 1 0 405.458 3.650 20 5 HHBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534967714 1007021806 /nfs/dbraw/zinc/02/18/06/1007021806.db2.gz YUSFNNUUBGYHHH-LJQANCHMSA-N 1 0 422.529 3.910 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534971750 1007029525 /nfs/dbraw/zinc/02/95/25/1007029525.db2.gz PDBCCOKHQOQOEP-KXBFYZLASA-N 1 0 420.872 3.880 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1cccc(OC)c1 ZINC000534983424 1007042029 /nfs/dbraw/zinc/04/20/29/1007042029.db2.gz SANQFIDCPIDWNR-HXUWFJFHSA-N 1 0 410.474 3.898 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCSC[C@@H]2CCO)cc1 ZINC000538812109 1007091631 /nfs/dbraw/zinc/09/16/31/1007091631.db2.gz XUKRKWWTTUNXIB-NRFANRHFSA-N 1 0 424.526 3.747 20 5 HHBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000538891070 1007169098 /nfs/dbraw/zinc/16/90/98/1007169098.db2.gz GOFGQEPVNRSOCF-UHFFFAOYSA-N 1 0 416.909 3.951 20 5 HHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000516597415 1007179355 /nfs/dbraw/zinc/17/93/55/1007179355.db2.gz AAUNIAPRSBQUNP-UHFFFAOYSA-N 1 0 423.517 3.960 20 5 HHBDRO Cn1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000516686087 1007232710 /nfs/dbraw/zinc/23/27/10/1007232710.db2.gz OWIDMIBELSZEIO-XPWALMASSA-N 1 0 418.497 4.000 20 5 HHBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCOc1cccc(Cl)c1 ZINC000532897222 1007275318 /nfs/dbraw/zinc/27/53/18/1007275318.db2.gz ACBOKFWCYMUBDJ-UHFFFAOYSA-N 1 0 405.838 3.557 20 5 HHBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539001787 1007299875 /nfs/dbraw/zinc/29/98/75/1007299875.db2.gz YOXXFVYOFZXYID-UHFFFAOYSA-N 1 0 423.498 3.760 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000532969135 1007336712 /nfs/dbraw/zinc/33/67/12/1007336712.db2.gz KPDALJAWRXLHRM-UHFFFAOYSA-N 1 0 417.506 3.954 20 5 HHBDRO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000532972191 1007339764 /nfs/dbraw/zinc/33/97/64/1007339764.db2.gz SDYDHZGUJWMKFY-AWEZNQCLSA-N 1 0 417.893 3.810 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000532976953 1007347507 /nfs/dbraw/zinc/34/75/07/1007347507.db2.gz IACMDKBONOWKPN-GOEBONIOSA-N 1 0 401.438 3.949 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000539064466 1007357483 /nfs/dbraw/zinc/35/74/83/1007357483.db2.gz KNPZVYMRGPHWRI-DOTOQJQBSA-N 1 0 412.515 3.854 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(N3CC[NH+](C)CC3)n2)no1 ZINC000517057689 1007387512 /nfs/dbraw/zinc/38/75/12/1007387512.db2.gz UWVPYZJQILKHRB-QGZVFWFLSA-N 1 0 422.489 3.528 20 5 HHBDRO COc1cc(C[NH2+][C@H](C)Cc2cc(Br)ccc2F)c([N+](=O)[O-])cc1O ZINC000539104869 1007392582 /nfs/dbraw/zinc/39/25/82/1007392582.db2.gz ZITNZDLGULCENH-SNVBAGLBSA-N 1 0 413.243 3.931 20 5 HHBDRO CC1([N@H+](Cc2ccc3c(c2)OCO3)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCC1 ZINC000533047779 1007409184 /nfs/dbraw/zinc/40/91/84/1007409184.db2.gz PAMPZUSCUZIANS-UHFFFAOYSA-N 1 0 411.458 3.757 20 5 HHBDRO COc1ccc(CC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000533115135 1007461310 /nfs/dbraw/zinc/46/13/10/1007461310.db2.gz KAGCGAMALDSCLP-XLIONFOSSA-N 1 0 411.502 3.563 20 5 HHBDRO C[C@@H]1C[C@@H](CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000535409843 1007478970 /nfs/dbraw/zinc/47/89/70/1007478970.db2.gz SFGXJNNVOZXYEB-WIYYLYMNSA-N 1 0 410.518 3.737 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000517191141 1007495038 /nfs/dbraw/zinc/49/50/38/1007495038.db2.gz SSVZKIZSGVLHBD-AGHHOFFYSA-N 1 0 405.502 3.843 20 5 HHBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000517253292 1007518557 /nfs/dbraw/zinc/51/85/57/1007518557.db2.gz UOTSFRVXQKHJJG-QHCPKHFHSA-N 1 0 404.470 3.814 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000533221391 1007545314 /nfs/dbraw/zinc/54/53/14/1007545314.db2.gz HWDRJVQGQVVZDQ-UHFFFAOYSA-N 1 0 414.481 3.579 20 5 HHBDRO COc1ccc(OC2CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000533240695 1007561568 /nfs/dbraw/zinc/56/15/68/1007561568.db2.gz LDNYBLLSLMANFW-UHFFFAOYSA-N 1 0 413.474 3.784 20 5 HHBDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000533251589 1007570665 /nfs/dbraw/zinc/57/06/65/1007570665.db2.gz BPVGJTJIGFAZRW-KRWDZBQOSA-N 1 0 413.474 3.648 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000533263582 1007580206 /nfs/dbraw/zinc/58/02/06/1007580206.db2.gz DXNJEKQBVUGYDY-IBGZPJMESA-N 1 0 411.458 3.840 20 5 HHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000533297815 1007612663 /nfs/dbraw/zinc/61/26/63/1007612663.db2.gz FUNGVXXWUDFVDJ-HWOWSKLDSA-N 1 0 408.930 3.772 20 5 HHBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000533298400 1007613988 /nfs/dbraw/zinc/61/39/88/1007613988.db2.gz ZLEJNZPPVKRRQE-FQEVSTJZSA-N 1 0 420.469 3.920 20 5 HHBDRO O=C(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000539328518 1007628179 /nfs/dbraw/zinc/62/81/79/1007628179.db2.gz UIMAFOIFGCNONF-KSSFIOAISA-N 1 0 403.866 3.944 20 5 HHBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000517411765 1007636357 /nfs/dbraw/zinc/63/63/57/1007636357.db2.gz OPRJUSOAJGRQBP-UHFFFAOYSA-N 1 0 408.886 3.547 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000539376120 1007680756 /nfs/dbraw/zinc/68/07/56/1007680756.db2.gz AWLDFKGLXAMHLA-INIZCTEOSA-N 1 0 412.490 3.883 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000533372284 1007683278 /nfs/dbraw/zinc/68/32/78/1007683278.db2.gz XOCALSSYHALTPQ-UHFFFAOYSA-N 1 0 402.882 3.707 20 5 HHBDRO COc1cc(OC)c(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000539378821 1007683215 /nfs/dbraw/zinc/68/32/15/1007683215.db2.gz IVEUTUCOGOZZRD-GFCCVEGCSA-N 1 0 407.854 3.863 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000539382669 1007687887 /nfs/dbraw/zinc/68/78/87/1007687887.db2.gz QDOXGPYRDJWTEX-BBRMVZONSA-N 1 0 409.280 3.756 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000535672626 1007693014 /nfs/dbraw/zinc/69/30/14/1007693014.db2.gz WXCXRUNTYKTWOY-MGPUTAFESA-N 1 0 405.857 3.739 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000533435183 1007747736 /nfs/dbraw/zinc/74/77/36/1007747736.db2.gz LZNZBPQPBBBXNK-GOSISDBHSA-N 1 0 401.488 3.722 20 5 HHBDRO C[C@H]1CN(CC[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCO1 ZINC000517547586 1007762624 /nfs/dbraw/zinc/76/26/24/1007762624.db2.gz FCHVUGZWPFOSAC-HNNXBMFYSA-N 1 0 405.882 3.851 20 5 HHBDRO COc1ccc(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)cc1[N+](=O)[O-] ZINC000517547884 1007763871 /nfs/dbraw/zinc/76/38/71/1007763871.db2.gz ZVTXECMBDVVVNA-UHFFFAOYSA-N 1 0 405.248 3.932 20 5 HHBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)nc2)C1 ZINC000533452900 1007766912 /nfs/dbraw/zinc/76/69/12/1007766912.db2.gz WDTIUEHTCCMPSU-LJQANCHMSA-N 1 0 424.530 3.866 20 5 HHBDRO O=C1[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCN1c1ccc(OC(F)F)cc1 ZINC000539499358 1007811236 /nfs/dbraw/zinc/81/12/36/1007811236.db2.gz PGJANIVWRHKFEJ-CJISVDGZSA-N 1 0 417.412 3.995 20 5 HHBDRO O=C(CC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533506424 1007820465 /nfs/dbraw/zinc/82/04/65/1007820465.db2.gz GKDXZVTWXKUHQH-UHFFFAOYSA-N 1 0 420.473 3.588 20 5 HHBDRO CC[NH+](CC)CCN(CCC(F)(F)F)c1ncc([N+](=O)[O-])cc1Br ZINC000533631944 1007937696 /nfs/dbraw/zinc/93/76/96/1007937696.db2.gz SWLVBCZVFUVHPB-UHFFFAOYSA-N 1 0 413.238 3.853 20 5 HHBDRO COc1ccc(OCC[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000518010096 1008100975 /nfs/dbraw/zinc/10/09/75/1008100975.db2.gz AYAGDYQVBNTUCC-YLJYHZDGSA-N 1 0 405.882 3.671 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)c(C)c2)CC1 ZINC000536077792 1008104511 /nfs/dbraw/zinc/10/45/11/1008104511.db2.gz FOCSEQFERNERBI-UHFFFAOYSA-N 1 0 423.517 3.635 20 5 HHBDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000539821566 1008115471 /nfs/dbraw/zinc/11/54/71/1008115471.db2.gz PVPHFIZYONNFPU-IBGZPJMESA-N 1 0 414.458 3.710 20 5 HHBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000533804934 1008123167 /nfs/dbraw/zinc/12/31/67/1008123167.db2.gz LXETUNPAPPKHOA-KRWDZBQOSA-N 1 0 408.502 3.888 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000539923769 1008186412 /nfs/dbraw/zinc/18/64/12/1008186412.db2.gz CPZAUJWJXDRKCZ-UYAOXDASSA-N 1 0 408.502 3.853 20 5 HHBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000539932073 1008190763 /nfs/dbraw/zinc/19/07/63/1008190763.db2.gz QXTCUVZCUCUXCD-GOSISDBHSA-N 1 0 403.866 3.824 20 5 HHBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000533956283 1008231994 /nfs/dbraw/zinc/23/19/94/1008231994.db2.gz JVGRLOITJPHVKW-GOSISDBHSA-N 1 0 406.486 3.599 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000540017395 1008239884 /nfs/dbraw/zinc/23/98/84/1008239884.db2.gz YUOZHUBZSSVMRW-UHFFFAOYSA-N 1 0 419.522 3.586 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000540159592 1008315896 /nfs/dbraw/zinc/31/58/96/1008315896.db2.gz LDVNSMAOIUXBIU-GDBMZVCRSA-N 1 0 423.307 3.708 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000540171829 1008321580 /nfs/dbraw/zinc/32/15/80/1008321580.db2.gz BWXHWSJJUIPLQB-KRWDZBQOSA-N 1 0 417.531 3.548 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1[N+](=O)[O-] ZINC000540219329 1008340799 /nfs/dbraw/zinc/34/07/99/1008340799.db2.gz CPPACFZCWDBXHO-JKSUJKDBSA-N 1 0 403.504 3.855 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000540332647 1008384461 /nfs/dbraw/zinc/38/44/61/1008384461.db2.gz BICVUVUWKRRULJ-UHFFFAOYSA-N 1 0 421.544 3.561 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1OCC ZINC000540368255 1008402718 /nfs/dbraw/zinc/40/27/18/1008402718.db2.gz OJAVTSYKGVWYTA-OAHLLOKOSA-N 1 0 413.474 3.632 20 5 HHBDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1)C[C@H]1CCCCO1 ZINC000540420164 1008425395 /nfs/dbraw/zinc/42/53/95/1008425395.db2.gz QLSKLMOMJAVGOR-HXUWFJFHSA-N 1 0 414.506 3.965 20 5 HHBDRO CSc1ccc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000540421927 1008426150 /nfs/dbraw/zinc/42/61/50/1008426150.db2.gz UUOWXQHHPZYLNF-UHFFFAOYSA-N 1 0 401.488 3.526 20 5 HHBDRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3csc([N+](=O)[O-])c3)cc2)C[C@@H]1C ZINC000540440368 1008435513 /nfs/dbraw/zinc/43/55/13/1008435513.db2.gz XOCLHNLKTZQKQQ-HOTGVXAUSA-N 1 0 417.531 3.595 20 5 HHBDRO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000540477841 1008447394 /nfs/dbraw/zinc/44/73/94/1008447394.db2.gz VCQGRVJFHARZLX-LBPRGKRZSA-N 1 0 417.487 3.529 20 5 HHBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCOCC1 ZINC000540523624 1008466319 /nfs/dbraw/zinc/46/63/19/1008466319.db2.gz VBNAXAWHEBRJMV-CXAGYDPISA-N 1 0 418.519 3.840 20 5 HHBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCOCC1 ZINC000540523630 1008466322 /nfs/dbraw/zinc/46/63/22/1008466322.db2.gz VBNAXAWHEBRJMV-SUMWQHHRSA-N 1 0 418.519 3.840 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540561242 1008482429 /nfs/dbraw/zinc/48/24/29/1008482429.db2.gz CAMGDKLYCDWTRW-UHFFFAOYSA-N 1 0 422.460 4.000 20 5 HHBDRO COc1ccc([C@H](CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000542961893 1008534492 /nfs/dbraw/zinc/53/44/92/1008534492.db2.gz MPJBMGYWPNIGTJ-IBGZPJMESA-N 1 0 414.462 3.571 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000543172590 1008748089 /nfs/dbraw/zinc/74/80/89/1008748089.db2.gz IYXGKYPQOGBBOZ-IFXJQAMLSA-N 1 0 418.519 3.547 20 5 HHBDRO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000519563413 1008908382 /nfs/dbraw/zinc/90/83/82/1008908382.db2.gz SXEQIPRSGUYYJU-SUMWQHHRSA-N 1 0 405.401 3.589 20 5 HHBDRO CC(C)([C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000543409324 1009003444 /nfs/dbraw/zinc/00/34/44/1009003444.db2.gz ZYQDIUIXNNCQAP-IBGZPJMESA-N 1 0 418.444 3.801 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c(Cl)c1 ZINC000543415021 1009007365 /nfs/dbraw/zinc/00/73/65/1009007365.db2.gz WEBGCEILTJVBJP-OAHLLOKOSA-N 1 0 401.829 3.750 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000519842052 1009025684 /nfs/dbraw/zinc/02/56/84/1009025684.db2.gz ONBPFMLVZUDVEG-QGZVFWFLSA-N 1 0 424.270 3.838 20 5 HHBDRO COC(=O)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000543460561 1009046859 /nfs/dbraw/zinc/04/68/59/1009046859.db2.gz OLELTNOQALACGS-YVEFUNNKSA-N 1 0 411.886 3.677 20 5 HHBDRO COC(=O)C[C@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000543461314 1009047784 /nfs/dbraw/zinc/04/77/84/1009047784.db2.gz YPRDQWGIRRKANA-DYVFJYSZSA-N 1 0 402.451 3.807 20 5 HHBDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3cc(OC)c(F)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000549471426 1009066903 /nfs/dbraw/zinc/06/69/03/1009066903.db2.gz JDOJNEYHTHOEPB-DENIHFKCSA-N 1 0 415.465 3.819 20 5 HHBDRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)c(C)c2c1 ZINC000543509576 1009098327 /nfs/dbraw/zinc/09/83/27/1009098327.db2.gz MMHDNBKNDYTELD-CQSZACIVSA-N 1 0 409.442 3.898 20 5 HHBDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(C(C)(C)C)cs1 ZINC000543513778 1009103495 /nfs/dbraw/zinc/10/34/95/1009103495.db2.gz GTZCVKZJIXFRGY-LBPRGKRZSA-N 1 0 404.492 3.998 20 5 HHBDRO C[C@H](CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000520063026 1009225024 /nfs/dbraw/zinc/22/50/24/1009225024.db2.gz WAQDXNVBBACQCH-GOSISDBHSA-N 1 0 402.539 3.681 20 5 HHBDRO CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546225688 1009253039 /nfs/dbraw/zinc/25/30/39/1009253039.db2.gz UZYIIWUSONCNJV-FQEVSTJZSA-N 1 0 407.474 3.741 20 5 HHBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546225907 1009253094 /nfs/dbraw/zinc/25/30/94/1009253094.db2.gz RRZGREYMHUKMER-HXUWFJFHSA-N 1 0 410.518 3.828 20 5 HHBDRO CC(C)[NH+]1CCN(c2ccc(-c3nc(Cc4ccccc4[N+](=O)[O-])no3)cc2)CC1 ZINC000546237941 1009262481 /nfs/dbraw/zinc/26/24/81/1009262481.db2.gz YVAOVDJHYWDXPD-UHFFFAOYSA-N 1 0 407.474 3.766 20 5 HHBDRO COc1cc(CNC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000520202624 1009339378 /nfs/dbraw/zinc/33/93/78/1009339378.db2.gz ZJTJLQHLPBEDKI-UHFFFAOYSA-N 1 0 417.428 3.509 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000520267974 1009385385 /nfs/dbraw/zinc/38/53/85/1009385385.db2.gz NKLXVCFEODOUOD-LJQANCHMSA-N 1 0 408.458 3.863 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2cn(CCOC)nc21 ZINC000546934929 1009894913 /nfs/dbraw/zinc/89/49/13/1009894913.db2.gz FELUNFOFLUQEDI-SJORKVTESA-N 1 0 404.536 3.976 20 5 HHBDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 ZINC000544365666 1009993502 /nfs/dbraw/zinc/99/35/02/1009993502.db2.gz OFXDZLOOMWCQQP-OAHLLOKOSA-N 1 0 423.872 3.990 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000544369149 1009998248 /nfs/dbraw/zinc/99/82/48/1009998248.db2.gz HAKZMWYRISZZGF-LBPRGKRZSA-N 1 0 422.279 3.873 20 5 HHBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cnn1-c1ccc(F)cc1 ZINC000544433081 1010057071 /nfs/dbraw/zinc/05/70/71/1010057071.db2.gz MPLVYCZFXZZCQS-SPLOXXLWSA-N 1 0 423.448 3.684 20 5 HHBDRO Cc1nn(CCC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)c(C)c1[N+](=O)[O-] ZINC000521036387 1010066052 /nfs/dbraw/zinc/06/60/52/1010066052.db2.gz CJAGTYSLDLTQKL-MRXNPFEDSA-N 1 0 413.522 3.578 20 5 HHBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000521067384 1010085157 /nfs/dbraw/zinc/08/51/57/1010085157.db2.gz JADOHIOGKGZDBJ-UHFFFAOYSA-N 1 0 407.474 3.551 20 5 HHBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000544538931 1010167839 /nfs/dbraw/zinc/16/78/39/1010167839.db2.gz ZVJMYTOTLZWDME-YCRPNKLZSA-N 1 0 415.465 3.799 20 5 HHBDRO CC(C)c1ccc(C[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000550886348 1010241747 /nfs/dbraw/zinc/24/17/47/1010241747.db2.gz MITMPDXQJBJZQH-HXUWFJFHSA-N 1 0 402.564 3.858 20 5 HHBDRO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000551004364 1010311289 /nfs/dbraw/zinc/31/12/89/1010311289.db2.gz RJUZTIZSIBUPPO-LLVKDONJSA-N 1 0 402.394 3.868 20 5 HHBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000521348951 1010324192 /nfs/dbraw/zinc/32/41/92/1010324192.db2.gz YXYSVDVIOGVZQU-UHFFFAOYSA-N 1 0 412.490 3.824 20 5 HHBDRO CCOC(=O)c1cc(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)cc([N+](=O)[O-])c1 ZINC000521358192 1010330422 /nfs/dbraw/zinc/33/04/22/1010330422.db2.gz UPOYMCRUFUWFDB-UHFFFAOYSA-N 1 0 413.474 3.542 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000521501076 1010415819 /nfs/dbraw/zinc/41/58/19/1010415819.db2.gz XGNXUAYIKHDBHF-XJKSGUPXSA-N 1 0 409.870 3.808 20 5 HHBDRO CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544850794 1010436524 /nfs/dbraw/zinc/43/65/24/1010436524.db2.gz FEQSUJDEUFZMLC-NRFANRHFSA-N 1 0 422.529 3.932 20 5 HHBDRO CS(=O)(=O)c1cc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000551232658 1010454770 /nfs/dbraw/zinc/45/47/70/1010454770.db2.gz ZLTHMGMUFLYANS-XQRVVYSFSA-N 1 0 414.405 3.820 20 5 HHBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544895502 1010471931 /nfs/dbraw/zinc/47/19/31/1010471931.db2.gz XXEZYDQWZVDQHZ-NRFANRHFSA-N 1 0 410.518 3.828 20 5 HHBDRO CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544895823 1010472177 /nfs/dbraw/zinc/47/21/77/1010472177.db2.gz RLODFVDLPBNKLJ-GOSISDBHSA-N 1 0 416.909 3.783 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000521639906 1010517291 /nfs/dbraw/zinc/51/72/91/1010517291.db2.gz DWJXNIKNLYQALS-SJLPKXTDSA-N 1 0 400.523 3.578 20 5 HHBDRO C[C@H](c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000544965016 1010524134 /nfs/dbraw/zinc/52/41/34/1010524134.db2.gz PLZNNCZQTXDOFD-AWEZNQCLSA-N 1 0 411.437 3.688 20 5 HHBDRO COc1ccc(C[NH2+]C(C)(C)c2cnn(C)c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000545290684 1010717703 /nfs/dbraw/zinc/71/77/03/1010717703.db2.gz JKZLYNFMYZKICA-UHFFFAOYSA-N 1 0 410.474 3.941 20 5 HHBDRO COc1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000548890015 1010752807 /nfs/dbraw/zinc/75/28/07/1010752807.db2.gz HSSDWIRMNJFMEF-NRFANRHFSA-N 1 0 411.502 3.563 20 5 HHBDRO C[C@@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000551719524 1010760509 /nfs/dbraw/zinc/76/05/09/1010760509.db2.gz ZJJYONBMBXDACE-DIFFPNOSSA-N 1 0 419.279 3.820 20 5 HHBDRO CCC(CC)(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[NH2+][C@@H](C)c1ccccc1 ZINC000522206133 1010865660 /nfs/dbraw/zinc/86/56/60/1010865660.db2.gz VICYGTOUGMULNA-HNNXBMFYSA-N 1 0 413.474 3.963 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000540598162 1011254279 /nfs/dbraw/zinc/25/42/79/1011254279.db2.gz OYXHLXCZJPOCHN-KRWDZBQOSA-N 1 0 403.504 3.687 20 5 HHBDRO Cc1ccn(-c2ccccc2C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540619756 1011272025 /nfs/dbraw/zinc/27/20/25/1011272025.db2.gz NGMLHEFVLQDVMW-UHFFFAOYSA-N 1 0 402.458 3.779 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000540625716 1011276044 /nfs/dbraw/zinc/27/60/44/1011276044.db2.gz KDILFUQWUODXII-HRAATJIYSA-N 1 0 417.531 3.933 20 5 HHBDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC000522876117 1011318596 /nfs/dbraw/zinc/31/85/96/1011318596.db2.gz VGUUVZFQZWVQIV-UHFFFAOYSA-N 1 0 418.881 3.572 20 5 HHBDRO CCOc1ccc([C@@H](C)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)cc1[N+](=O)[O-] ZINC000540749360 1011401948 /nfs/dbraw/zinc/40/19/48/1011401948.db2.gz BVLITTSGGWZMCG-BEFAXECRSA-N 1 0 412.490 3.616 20 5 HHBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000523285469 1011765774 /nfs/dbraw/zinc/76/57/74/1011765774.db2.gz OYDYENWUDZFGLQ-QWFCFKBJSA-N 1 0 414.550 3.778 20 5 HHBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+](C)C2CCC(NC(C)=O)CC2)cc1OC ZINC000541316155 1012023579 /nfs/dbraw/zinc/02/35/79/1012023579.db2.gz WAARZNLICKHCFL-VNCLNFNDSA-N 1 0 421.538 3.907 20 5 HHBDRO Cc1ccc(NS(=O)(=O)c2ccc(NCC[NH2+]C(C)(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000523514153 1012038261 /nfs/dbraw/zinc/03/82/61/1012038261.db2.gz SUVRPLWGQUEIEZ-UHFFFAOYSA-N 1 0 420.535 3.812 20 5 HHBDRO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000541329521 1012039329 /nfs/dbraw/zinc/03/93/29/1012039329.db2.gz BIVRUTPBRFBYSU-LADGPHEKSA-N 1 0 419.481 3.996 20 5 HHBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000523528398 1012056405 /nfs/dbraw/zinc/05/64/05/1012056405.db2.gz ZHGJSIFPTWVEAM-CYBMUJFWSA-N 1 0 418.291 3.534 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000552061782 1012080535 /nfs/dbraw/zinc/08/05/35/1012080535.db2.gz ZZNJRTLMUBTSCS-VGSWGCGISA-N 1 0 420.517 3.628 20 5 HHBDRO C[NH+](C)CCOc1cccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000541431542 1012183849 /nfs/dbraw/zinc/18/38/49/1012183849.db2.gz PRXHOFTUMXLUJB-UHFFFAOYSA-N 1 0 423.922 3.597 20 5 HHBDRO Cn1ccnc1[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552248533 1012260252 /nfs/dbraw/zinc/26/02/52/1012260252.db2.gz KMQBSTNTEVKCTO-NFBKMPQASA-N 1 0 419.529 3.572 20 5 HHBDRO Cn1ccnc1[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552275883 1012288910 /nfs/dbraw/zinc/28/89/10/1012288910.db2.gz CUQCNTPEFLKUJM-KVWWFHCMSA-N 1 0 414.506 3.908 20 5 HHBDRO COc1ccc(C[C@@H](C)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000552275213 1012289295 /nfs/dbraw/zinc/28/92/95/1012289295.db2.gz OGIFEYUOXYQUKP-ZHRRBRCNSA-N 1 0 424.501 3.903 20 5 HHBDRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000552275212 1012290088 /nfs/dbraw/zinc/29/00/88/1012290088.db2.gz OGIFEYUOXYQUKP-OPAMFIHVSA-N 1 0 424.501 3.903 20 5 HHBDRO O=C1CCCN1C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000537016978 1012318845 /nfs/dbraw/zinc/31/88/45/1012318845.db2.gz CEZAILXMMMUKQF-HXUWFJFHSA-N 1 0 420.469 3.746 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)C1 ZINC000523721282 1012332585 /nfs/dbraw/zinc/33/25/85/1012332585.db2.gz UWFDQPPEZCWUKP-YOEHRIQHSA-N 1 0 405.520 3.676 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000541553821 1012342323 /nfs/dbraw/zinc/34/23/23/1012342323.db2.gz NCEWIMGFZCKQHO-DLBZAZTESA-N 1 0 423.469 3.691 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000541568100 1012357601 /nfs/dbraw/zinc/35/76/01/1012357601.db2.gz CFQJOXINZBITQQ-SJLPKXTDSA-N 1 0 414.531 3.641 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c2c(c1)COCO2 ZINC000537042679 1012362953 /nfs/dbraw/zinc/36/29/53/1012362953.db2.gz BGECZZCXPHJOOK-UHFFFAOYSA-N 1 0 412.442 3.792 20 5 HHBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000541603466 1012400190 /nfs/dbraw/zinc/40/01/90/1012400190.db2.gz OGPOREXNFYWAGC-NSHDSACASA-N 1 0 413.400 3.650 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1ccnn1Cc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000537074668 1012416954 /nfs/dbraw/zinc/41/69/54/1012416954.db2.gz PHUNIZUMHQHKEK-AWEZNQCLSA-N 1 0 413.865 3.782 20 5 HHBDRO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000537074812 1012417681 /nfs/dbraw/zinc/41/76/81/1012417681.db2.gz WORQILURGVQXJU-CABCVRRESA-N 1 0 401.463 3.530 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000552407378 1012421600 /nfs/dbraw/zinc/42/16/00/1012421600.db2.gz OUEFAKRLQUCDJQ-CQSZACIVSA-N 1 0 409.870 3.589 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000541620272 1012429395 /nfs/dbraw/zinc/42/93/95/1012429395.db2.gz LWEJVWROHPQRCX-LJQANCHMSA-N 1 0 403.454 3.928 20 5 HHBDRO COc1cc(F)c([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000537087801 1012442474 /nfs/dbraw/zinc/44/24/74/1012442474.db2.gz HRNRYIYRTGCNSC-ZDUSSCGKSA-N 1 0 405.426 3.739 20 5 HHBDRO C[C@@H](NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1[N+](=O)[O-] ZINC000537097261 1012459703 /nfs/dbraw/zinc/45/97/03/1012459703.db2.gz HMDYTJUPEOTXQU-KZNAEPCWSA-N 1 0 418.538 3.577 20 5 HHBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1-c1ccc(Cl)cc1 ZINC000537114628 1012489269 /nfs/dbraw/zinc/48/92/69/1012489269.db2.gz AVFPOJIMQUBICT-KSSFIOAISA-N 1 0 400.866 3.823 20 5 HHBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000552474256 1012501281 /nfs/dbraw/zinc/50/12/81/1012501281.db2.gz LNVMRRIAVYJIES-MRXNPFEDSA-N 1 0 423.922 3.768 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000537125895 1012509368 /nfs/dbraw/zinc/50/93/68/1012509368.db2.gz LUQDREADCFGBJJ-UZLBHIALSA-N 1 0 413.474 3.690 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000537176600 1012584900 /nfs/dbraw/zinc/58/49/00/1012584900.db2.gz PGMMPCOYBYKKDR-ZDUSSCGKSA-N 1 0 411.380 3.769 20 5 HHBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000541737819 1012593188 /nfs/dbraw/zinc/59/31/88/1012593188.db2.gz CLLYTGQRDLQKQS-GFCCVEGCSA-N 1 0 402.394 3.738 20 5 HHBDRO CS(=O)(=O)C1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000537311180 1012768920 /nfs/dbraw/zinc/76/89/20/1012768920.db2.gz RDEZMIFFPSOJEZ-UHFFFAOYSA-N 1 0 412.895 3.954 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(CO)CCOCC2)ccc1Oc1ccccc1Cl ZINC000537325688 1012783085 /nfs/dbraw/zinc/78/30/85/1012783085.db2.gz MZEQKHHBGZLJJE-UHFFFAOYSA-N 1 0 406.866 3.919 20 5 HHBDRO C[C@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1nccs1 ZINC000569860633 1072056846 /nfs/dbraw/zinc/05/68/46/1072056846.db2.gz HPNMPRXJGPTQCT-SECBINFHSA-N 1 0 403.245 3.549 20 5 HHBDRO C[C@@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000913239416 1072351383 /nfs/dbraw/zinc/35/13/83/1072351383.db2.gz LNZPRBYOGVQRLI-MRXNPFEDSA-N 1 0 411.458 3.765 20 5 HHBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000571599475 1072675396 /nfs/dbraw/zinc/67/53/96/1072675396.db2.gz JKYLRKLOYKAROE-UHFFFAOYSA-N 1 0 417.428 3.874 20 5 HHBDRO Nc1ccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)n2)cc1[N+](=O)[O-] ZINC000567276002 1072875674 /nfs/dbraw/zinc/87/56/74/1072875674.db2.gz PHPRHDHWKAVDJO-HNNXBMFYSA-N 1 0 415.400 3.852 20 5 HHBDRO CC(C)(C)c1ccc(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cc1[N+](=O)[O-] ZINC001126884066 1072885534 /nfs/dbraw/zinc/88/55/34/1072885534.db2.gz CDLJHJHUXCODJV-UHFFFAOYSA-N 1 0 417.550 3.905 20 5 HHBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000588807486 1073266012 /nfs/dbraw/zinc/26/60/12/1073266012.db2.gz MRESEJIIUNIKGU-UHFFFAOYSA-N 1 0 411.428 3.851 20 5 HHBDRO C[N@@H+]1C[C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[C@H]2C1 ZINC000590052386 1073509509 /nfs/dbraw/zinc/50/95/09/1073509509.db2.gz BASXFTPZGANSDO-PXAZEXFGSA-N 1 0 406.280 3.753 20 5 HHBDRO C[N@@H+]1C[C@@H]2CCN(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590052752 1073528273 /nfs/dbraw/zinc/52/82/73/1073528273.db2.gz KKIVBDRFAPJDHQ-PGRDOPGGSA-N 1 0 403.486 3.583 20 5 HHBDRO CC(C)N1CC[NH+](C2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)CC1 ZINC000590168717 1073611464 /nfs/dbraw/zinc/61/14/64/1073611464.db2.gz IZJIGPVQVWKEPH-UHFFFAOYSA-N 1 0 414.472 3.604 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(Br)c1 ZINC000590193389 1073639897 /nfs/dbraw/zinc/63/98/97/1073639897.db2.gz QIILEISVUSKMAS-LLVKDONJSA-N 1 0 410.243 3.810 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000555605690 1073670497 /nfs/dbraw/zinc/67/04/97/1073670497.db2.gz JUILNRCIFJHEJS-KDOFPFPSSA-N 1 0 401.438 3.584 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@H]([NH+](C)C)[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000590404006 1073788094 /nfs/dbraw/zinc/78/80/94/1073788094.db2.gz RJXDSNMZYQQGEM-OCCSQVGLSA-N 1 0 406.533 3.676 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000555847646 1073898345 /nfs/dbraw/zinc/89/83/45/1073898345.db2.gz WEDLQHIRPZKTAX-QGZVFWFLSA-N 1 0 424.270 3.838 20 5 HHBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000573057610 1074074183 /nfs/dbraw/zinc/07/41/83/1074074183.db2.gz IMRFEYRKVSPPON-NRFANRHFSA-N 1 0 401.463 3.704 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000760839331 1074362020 /nfs/dbraw/zinc/36/20/20/1074362020.db2.gz RHARQFNJDIYHIE-HNNXBMFYSA-N 1 0 418.291 3.704 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000760839336 1074362447 /nfs/dbraw/zinc/36/24/47/1074362447.db2.gz RHARQFNJDIYHIE-OAHLLOKOSA-N 1 0 418.291 3.704 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2c3ccccc3CC23CCOCC3)cccc1[N+](=O)[O-] ZINC000573491116 1074526531 /nfs/dbraw/zinc/52/65/31/1074526531.db2.gz WSQJBURYYFMTQW-KKSFZXQISA-N 1 0 409.486 3.914 20 5 HHBDRO COc1ccc(C[C@@](C)(O)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000574612393 1075302067 /nfs/dbraw/zinc/30/20/67/1075302067.db2.gz XHSYEQRPFJOZKJ-DENIHFKCSA-N 1 0 400.475 3.573 20 5 HHBDRO CN(C(=O)c1cc2ccccc2c2cccnc12)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601474722 1075619308 /nfs/dbraw/zinc/61/93/08/1075619308.db2.gz QDADUBNWSCXSHG-FQEVSTJZSA-N 1 0 402.542 3.629 20 5 HHBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1 ZINC001164415033 718880253 /nfs/dbraw/zinc/88/02/53/718880253.db2.gz ZEPARFYPVZRCRH-NSHDSACASA-N 1 0 414.762 3.841 20 5 HHBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)nc(C)c2[N+](=O)[O-])CC3)cs1 ZINC001164694358 719803477 /nfs/dbraw/zinc/80/34/77/719803477.db2.gz XRBYWZFGSAPKEU-UHFFFAOYSA-N 1 0 422.942 3.747 20 5 HHBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)C2 ZINC001164815202 720198210 /nfs/dbraw/zinc/19/82/10/720198210.db2.gz WXMGXOSMEYRNMB-GBXCKJPGSA-N 1 0 422.529 3.842 20 5 HHBDRO Cc1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)cc1[N+](=O)[O-] ZINC001164735934 720417040 /nfs/dbraw/zinc/41/70/40/720417040.db2.gz ZPGMQCQVMMYJGF-SFTDATJTSA-N 1 0 416.485 3.608 20 5 HHBDRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843630 720645831 /nfs/dbraw/zinc/64/58/31/720645831.db2.gz WOXKQFDKKMLCOL-RCZSKKKRSA-N 1 0 420.517 3.717 20 5 HHBDRO COc1ncnc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c1[N+](=O)[O-] ZINC001164758715 721044267 /nfs/dbraw/zinc/04/42/67/721044267.db2.gz AWUVCAMVTMOJSF-UHFFFAOYSA-N 1 0 411.506 3.584 20 5 HHBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc([N+](=O)[O-])cc(Cl)n1)CC2 ZINC001164793377 721490032 /nfs/dbraw/zinc/49/00/32/721490032.db2.gz RAHJYPYSGRKSBW-UHFFFAOYSA-N 1 0 401.898 3.919 20 5 HHBDRO COc1cc(C)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1[N+](=O)[O-] ZINC001164792215 721494698 /nfs/dbraw/zinc/49/46/98/721494698.db2.gz KMVFXEQUYSIQDL-UHFFFAOYSA-N 1 0 411.506 3.583 20 5 HHBDRO O=[N+]([O-])c1cccc2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc21 ZINC001164905843 721530366 /nfs/dbraw/zinc/53/03/66/721530366.db2.gz JADBORQLDCDLML-MJGOQNOKSA-N 1 0 408.433 3.624 20 5 HHBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908817 721544377 /nfs/dbraw/zinc/54/43/77/721544377.db2.gz QRFHYXMMNYWDEF-PKOBYXMFSA-N 1 0 408.433 3.624 20 5 HHBDRO CCOc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165024175 721819363 /nfs/dbraw/zinc/81/93/63/721819363.db2.gz JLUQILTXZCPFBY-QXAKKESOSA-N 1 0 411.506 3.520 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1Cl ZINC001164953066 722015970 /nfs/dbraw/zinc/01/59/70/722015970.db2.gz RHUXBWVSXXNRQU-UHFFFAOYSA-N 1 0 401.898 3.839 20 5 HHBDRO CCOc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC001164994899 722205318 /nfs/dbraw/zinc/20/53/18/722205318.db2.gz JMUVVDXNBKULFX-NRFANRHFSA-N 1 0 400.454 3.773 20 5 HHBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)[NH+]2CCCC2)o1 ZINC000301405966 970912475 /nfs/dbraw/zinc/91/24/75/970912475.db2.gz LSCNUIVUBNSJNS-SFHVURJKSA-N 1 0 400.435 3.702 20 5 HHBDRO CC(C)NC(=O)c1ccc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000301457921 970938980 /nfs/dbraw/zinc/93/89/80/970938980.db2.gz SSMKTCMTSPLHJI-GOSISDBHSA-N 1 0 410.518 3.834 20 5 HHBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(Br)c1 ZINC000301576664 970987550 /nfs/dbraw/zinc/98/75/50/970987550.db2.gz YXNPDSUQDJGIRM-HNNXBMFYSA-N 1 0 405.296 3.729 20 5 HHBDRO CC1CC[NH+](Cc2ccc(CNc3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)cc2)CC1 ZINC000301614715 971003522 /nfs/dbraw/zinc/00/35/22/971003522.db2.gz IJXTVRVBZAEPSR-UHFFFAOYSA-N 1 0 410.474 3.770 20 5 HHBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000301622355 971006307 /nfs/dbraw/zinc/00/63/07/971006307.db2.gz NUIYAMLEBDLPQW-YLJYHZDGSA-N 1 0 408.502 3.906 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000301913804 971113632 /nfs/dbraw/zinc/11/36/32/971113632.db2.gz UNMQKSDJYDFASJ-QGZVFWFLSA-N 1 0 408.502 3.588 20 5 HHBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1c(Br)cncc1[N+](=O)[O-] ZINC000301989219 971144972 /nfs/dbraw/zinc/14/49/72/971144972.db2.gz WRMRZLHWILWDBF-UHFFFAOYSA-N 1 0 420.311 3.890 20 5 HHBDRO CNC(=O)c1ccc(N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000302025028 971154326 /nfs/dbraw/zinc/15/43/26/971154326.db2.gz KDGBVDKIHJLTNI-ICSRJNTNSA-N 1 0 418.444 3.869 20 5 HHBDRO C[N@@H+]1CCCC12CCN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000537546538 1013065421 /nfs/dbraw/zinc/06/54/21/1013065421.db2.gz QIQKJHWBKZLBBQ-UHFFFAOYSA-N 1 0 414.428 3.502 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN(c4nc5ccccc5o4)CC3)o2)c1 ZINC000303318990 971626468 /nfs/dbraw/zinc/62/64/68/971626468.db2.gz USCHHNHBLBGHKC-UHFFFAOYSA-N 1 0 419.441 3.756 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000303359031 971656884 /nfs/dbraw/zinc/65/68/84/971656884.db2.gz ITWPILVONJLFOY-UHFFFAOYSA-N 1 0 423.473 3.688 20 5 HHBDRO CCCN(CC[NH+]1CCCCC1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000553154429 1013113946 /nfs/dbraw/zinc/11/39/46/1013113946.db2.gz KGQHVRPFNDWZNX-UHFFFAOYSA-N 1 0 402.539 3.536 20 5 HHBDRO O=C(CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000303730419 971983843 /nfs/dbraw/zinc/98/38/43/971983843.db2.gz VATCSTMJZJFJSY-INIZCTEOSA-N 1 0 408.930 3.775 20 5 HHBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303789844 972029132 /nfs/dbraw/zinc/02/91/32/972029132.db2.gz JSWVROOIXYNSGV-APWZRJJASA-N 1 0 417.531 3.577 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3OCc3ccccn3)C2)nc1 ZINC000537635912 1013191517 /nfs/dbraw/zinc/19/15/17/1013191517.db2.gz FWAJQPGUTWWWDF-SFHVURJKSA-N 1 0 405.458 3.650 20 5 HHBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000005089714 960650717 /nfs/dbraw/zinc/65/07/17/960650717.db2.gz HGKQDYWLXDLLHF-UHFFFAOYSA-N 1 0 418.881 3.651 20 5 HHBDRO COc1ccc(-c2ccc(CN3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000537698783 1013264208 /nfs/dbraw/zinc/26/42/08/1013264208.db2.gz XTPFKLAMUKFXON-YIFZBPKDSA-N 1 0 415.490 3.547 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)NCc3ccccc3C[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000009917265 961712511 /nfs/dbraw/zinc/71/25/11/961712511.db2.gz QHYSQTNHXZZVTJ-KRWDZBQOSA-N 1 0 410.518 3.823 20 5 HHBDRO COc1cc(F)c([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000553333425 1013280284 /nfs/dbraw/zinc/28/02/84/1013280284.db2.gz UVABSUKHBMZXOW-ZDUSSCGKSA-N 1 0 405.426 3.739 20 5 HHBDRO CC1CC[NH+](CCCNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000010090289 961741388 /nfs/dbraw/zinc/74/13/88/961741388.db2.gz VTLOUFZFDFWSAW-UHFFFAOYSA-N 1 0 416.444 3.654 20 5 HHBDRO COc1ccc([C@H](CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)[NH+]2CCCCC2)cc1 ZINC000010447132 961824377 /nfs/dbraw/zinc/82/43/77/961824377.db2.gz XXNFEZCFKJEGOY-FQEVSTJZSA-N 1 0 413.474 3.569 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2[N+](=O)[O-])C1 ZINC000010558276 961852465 /nfs/dbraw/zinc/85/24/65/961852465.db2.gz XSPFDWZAGMKEDG-OAHLLOKOSA-N 1 0 402.539 3.870 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2[N+](=O)[O-])C1 ZINC000010558278 961852718 /nfs/dbraw/zinc/85/27/18/961852718.db2.gz XSPFDWZAGMKEDG-HNNXBMFYSA-N 1 0 402.539 3.870 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)NCc3ccc(C[NH+](C)C)cc3)cc2[N+](=O)[O-])C1 ZINC000015140381 962672549 /nfs/dbraw/zinc/67/25/49/962672549.db2.gz RMEMLZFMNORYQM-KRWDZBQOSA-N 1 0 410.518 3.823 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NCc3ccc(C[NH+](C)C)cc3)cc2[N+](=O)[O-])CC1 ZINC000015140379 962673119 /nfs/dbraw/zinc/67/31/19/962673119.db2.gz IFOLCWPKJSJNTG-UHFFFAOYSA-N 1 0 410.518 3.823 20 5 HHBDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000016002783 962913319 /nfs/dbraw/zinc/91/33/19/962913319.db2.gz DPVUQHLXVMBXSE-UHFFFAOYSA-N 1 0 420.922 3.731 20 5 HHBDRO C[C@@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016402216 963034456 /nfs/dbraw/zinc/03/44/56/963034456.db2.gz HCCWAYIXQQMHKX-MRXNPFEDSA-N 1 0 411.458 3.765 20 5 HHBDRO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)c2c(c1)COCO2 ZINC000017291007 963178411 /nfs/dbraw/zinc/17/84/11/963178411.db2.gz HYZKBULUWFKGEM-UHFFFAOYSA-N 1 0 419.481 3.932 20 5 HHBDRO COc1ccc([C@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000017911961 963241163 /nfs/dbraw/zinc/24/11/63/963241163.db2.gz PFNJRYSSGHDJEA-FQEVSTJZSA-N 1 0 415.515 3.892 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553506292 1013406405 /nfs/dbraw/zinc/40/64/05/1013406405.db2.gz FBHYJZUMYUHECW-DEOSSOPVSA-N 1 0 422.529 3.912 20 5 HHBDRO CC[N@H+](CCC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1)CC1CC1 ZINC000537845906 1013410474 /nfs/dbraw/zinc/41/04/74/1013410474.db2.gz HPZZFUNNOTVTMB-UHFFFAOYSA-N 1 0 402.539 3.676 20 5 HHBDRO CC[N@H+](CCC1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000537847612 1013412857 /nfs/dbraw/zinc/41/28/57/1013412857.db2.gz UKNDXZPZDDBPGC-QGZVFWFLSA-N 1 0 402.539 3.756 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000023229078 963786678 /nfs/dbraw/zinc/78/66/78/963786678.db2.gz QQFSRKDRMLTEBV-MRXNPFEDSA-N 1 0 414.531 3.856 20 5 HHBDRO Cc1c(Br)c(NC2CC[NH+](Cc3cccnc3)CC2)ncc1[N+](=O)[O-] ZINC000553567446 1013463288 /nfs/dbraw/zinc/46/32/88/1013463288.db2.gz CZWDZHPBBJLTJO-UHFFFAOYSA-N 1 0 406.284 3.532 20 5 HHBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000542529014 1013470899 /nfs/dbraw/zinc/47/08/99/1013470899.db2.gz JZGRPEODUWYLKV-ZYHUDNBSSA-N 1 0 413.400 3.648 20 5 HHBDRO COc1cc(CN2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000025355973 964250285 /nfs/dbraw/zinc/25/02/85/964250285.db2.gz JCMKCSGWIVWJCT-UHFFFAOYSA-N 1 0 421.444 3.565 20 5 HHBDRO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132795 964471286 /nfs/dbraw/zinc/47/12/86/964471286.db2.gz ZVINKYFNRIDHCI-WMZHIEFXSA-N 1 0 409.486 3.584 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@H](c2ccccc2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000026230659 964495702 /nfs/dbraw/zinc/49/57/02/964495702.db2.gz KKUQNYXPWPNNEJ-JOCHJYFZSA-N 1 0 406.442 3.706 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000026263928 964509750 /nfs/dbraw/zinc/50/97/50/964509750.db2.gz SSPOYYNZTSIVDE-UHFFFAOYSA-N 1 0 410.474 3.583 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000537942090 1013525424 /nfs/dbraw/zinc/52/54/24/1013525424.db2.gz OPYJOCZEHCGWOU-LZHZSBQWSA-N 1 0 403.429 3.756 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000052866221 965006105 /nfs/dbraw/zinc/00/61/05/965006105.db2.gz LKHVWTMCZQQZSW-LJQANCHMSA-N 1 0 413.474 3.613 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccsc1 ZINC000052877490 965011445 /nfs/dbraw/zinc/01/14/45/965011445.db2.gz BBLUWBDEHOJKES-IBGZPJMESA-N 1 0 413.503 3.655 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537966722 1013543839 /nfs/dbraw/zinc/54/38/39/1013543839.db2.gz BNLOHWICBJURLY-CYBMUJFWSA-N 1 0 422.279 3.743 20 5 HHBDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000537973299 1013550132 /nfs/dbraw/zinc/55/01/32/1013550132.db2.gz DTBIAFKGNBTMSC-GFCCVEGCSA-N 1 0 407.854 3.772 20 5 HHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000537990270 1013565105 /nfs/dbraw/zinc/56/51/05/1013565105.db2.gz HRIOLZGNDFKTPD-INIZCTEOSA-N 1 0 403.504 3.620 20 5 HHBDRO O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000537987191 1013561388 /nfs/dbraw/zinc/56/13/88/1013561388.db2.gz NTMQOCBCRGOHOG-PKOBYXMFSA-N 1 0 409.486 3.711 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000054260450 965446930 /nfs/dbraw/zinc/44/69/30/965446930.db2.gz VNWBSPLRJHCSDW-QZTJIDSGSA-N 1 0 416.566 3.684 20 5 HHBDRO CCOc1ccc(NC(=O)CN2CCC[N@H+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000054318689 965476107 /nfs/dbraw/zinc/47/61/07/965476107.db2.gz HHOCOPSOGNITRW-UHFFFAOYSA-N 1 0 418.538 3.520 20 5 HHBDRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000054573168 965567996 /nfs/dbraw/zinc/56/79/96/965567996.db2.gz VLKWAHOTYWXQBK-UHFFFAOYSA-N 1 0 416.909 3.580 20 5 HHBDRO O=C(CC[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000030154970 965622903 /nfs/dbraw/zinc/62/29/03/965622903.db2.gz RIMUDZGIMBGNNU-UHFFFAOYSA-N 1 0 420.872 3.534 20 5 HHBDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1)CC(C)C ZINC000538015295 1013587739 /nfs/dbraw/zinc/58/77/39/1013587739.db2.gz MXHSFUXSTNFJGQ-UHFFFAOYSA-N 1 0 411.568 3.672 20 5 HHBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000058275272 965670535 /nfs/dbraw/zinc/67/05/35/965670535.db2.gz DKJBHPYVHGELRX-INIZCTEOSA-N 1 0 413.474 3.857 20 5 HHBDRO O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc(-c2cccc(CN3CCOCC3)c2)no1 ZINC000553760332 1013595114 /nfs/dbraw/zinc/59/51/14/1013595114.db2.gz AUCCDGCTYGMFQH-FNORWQNLSA-N 1 0 410.405 3.787 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)COc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000059408687 966022979 /nfs/dbraw/zinc/02/29/79/966022979.db2.gz MIXAZMPWINSXOL-HDICACEKSA-N 1 0 411.502 3.768 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000032140421 966194793 /nfs/dbraw/zinc/19/47/93/966194793.db2.gz SDUCZQPWIFSSQU-OAQYLSRUSA-N 1 0 407.474 3.593 20 5 HHBDRO CCOc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000032516471 966276942 /nfs/dbraw/zinc/27/69/42/966276942.db2.gz VRHXQWSMHBMGDE-FQEVSTJZSA-N 1 0 413.474 3.569 20 5 HHBDRO Cc1cc(N2CC[NH+](Cc3ccccc3C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858376 966311833 /nfs/dbraw/zinc/31/18/33/966311833.db2.gz IRZZISCOGITKGW-UHFFFAOYSA-N 1 0 403.486 3.991 20 5 HHBDRO Cc1cc(N2CC[NH+](CCc3cccs3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060861314 966312848 /nfs/dbraw/zinc/31/28/48/966312848.db2.gz RTIXPSBWVBHZKA-UHFFFAOYSA-N 1 0 409.515 3.786 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)cc1OC ZINC000032733950 966319887 /nfs/dbraw/zinc/31/98/87/966319887.db2.gz RFTDNYMWYBLXFT-LJQANCHMSA-N 1 0 415.490 3.597 20 5 HHBDRO COc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cc1[N+](=O)[O-] ZINC000061308787 966427650 /nfs/dbraw/zinc/42/76/50/966427650.db2.gz RBDAVVQMJWCAPW-UHFFFAOYSA-N 1 0 401.488 3.713 20 5 HHBDRO CCOc1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000061568853 966504486 /nfs/dbraw/zinc/50/44/86/966504486.db2.gz KAVVRDNWMWDKJM-UHFFFAOYSA-N 1 0 403.504 3.697 20 5 HHBDRO C[C@H]1CCC[C@](CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000063802711 966963229 /nfs/dbraw/zinc/96/32/29/966963229.db2.gz SFCNSECBAJLZFE-UGSOOPFHSA-N 1 0 417.428 3.776 20 5 HHBDRO COc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000538128243 1013690436 /nfs/dbraw/zinc/69/04/36/1013690436.db2.gz IICFGWVIBDCBBO-NSHDSACASA-N 1 0 408.252 3.655 20 5 HHBDRO Cc1ccc([C@@H](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000064114095 967051312 /nfs/dbraw/zinc/05/13/12/967051312.db2.gz ISNDKDBIXGVTPM-HXUWFJFHSA-N 1 0 407.474 3.583 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000064470655 967200493 /nfs/dbraw/zinc/20/04/93/967200493.db2.gz UKWJWFKTUMDFQR-UHFFFAOYSA-N 1 0 401.410 3.879 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000064722035 967275769 /nfs/dbraw/zinc/27/57/69/967275769.db2.gz HRZLHSXDZCFINW-OAHLLOKOSA-N 1 0 417.893 3.928 20 5 HHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000065511751 967500016 /nfs/dbraw/zinc/50/00/16/967500016.db2.gz LQCZRXUGFPAUAI-HXUWFJFHSA-N 1 0 416.909 3.927 20 5 HHBDRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000538178072 1013737734 /nfs/dbraw/zinc/73/77/34/1013737734.db2.gz PMQUWKHKLGDWGV-NSHDSACASA-N 1 0 424.379 3.861 20 5 HHBDRO CCCC[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(OC)cc1 ZINC000538205110 1013758948 /nfs/dbraw/zinc/75/89/48/1013758948.db2.gz OUDVCWKHMOMRLX-MRXNPFEDSA-N 1 0 415.446 3.792 20 5 HHBDRO COCCSc1ccc([C@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000538204635 1013759256 /nfs/dbraw/zinc/75/92/56/1013759256.db2.gz IMMCMGUNJCJGLL-HNNXBMFYSA-N 1 0 415.515 3.573 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000538216481 1013768213 /nfs/dbraw/zinc/76/82/13/1013768213.db2.gz CQGAKYIHTDZOEL-NRFANRHFSA-N 1 0 421.453 3.952 20 5 HHBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000047187815 968081667 /nfs/dbraw/zinc/08/16/67/968081667.db2.gz KFYNZLZDFZDOIT-LJQANCHMSA-N 1 0 405.542 3.783 20 5 HHBDRO Cc1[nH]nc(C(=O)Nc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)c1[N+](=O)[O-] ZINC000538220405 1013771893 /nfs/dbraw/zinc/77/18/93/1013771893.db2.gz DXRAZDPRODXKQP-GOSISDBHSA-N 1 0 415.494 3.658 20 5 HHBDRO CC1CC[NH+](CCCCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000047866039 968347205 /nfs/dbraw/zinc/34/72/05/968347205.db2.gz PQRRNHQENGMPID-UHFFFAOYSA-N 1 0 400.426 3.830 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000048159011 968461402 /nfs/dbraw/zinc/46/14/02/968461402.db2.gz BQADCTSHQSTCGY-ZDUSSCGKSA-N 1 0 403.401 3.530 20 5 HHBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1 ZINC000554111861 1013802768 /nfs/dbraw/zinc/80/27/68/1013802768.db2.gz JAVHGMVVIKCMBR-DEYYWGMASA-N 1 0 400.504 3.521 20 5 HHBDRO CC1CC[NH+]([C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000065802710 968651628 /nfs/dbraw/zinc/65/16/28/968651628.db2.gz GFGOLLIJDHMPHQ-OAQYLSRUSA-N 1 0 411.502 3.953 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000554135736 1013815815 /nfs/dbraw/zinc/81/58/15/1013815815.db2.gz OHBFYTUDCVOZDF-FVJLSDCUSA-N 1 0 423.517 3.862 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000065931393 968721902 /nfs/dbraw/zinc/72/19/02/968721902.db2.gz SHSQKJUZOGERJS-UHFFFAOYSA-N 1 0 400.454 3.512 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000065938632 968729100 /nfs/dbraw/zinc/72/91/00/968729100.db2.gz PVWCOQQRHPNAMH-UHFFFAOYSA-N 1 0 402.401 3.558 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1SC ZINC000097548873 969157985 /nfs/dbraw/zinc/15/79/85/969157985.db2.gz DIWWVMFTJAPIKX-INIZCTEOSA-N 1 0 419.503 3.794 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000108708721 969413171 /nfs/dbraw/zinc/41/31/71/969413171.db2.gz IOHFFUPGCCZRBX-PKOBYXMFSA-N 1 0 417.531 3.749 20 5 HHBDRO C[C@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000108967795 969441651 /nfs/dbraw/zinc/44/16/51/969441651.db2.gz JASRTGWQZVRMNE-KRWDZBQOSA-N 1 0 423.517 3.566 20 5 HHBDRO C[C@@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000108967796 969441741 /nfs/dbraw/zinc/44/17/41/969441741.db2.gz JASRTGWQZVRMNE-QGZVFWFLSA-N 1 0 423.517 3.566 20 5 HHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000109278341 969490415 /nfs/dbraw/zinc/49/04/15/969490415.db2.gz HNNANLKAJIRENI-UHFFFAOYSA-N 1 0 407.474 3.552 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000109307250 969495729 /nfs/dbraw/zinc/49/57/29/969495729.db2.gz BCYLSGDWRRGKOS-FQEVSTJZSA-N 1 0 422.529 3.837 20 5 HHBDRO CC[NH+]1CCN(Cc2ccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)cc2)CC1 ZINC000111193981 969797736 /nfs/dbraw/zinc/79/77/36/969797736.db2.gz HUVJCGLTHSUCJW-UHFFFAOYSA-N 1 0 411.531 3.954 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000138372898 969991288 /nfs/dbraw/zinc/99/12/88/969991288.db2.gz YCUXNJCYTIIPLQ-OAHLLOKOSA-N 1 0 417.893 3.928 20 5 HHBDRO O=C1CCc2cc([N+](=O)[O-])c(NCC3CC[NH+](Cc4cccs4)CC3)cc2N1 ZINC000195741623 969995114 /nfs/dbraw/zinc/99/51/14/969995114.db2.gz OHHLACDMGDYOSC-UHFFFAOYSA-N 1 0 400.504 3.865 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000138641771 970005402 /nfs/dbraw/zinc/00/54/02/970005402.db2.gz ZJMXYBDRQZNMPH-UHFFFAOYSA-N 1 0 412.515 3.970 20 5 HHBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000227416597 970118451 /nfs/dbraw/zinc/11/84/51/970118451.db2.gz CKNZNZYDHHHTBX-KGLIPLIRSA-N 1 0 416.444 3.652 20 5 HHBDRO CC1CC[NH+](C[C@@H](O)CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000236623299 970147890 /nfs/dbraw/zinc/14/78/90/970147890.db2.gz MEZUNROXOMXNEX-INIZCTEOSA-N 1 0 407.898 3.691 20 5 HHBDRO C[C@@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000142830239 970170175 /nfs/dbraw/zinc/17/01/75/970170175.db2.gz MOTMIJFLDQZLKY-MRXNPFEDSA-N 1 0 414.531 3.625 20 5 HHBDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236997857 970204271 /nfs/dbraw/zinc/20/42/71/970204271.db2.gz VPQAYEDNFJCGHL-INIZCTEOSA-N 1 0 421.501 3.813 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237246810 970248746 /nfs/dbraw/zinc/24/87/46/970248746.db2.gz BMRPLTMQFMHKSL-MJGOQNOKSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1cc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc1OCCO ZINC000237265151 970250890 /nfs/dbraw/zinc/25/08/90/970250890.db2.gz KPRZZCPOGUHNNC-UHFFFAOYSA-N 1 0 414.483 3.993 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000237297891 970257464 /nfs/dbraw/zinc/25/74/64/970257464.db2.gz LPADVHOJEVWZED-ZDUSSCGKSA-N 1 0 419.865 3.569 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237333490 970264816 /nfs/dbraw/zinc/26/48/16/970264816.db2.gz XDZINGGDJMFHMN-GOSISDBHSA-N 1 0 408.458 3.553 20 5 HHBDRO O=C(CC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000554527523 1013971915 /nfs/dbraw/zinc/97/19/15/1013971915.db2.gz BAZCLEWSNYCKCI-UHFFFAOYSA-N 1 0 416.909 3.831 20 5 HHBDRO C[C@@H](CO[C@H]1CCOC1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237459208 970292304 /nfs/dbraw/zinc/29/23/04/970292304.db2.gz XIOSABDSJFVACU-JTSKRJEESA-N 1 0 422.485 3.731 20 5 HHBDRO Cn1cc(C[NH2+]CC(C)(C)N2CCc3ccccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237752683 970355433 /nfs/dbraw/zinc/35/54/33/970355433.db2.gz HRXYZCORMVAKMI-UHFFFAOYSA-N 1 0 419.529 3.922 20 5 HHBDRO Cn1cc(C[NH2+]Cc2cccc(OCC(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237933835 970397627 /nfs/dbraw/zinc/39/76/27/970397627.db2.gz SMVANLQAYLKNMP-UHFFFAOYSA-N 1 0 402.401 3.929 20 5 HHBDRO C[C@H]1[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000554642295 1013997819 /nfs/dbraw/zinc/99/78/19/1013997819.db2.gz ZRFNLKLZBQGJCZ-XJKSGUPXSA-N 1 0 405.401 3.589 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000150212955 970435052 /nfs/dbraw/zinc/43/50/52/970435052.db2.gz GFTKKBHIWHQYHI-INIZCTEOSA-N 1 0 403.504 3.975 20 5 HHBDRO CNC(=O)c1ccc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000301083388 970740091 /nfs/dbraw/zinc/74/00/91/970740091.db2.gz KVZCDGGFTFKBJE-IBGZPJMESA-N 1 0 402.882 3.857 20 5 HHBDRO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c(Cl)c1 ZINC000301088543 970742937 /nfs/dbraw/zinc/74/29/37/970742937.db2.gz HGKKDRZXLKXYSL-QGZVFWFLSA-N 1 0 415.925 3.682 20 5 HHBDRO Cc1c(Br)c(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000311223710 972627207 /nfs/dbraw/zinc/62/72/07/972627207.db2.gz WAPVPISVSRRNLZ-HNNXBMFYSA-N 1 0 405.296 3.995 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000311834072 972628447 /nfs/dbraw/zinc/62/84/47/972628447.db2.gz SJCLTPWTFZDQSM-HNNXBMFYSA-N 1 0 418.291 3.609 20 5 HHBDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000410046175 973527120 /nfs/dbraw/zinc/52/71/20/973527120.db2.gz BYFJFFRQAVGERZ-NRFANRHFSA-N 1 0 411.502 3.563 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000410318788 973864024 /nfs/dbraw/zinc/86/40/24/973864024.db2.gz ZIVCHQLLSMDUAY-AWEZNQCLSA-N 1 0 418.444 3.506 20 5 HHBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426047415 974168873 /nfs/dbraw/zinc/16/88/73/974168873.db2.gz GHVSTORCEQETKU-UHFFFAOYSA-N 1 0 408.502 3.717 20 5 HHBDRO C[NH+](C)CCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCCC1 ZINC000426270324 974360081 /nfs/dbraw/zinc/36/00/81/974360081.db2.gz IAKLMXJLCLLJRI-UHFFFAOYSA-N 1 0 402.417 3.629 20 5 HHBDRO COc1ccc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000426370646 974418907 /nfs/dbraw/zinc/41/89/07/974418907.db2.gz IJCOWXVFACRIEA-UHFFFAOYSA-N 1 0 421.453 3.841 20 5 HHBDRO CC[NH+](CC)CCN(Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(Cl)c(Cl)c1 ZINC000426475368 974472981 /nfs/dbraw/zinc/47/29/81/974472981.db2.gz YHBSTKPDZGSUAD-UHFFFAOYSA-N 1 0 414.337 3.979 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426722521 974616193 /nfs/dbraw/zinc/61/61/93/974616193.db2.gz HTYDKRVLHDFNKF-UHFFFAOYSA-N 1 0 406.527 3.518 20 5 HHBDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000427290243 975028168 /nfs/dbraw/zinc/02/81/68/975028168.db2.gz YXMMIJAVHCERRF-GJZGRUSLSA-N 1 0 409.914 3.600 20 5 HHBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)n1 ZINC000427388684 975088881 /nfs/dbraw/zinc/08/88/81/975088881.db2.gz BPMUPJQMPAEKII-UHFFFAOYSA-N 1 0 421.501 3.586 20 5 HHBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000428153172 975480613 /nfs/dbraw/zinc/48/06/13/975480613.db2.gz UKCMDZUOXZLWLP-MLGOLLRUSA-N 1 0 405.296 3.826 20 5 HHBDRO CCOc1cc(C[N@@H+]2CC[C@H]3CCC[C@H]32)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000428457621 975762227 /nfs/dbraw/zinc/76/22/27/975762227.db2.gz KDFSCOZKACNFGO-RTBURBONSA-N 1 0 414.506 3.952 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000428539312 975839891 /nfs/dbraw/zinc/83/98/91/975839891.db2.gz SATYNAUMNSDEMO-OAHLLOKOSA-N 1 0 423.307 3.697 20 5 HHBDRO C/C=C\c1ccc(OC[C@@H](O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000429259215 976546419 /nfs/dbraw/zinc/54/64/19/976546419.db2.gz JMVBNOFNATYMDI-AFCDSYGPSA-N 1 0 400.475 3.901 20 5 HHBDRO Cc1noc(C[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000429472506 976738347 /nfs/dbraw/zinc/73/83/47/976738347.db2.gz PMIYNMDVWWGPPT-IFXJQAMLSA-N 1 0 409.446 3.577 20 5 HHBDRO COC(=O)COc1ccc(C[NH+]2CCC(c3ccc(F)cc3C)CC2)cc1[N+](=O)[O-] ZINC000430084743 977313308 /nfs/dbraw/zinc/31/33/08/977313308.db2.gz LSOQTGYZIWQDMM-UHFFFAOYSA-N 1 0 416.449 3.974 20 5 HHBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000430124622 977332445 /nfs/dbraw/zinc/33/24/45/977332445.db2.gz AUPAXXBOOMVMRV-XMMPIXPASA-N 1 0 417.513 3.975 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000430645185 977665963 /nfs/dbraw/zinc/66/59/63/977665963.db2.gz ZSHXRNQVBNUEKB-YLJYHZDGSA-N 1 0 419.485 3.563 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000430666131 977677749 /nfs/dbraw/zinc/67/77/49/977677749.db2.gz YHOOZMALIHINNQ-YJBOKZPZSA-N 1 0 401.894 3.960 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000430668400 977680245 /nfs/dbraw/zinc/68/02/45/977680245.db2.gz RJFOLXLYLXRGIK-HKUYNNGSSA-N 1 0 419.485 3.563 20 5 HHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430820308 977776587 /nfs/dbraw/zinc/77/65/87/977776587.db2.gz FKNJEYGKWIAJTR-BBRMVZONSA-N 1 0 412.328 3.988 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430958214 977913340 /nfs/dbraw/zinc/91/33/40/977913340.db2.gz RVQXAYCPLZOIPC-OAQYLSRUSA-N 1 0 411.502 3.956 20 5 HHBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431071410 978002632 /nfs/dbraw/zinc/00/26/32/978002632.db2.gz PHYKWVIISJELSH-UHFFFAOYSA-N 1 0 411.506 3.712 20 5 HHBDRO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000431566788 978362442 /nfs/dbraw/zinc/36/24/42/978362442.db2.gz VYBDWAATROCDQP-OAHLLOKOSA-N 1 0 411.930 3.890 20 5 HHBDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000431802755 978525776 /nfs/dbraw/zinc/52/57/76/978525776.db2.gz YPCRXGOFNXUCMU-UHFFFAOYSA-N 1 0 416.444 3.652 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431806537 978527845 /nfs/dbraw/zinc/52/78/45/978527845.db2.gz BSKUGJUOPYFURB-UHFFFAOYSA-N 1 0 424.270 3.700 20 5 HHBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000431918551 978600372 /nfs/dbraw/zinc/60/03/72/978600372.db2.gz JCGRIDHZTDHRTH-YOEHRIQHSA-N 1 0 423.922 3.580 20 5 HHBDRO Cc1cc(OCC(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000432054608 978662723 /nfs/dbraw/zinc/66/27/23/978662723.db2.gz VTHXQSPUTRLBIO-UHFFFAOYSA-N 1 0 407.854 3.515 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)SCC[N@H+](C)Cc1ccccc1 ZINC000433036284 979048829 /nfs/dbraw/zinc/04/88/29/979048829.db2.gz SVOWTVAVHUQGGA-HNNXBMFYSA-N 1 0 403.504 3.796 20 5 HHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000433043300 979050137 /nfs/dbraw/zinc/05/01/37/979050137.db2.gz IEYJPNOGBWOYSI-MRXNPFEDSA-N 1 0 408.458 3.732 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)nc2c1 ZINC000433127411 979087255 /nfs/dbraw/zinc/08/72/55/979087255.db2.gz SLGYHHYOUCLROH-UHFFFAOYSA-N 1 0 405.502 3.959 20 5 HHBDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433152990 979102312 /nfs/dbraw/zinc/10/23/12/979102312.db2.gz UNGFEBYCGCNYTR-YJYMSZOUSA-N 1 0 403.504 3.576 20 5 HHBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000433165965 979111203 /nfs/dbraw/zinc/11/12/03/979111203.db2.gz WLWRVKCNAZTOIE-VBKZILBWSA-N 1 0 417.531 3.918 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433215432 979149039 /nfs/dbraw/zinc/14/90/39/979149039.db2.gz YKJBJUFGTNPFLP-UHFFFAOYSA-N 1 0 422.529 3.830 20 5 HHBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000434019262 979762715 /nfs/dbraw/zinc/76/27/15/979762715.db2.gz XJCMGZIFZOTWIB-QFIPXVFZSA-N 1 0 411.506 3.570 20 5 HHBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000434054436 979793745 /nfs/dbraw/zinc/79/37/45/979793745.db2.gz UDOYIJGMYRSBPU-CABCVRRESA-N 1 0 414.428 3.501 20 5 HHBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000434322955 980086536 /nfs/dbraw/zinc/08/65/36/980086536.db2.gz YGMVFZDPYYRJAK-GOSISDBHSA-N 1 0 420.473 3.502 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434689285 980341374 /nfs/dbraw/zinc/34/13/74/980341374.db2.gz AAHUWEVGXARPMY-UHFFFAOYSA-N 1 0 413.449 3.966 20 5 HHBDRO Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435273603 980752653 /nfs/dbraw/zinc/75/26/53/980752653.db2.gz AZPSSJIZUPIPBM-HXUWFJFHSA-N 1 0 419.485 3.728 20 5 HHBDRO Cc1c(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435322897 980781372 /nfs/dbraw/zinc/78/13/72/980781372.db2.gz HWBGMTAGXWNAAW-ZDUSSCGKSA-N 1 0 413.316 3.765 20 5 HHBDRO Cc1cc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000435367757 980815812 /nfs/dbraw/zinc/81/58/12/980815812.db2.gz ZWHGLDMXPFEVFF-IBGZPJMESA-N 1 0 405.458 3.799 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435369463 980818844 /nfs/dbraw/zinc/81/88/44/980818844.db2.gz LHLKNIRCBOVYNQ-IBGZPJMESA-N 1 0 405.458 3.799 20 5 HHBDRO CC(C)n1c(Sc2cc(C(F)(F)F)ncc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000436386356 981340715 /nfs/dbraw/zinc/34/07/15/981340715.db2.gz HZLHNFJIKAYSLB-SNVBAGLBSA-N 1 0 416.429 3.799 20 5 HHBDRO COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000437177849 981833597 /nfs/dbraw/zinc/83/35/97/981833597.db2.gz USVDJTUIRSZXDJ-KRWDZBQOSA-N 1 0 411.380 3.655 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000437544860 982174559 /nfs/dbraw/zinc/17/45/59/982174559.db2.gz FSSXCGFDPPSLDU-UHFFFAOYSA-N 1 0 423.517 3.933 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000437842615 982399547 /nfs/dbraw/zinc/39/95/47/982399547.db2.gz PNONMFTZSMXEMV-HNNXBMFYSA-N 1 0 410.312 3.884 20 5 HHBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000437842617 982399715 /nfs/dbraw/zinc/39/97/15/982399715.db2.gz PNONMFTZSMXEMV-OAHLLOKOSA-N 1 0 410.312 3.884 20 5 HHBDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)C[C@H]1C ZINC000460739103 982497433 /nfs/dbraw/zinc/49/74/33/982497433.db2.gz WRBXUFWXGPBKED-SJLPKXTDSA-N 1 0 400.527 3.818 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437994809 982511897 /nfs/dbraw/zinc/51/18/97/982511897.db2.gz QCBVAASVLPMUFD-FQEVSTJZSA-N 1 0 422.529 3.833 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)cc2[N+](=O)[O-])C1 ZINC000461264615 982970860 /nfs/dbraw/zinc/97/08/60/982970860.db2.gz OZZBXPZLTSHTFB-PKOBYXMFSA-N 1 0 402.539 3.778 20 5 HHBDRO CC(C)c1ccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000461420954 983084370 /nfs/dbraw/zinc/08/43/70/983084370.db2.gz QUELYAVPXHPCFN-UHFFFAOYSA-N 1 0 403.504 3.548 20 5 HHBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461421712 983084927 /nfs/dbraw/zinc/08/49/27/983084927.db2.gz BVNPIWHLBAYFLE-RTBURBONSA-N 1 0 411.527 3.667 20 5 HHBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461432783 983095520 /nfs/dbraw/zinc/09/55/20/983095520.db2.gz VSFQAJGOPYLDKI-MSOLQXFVSA-N 1 0 404.470 3.670 20 5 HHBDRO CC(C)[N@@H+](Cc1ccc(-c2ccc(F)cc2)s1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438837246 983106069 /nfs/dbraw/zinc/10/60/69/983106069.db2.gz RMEJFIJIZVCJCA-SFHVURJKSA-N 1 0 418.494 3.930 20 5 HHBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448797 983114073 /nfs/dbraw/zinc/11/40/73/983114073.db2.gz LQGWJYXCUUWHBP-AZUAARDMSA-N 1 0 418.497 3.599 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461457338 983123520 /nfs/dbraw/zinc/12/35/20/983123520.db2.gz QCCJODVLJOIUDP-LEWJYISDSA-N 1 0 418.497 3.530 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000439126890 983263212 /nfs/dbraw/zinc/26/32/12/983263212.db2.gz GEZSIVGTZWUXTL-MGPUTAFESA-N 1 0 407.474 3.663 20 5 HHBDRO CC(C)c1ccc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1[N+](=O)[O-] ZINC000439269862 983340047 /nfs/dbraw/zinc/34/00/47/983340047.db2.gz VQVILCDVWSZFPY-UHFFFAOYSA-N 1 0 411.502 3.605 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000439765462 983529585 /nfs/dbraw/zinc/52/95/85/983529585.db2.gz GOBIVGNGQNDFKL-KRWDZBQOSA-N 1 0 411.506 3.524 20 5 HHBDRO CCOC(=O)[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)Cc2ccccc21 ZINC000441122919 984079024 /nfs/dbraw/zinc/07/90/24/984079024.db2.gz IBGCZXZXQKNCJQ-FQEVSTJZSA-N 1 0 421.453 3.955 20 5 HHBDRO CS[C@@H]1CCCCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000441136325 984084992 /nfs/dbraw/zinc/08/49/92/984084992.db2.gz VWAFTDGFICBNBI-OAHLLOKOSA-N 1 0 406.533 3.874 20 5 HHBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000441162574 984096813 /nfs/dbraw/zinc/09/68/13/984096813.db2.gz CGEQWVRJSCUOJL-QGZVFWFLSA-N 1 0 400.431 3.591 20 5 HHBDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000441379778 984220246 /nfs/dbraw/zinc/22/02/46/984220246.db2.gz DWTUYGKAMCMHCS-UWJYYQICSA-N 1 0 407.474 3.766 20 5 HHBDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441384348 984222976 /nfs/dbraw/zinc/22/29/76/984222976.db2.gz NQQCDILROAXZBB-UWJYYQICSA-N 1 0 407.474 3.766 20 5 HHBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000461652532 984672116 /nfs/dbraw/zinc/67/21/16/984672116.db2.gz ZINSKBMZWWIFLV-ZDUSSCGKSA-N 1 0 401.457 3.810 20 5 HHBDRO Cc1cc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461942661 984943907 /nfs/dbraw/zinc/94/39/07/984943907.db2.gz DCTJUMOYTQWAPJ-SNVBAGLBSA-N 1 0 401.414 3.669 20 5 HHBDRO Cc1cccc(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000462412572 985386882 /nfs/dbraw/zinc/38/68/82/985386882.db2.gz YRLCNSZMYKTUEE-UHFFFAOYSA-N 1 0 407.392 3.880 20 5 HHBDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000467978954 985623546 /nfs/dbraw/zinc/62/35/46/985623546.db2.gz AWZCNVBLQVHPCZ-UHFFFAOYSA-N 1 0 420.513 3.675 20 5 HHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ncc(Br)cc1Br ZINC000468007272 985659104 /nfs/dbraw/zinc/65/91/04/985659104.db2.gz WRIFKJWCQSNVNT-UHFFFAOYSA-N 1 0 415.085 3.847 20 5 HHBDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000468037722 985694744 /nfs/dbraw/zinc/69/47/44/985694744.db2.gz JTUMCGVBFOTZIY-GFCCVEGCSA-N 1 0 407.854 3.772 20 5 HHBDRO CCCn1cc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)cn1 ZINC000462824189 985748519 /nfs/dbraw/zinc/74/85/19/985748519.db2.gz CGUABZXFBRKDEG-UHFFFAOYSA-N 1 0 409.437 3.515 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)CC2)c1 ZINC000468132766 985797429 /nfs/dbraw/zinc/79/74/29/985797429.db2.gz NJJJKQFPPFZNOS-UHFFFAOYSA-N 1 0 424.545 3.853 20 5 HHBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCN(c3ccccc3)CC2)cc1OC(F)F ZINC000462924525 985858816 /nfs/dbraw/zinc/85/88/16/985858816.db2.gz GIHSOGVKXNPVJV-UHFFFAOYSA-N 1 0 406.433 3.820 20 5 HHBDRO O=C(NC1CC1)c1ccc(N2CCC(CCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000443877714 986078476 /nfs/dbraw/zinc/07/84/76/986078476.db2.gz LLFRTFFQHUONOW-UHFFFAOYSA-N 1 0 400.523 3.579 20 5 HHBDRO NC(=O)[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])Cc1ccccc1Cl ZINC000468473920 986168160 /nfs/dbraw/zinc/16/81/60/986168160.db2.gz BGFNVHQMEYRASF-IMFGXOCKSA-N 1 0 415.921 3.893 20 5 HHBDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000463209586 986181399 /nfs/dbraw/zinc/18/13/99/986181399.db2.gz KSSXPZDWKWNWCJ-UJNZZBMASA-N 1 0 409.914 3.838 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000468484107 986181525 /nfs/dbraw/zinc/18/15/25/986181525.db2.gz PRODNYZMMXYZPO-IAGOWNOFSA-N 1 0 402.438 3.929 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000463212638 986184466 /nfs/dbraw/zinc/18/44/66/986184466.db2.gz MMUCWPRCQACVPL-GDVKCFTOSA-N 1 0 403.523 3.883 20 5 HHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c1 ZINC000444005317 986201882 /nfs/dbraw/zinc/20/18/82/986201882.db2.gz VZUPABATNSGLAK-NSHDSACASA-N 1 0 420.334 3.554 20 5 HHBDRO CCOc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000444038759 986237124 /nfs/dbraw/zinc/23/71/24/986237124.db2.gz QMZYDSALAWSQBU-LSDHHAIUSA-N 1 0 408.499 3.729 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000468598134 986308900 /nfs/dbraw/zinc/30/89/00/986308900.db2.gz OQOWRTNOIWVNQK-MDWZMJQESA-N 1 0 404.264 3.989 20 5 HHBDRO COc1cc2c(cc1OC)CN(CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC2 ZINC000468630409 986347657 /nfs/dbraw/zinc/34/76/57/986347657.db2.gz HLIFQFCDJDBEAO-GZTJUZNOSA-N 1 0 411.502 3.663 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000468642492 986357718 /nfs/dbraw/zinc/35/77/18/986357718.db2.gz RVYMRBSHXMFXKY-CJBPROBKSA-N 1 0 409.486 3.697 20 5 HHBDRO C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000463411934 986381231 /nfs/dbraw/zinc/38/12/31/986381231.db2.gz HAKATCYJNPWPCP-ZDUSSCGKSA-N 1 0 407.392 3.790 20 5 HHBDRO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000444242772 986434952 /nfs/dbraw/zinc/43/49/52/986434952.db2.gz HAGWKSNOLGQARO-HXOBKFHXSA-N 1 0 401.510 3.770 20 5 HHBDRO C[C@@H](CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[NH+]1CCCCC1 ZINC000444289498 986477790 /nfs/dbraw/zinc/47/77/90/986477790.db2.gz GDYIIDQSVINFPR-AWEZNQCLSA-N 1 0 413.468 3.954 20 5 HHBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cccc21 ZINC000469071350 986784156 /nfs/dbraw/zinc/78/41/56/986784156.db2.gz PRRQRIUKGNEZIF-INIZCTEOSA-N 1 0 420.263 3.995 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000469487207 987167851 /nfs/dbraw/zinc/16/78/51/987167851.db2.gz DUUBPQSNJIQGKL-KRWDZBQOSA-N 1 0 411.380 3.655 20 5 HHBDRO Cc1nc([N+](=O)[O-])c(-c2noc(-c3cccc(C[N@H+](C)Cc4ccccc4)c3)n2)n1C ZINC000445611712 987681419 /nfs/dbraw/zinc/68/14/19/987681419.db2.gz CRYOOMZEJCTKOE-UHFFFAOYSA-N 1 0 418.457 3.986 20 5 HHBDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000470117925 988019482 /nfs/dbraw/zinc/01/94/82/988019482.db2.gz RFVLWJMKGMGZKY-LJQANCHMSA-N 1 0 404.442 3.565 20 5 HHBDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000470117924 988019769 /nfs/dbraw/zinc/01/97/69/988019769.db2.gz RFVLWJMKGMGZKY-IBGZPJMESA-N 1 0 404.442 3.565 20 5 HHBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC000470119938 988021760 /nfs/dbraw/zinc/02/17/60/988021760.db2.gz DKFYRVMRXKHRMB-UHFFFAOYSA-N 1 0 408.462 3.578 20 5 HHBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1 ZINC000470122849 988025130 /nfs/dbraw/zinc/02/51/30/988025130.db2.gz UVQUANOBMSRFJW-UHFFFAOYSA-N 1 0 412.490 3.526 20 5 HHBDRO COc1cc(C[NH2+]CCc2cc(C)c(O)c(C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000470146366 988053892 /nfs/dbraw/zinc/05/38/92/988053892.db2.gz HXRSOPSTDYLVPJ-UHFFFAOYSA-N 1 0 410.417 3.902 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000463954310 988065942 /nfs/dbraw/zinc/06/59/42/988065942.db2.gz JHXISZORJSZHQG-IRXDYDNUSA-N 1 0 404.511 3.565 20 5 HHBDRO CC(C)[NH+](CCCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000470502379 988497395 /nfs/dbraw/zinc/49/73/95/988497395.db2.gz ITUABTWWACFFGH-UHFFFAOYSA-N 1 0 406.527 3.657 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000470610412 988628635 /nfs/dbraw/zinc/62/86/35/988628635.db2.gz FMZPMVZTRSKSBZ-ROUUACIJSA-N 1 0 410.518 3.593 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000470610411 988628718 /nfs/dbraw/zinc/62/87/18/988628718.db2.gz FMZPMVZTRSKSBZ-QZTJIDSGSA-N 1 0 410.518 3.593 20 5 HHBDRO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470662574 988682515 /nfs/dbraw/zinc/68/25/15/988682515.db2.gz KOCCSHYRUWSRRO-QFIPXVFZSA-N 1 0 410.518 3.910 20 5 HHBDRO CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470671734 988693860 /nfs/dbraw/zinc/69/38/60/988693860.db2.gz ALWMGDSFKDDGBJ-NRFANRHFSA-N 1 0 406.486 3.673 20 5 HHBDRO O=C(CC[N@@H+]1CCC[C@H](OCc2ccccc2F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000470917501 988992817 /nfs/dbraw/zinc/99/28/17/988992817.db2.gz FYEAZZJANJGRJG-IBGZPJMESA-N 1 0 401.438 3.744 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000471003086 989070402 /nfs/dbraw/zinc/07/04/02/989070402.db2.gz CDJKNGAEBHGERS-MSOLQXFVSA-N 1 0 412.412 3.788 20 5 HHBDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000471045626 989123626 /nfs/dbraw/zinc/12/36/26/989123626.db2.gz UWDIDPRXPWFPIP-MRXNPFEDSA-N 1 0 412.490 3.561 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000471165125 989287354 /nfs/dbraw/zinc/28/73/54/989287354.db2.gz LXTJAUUEWBKAEK-IBGZPJMESA-N 1 0 412.490 3.533 20 5 HHBDRO COc1cc(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000471219918 989362515 /nfs/dbraw/zinc/36/25/15/989362515.db2.gz UMMKGRARUHBGHH-UHFFFAOYSA-N 1 0 412.490 3.634 20 5 HHBDRO Cc1sc(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000471219172 989362528 /nfs/dbraw/zinc/36/25/28/989362528.db2.gz GPCBKAUZSKXHCZ-UHFFFAOYSA-N 1 0 402.520 3.995 20 5 HHBDRO C[C@H](CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[N@H+](C)Cc1ccccc1 ZINC000471454459 989641078 /nfs/dbraw/zinc/64/10/78/989641078.db2.gz DIBXTFPNMVNNKW-LJQANCHMSA-N 1 0 424.545 3.838 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOCC(F)F)o2)c(Br)c1 ZINC000471546756 989745752 /nfs/dbraw/zinc/74/57/52/989745752.db2.gz GRVLEVIHYDRTHO-UHFFFAOYSA-N 1 0 405.195 3.989 20 5 HHBDRO C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471572286 989774125 /nfs/dbraw/zinc/77/41/25/989774125.db2.gz GMPAXTARRVCMFX-JTSKRJEESA-N 1 0 410.518 3.619 20 5 HHBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000465607923 989991300 /nfs/dbraw/zinc/99/13/00/989991300.db2.gz SUSSXPXNQODYGQ-GOSISDBHSA-N 1 0 418.538 3.660 20 5 HHBDRO CCCOc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCCC ZINC000466038130 991208902 /nfs/dbraw/zinc/20/89/02/991208902.db2.gz KEQUWGVIQPGCKW-HUUCEWRRSA-N 1 0 408.499 3.777 20 5 HHBDRO C[C@@H]1C[C@@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000466147804 991330925 /nfs/dbraw/zinc/33/09/25/991330925.db2.gz RDXGVXHZDAFWHD-NQIIRXRSSA-N 1 0 410.518 3.832 20 5 HHBDRO COc1ccc(C[NH2+]Cc2ccc(I)c(C)c2)cc1[N+](=O)[O-] ZINC000466365950 991637840 /nfs/dbraw/zinc/63/78/40/991637840.db2.gz YUJRXLSKPSOVQN-UHFFFAOYSA-N 1 0 412.227 3.806 20 5 HHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000466585199 991902013 /nfs/dbraw/zinc/90/20/13/991902013.db2.gz FXFSZYRKKYXZHV-YOEHRIQHSA-N 1 0 402.882 3.883 20 5 HHBDRO Cc1sc(S(=O)(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467051254 992360021 /nfs/dbraw/zinc/36/00/21/992360021.db2.gz NAUMTZXXGTVHKM-RHSMWYFYSA-N 1 0 423.560 3.544 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000467227392 992550764 /nfs/dbraw/zinc/55/07/64/992550764.db2.gz WBIFYBGALKGFCT-CQSZACIVSA-N 1 0 417.897 3.668 20 5 HHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)n1 ZINC000467402682 992710543 /nfs/dbraw/zinc/71/05/43/992710543.db2.gz FKAHBQSWAJWQPH-PKOBYXMFSA-N 1 0 419.913 3.555 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000467878286 993107597 /nfs/dbraw/zinc/10/75/97/993107597.db2.gz LNTMGIMSZBJKKV-CQSZACIVSA-N 1 0 411.549 3.580 20 5 HHBDRO CC(C)CCSc1ccc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000472426626 993424968 /nfs/dbraw/zinc/42/49/68/993424968.db2.gz PYNXVZGZHPXCSG-UHFFFAOYSA-N 1 0 423.579 3.698 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000472502240 993500969 /nfs/dbraw/zinc/50/09/69/993500969.db2.gz QDMJZVTZHPMLKW-ROUUACIJSA-N 1 0 410.518 3.670 20 5 HHBDRO COc1c[nH+]ccc1N1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000481059026 993900314 /nfs/dbraw/zinc/90/03/14/993900314.db2.gz XSTKABPCVLCSPM-UHFFFAOYSA-N 1 0 418.453 3.556 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCc4ccc(F)c(F)c4)CC3)nc2c1 ZINC000481179974 994010474 /nfs/dbraw/zinc/01/04/74/994010474.db2.gz KPLJUVBZGCATSL-UHFFFAOYSA-N 1 0 401.417 3.504 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000481190331 994022236 /nfs/dbraw/zinc/02/22/36/994022236.db2.gz LHXDKNNURVNBRS-UZLBHIALSA-N 1 0 407.474 3.645 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481190868 994023189 /nfs/dbraw/zinc/02/31/89/994023189.db2.gz PNVGGRCTIHZRIE-CRAIPNDOSA-N 1 0 416.909 3.687 20 5 HHBDRO O=C(NC[C@H]1CCCO1)c1cccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000481580319 994419717 /nfs/dbraw/zinc/41/97/17/994419717.db2.gz XLXGLHYHIWDONK-YADHBBJMSA-N 1 0 423.513 3.615 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cccc1[N+](=O)[O-] ZINC000481581334 994420610 /nfs/dbraw/zinc/42/06/10/994420610.db2.gz LWPFVXRWHKLROP-MRXNPFEDSA-N 1 0 405.520 3.783 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000473670351 994558862 /nfs/dbraw/zinc/55/88/62/994558862.db2.gz KOQMECOMVAYONA-CQSZACIVSA-N 1 0 410.257 3.805 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000481807352 994655378 /nfs/dbraw/zinc/65/53/78/994655378.db2.gz BYYAOEGALRHBJJ-CVEARBPZSA-N 1 0 402.422 3.712 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1 ZINC000481819335 994669763 /nfs/dbraw/zinc/66/97/63/994669763.db2.gz ADLLWNQWLCTSEK-CVEARBPZSA-N 1 0 406.866 3.775 20 5 HHBDRO COc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481887248 994753851 /nfs/dbraw/zinc/75/38/51/994753851.db2.gz CENVIWCUBFFESO-VQTJNVASSA-N 1 0 409.486 3.730 20 5 HHBDRO Cc1ccccc1[C@H]([C@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000473933437 994906238 /nfs/dbraw/zinc/90/62/38/994906238.db2.gz QUHIEARJSVPAQV-GUYCJALGSA-N 1 0 411.911 3.526 20 5 HHBDRO COc1cccc([C@H]2[C@H](NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC[N@@H+]2C2CC2)c1 ZINC000482017343 994926547 /nfs/dbraw/zinc/92/65/47/994926547.db2.gz VKHHMHRVQNVEBA-IRLDBZIGSA-N 1 0 420.469 3.793 20 5 HHBDRO CNc1c(C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)cccc1[N+](=O)[O-] ZINC000482020674 994933163 /nfs/dbraw/zinc/93/31/63/994933163.db2.gz HSDCQMUTAZXBFK-UHFFFAOYSA-N 1 0 411.506 3.728 20 5 HHBDRO C[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000482046597 994969371 /nfs/dbraw/zinc/96/93/71/994969371.db2.gz VKTUAZXCWUAABU-ZDUSSCGKSA-N 1 0 406.280 3.828 20 5 HHBDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000482135551 995085742 /nfs/dbraw/zinc/08/57/42/995085742.db2.gz NIFVJYRILVXIHY-KRWDZBQOSA-N 1 0 411.502 3.796 20 5 HHBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000482149930 995102163 /nfs/dbraw/zinc/10/21/63/995102163.db2.gz NZKDMEKLEDNBBF-FQEVSTJZSA-N 1 0 409.490 3.891 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+]CC2(N3CCSCC3)CCCCC2)cccc1[N+](=O)[O-] ZINC000482166653 995123850 /nfs/dbraw/zinc/12/38/50/995123850.db2.gz FNYXCACGYSIRNM-KRWDZBQOSA-N 1 0 420.579 3.572 20 5 HHBDRO COc1cc(C(=O)N(C)CC[NH+](C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000474258320 995257001 /nfs/dbraw/zinc/25/70/01/995257001.db2.gz PFEPSCCWFIICGR-UHFFFAOYSA-N 1 0 407.854 3.683 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1SC ZINC000482557964 995565160 /nfs/dbraw/zinc/56/51/60/995565160.db2.gz YURGRPNGSXMVCE-CQSZACIVSA-N 1 0 415.515 3.502 20 5 HHBDRO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000482681545 995674390 /nfs/dbraw/zinc/67/43/90/995674390.db2.gz ITTCLIIGUVBEMT-UHFFFAOYSA-N 1 0 421.501 3.988 20 5 HHBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC(C(F)(F)F)CC1 ZINC000474927198 995805704 /nfs/dbraw/zinc/80/57/04/995805704.db2.gz JQDNVDVPOSGGSU-HSBZDZAISA-N 1 0 408.442 3.715 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000482963101 995884616 /nfs/dbraw/zinc/88/46/16/995884616.db2.gz RCXPYYBZOLRZMV-LBPRGKRZSA-N 1 0 407.268 3.740 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475205559 995996030 /nfs/dbraw/zinc/99/60/30/995996030.db2.gz JNTXMFDWSSSSBW-UHFFFAOYSA-N 1 0 411.384 3.604 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1SC ZINC000483470791 996200847 /nfs/dbraw/zinc/20/08/47/996200847.db2.gz PFRJYCBRBLSAIE-ZBFHGGJFSA-N 1 0 415.515 3.891 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000475559141 996218358 /nfs/dbraw/zinc/21/83/58/996218358.db2.gz NHXBYNXILZEVIM-UHFFFAOYSA-N 1 0 411.506 3.545 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000483526166 996233274 /nfs/dbraw/zinc/23/32/74/996233274.db2.gz OVFNJLBPJXCDOO-UHFFFAOYSA-N 1 0 423.473 3.753 20 5 HHBDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C[C@]2(CCOC2)O1 ZINC000475617828 996252030 /nfs/dbraw/zinc/25/20/30/996252030.db2.gz MWVVJSVJURHNHQ-VFNWGFHPSA-N 1 0 402.447 3.633 20 5 HHBDRO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000475618218 996252193 /nfs/dbraw/zinc/25/21/93/996252193.db2.gz AGFGWCDWOJGTKR-UHFFFAOYSA-N 1 0 402.447 3.647 20 5 HHBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H](C)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000475688435 996301402 /nfs/dbraw/zinc/30/14/02/996301402.db2.gz FQQPLISXQVRJMY-CQSZACIVSA-N 1 0 406.866 3.863 20 5 HHBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000483776098 996379887 /nfs/dbraw/zinc/37/98/87/996379887.db2.gz RZOFEKJZIILFCM-UHFFFAOYSA-N 1 0 419.428 3.633 20 5 HHBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000484013555 996521709 /nfs/dbraw/zinc/52/17/09/996521709.db2.gz VTZYTDXZVQIPPR-UHFFFAOYSA-N 1 0 416.522 3.555 20 5 HHBDRO CCOc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000476794893 997344529 /nfs/dbraw/zinc/34/45/29/997344529.db2.gz NRCMIAHGRWUWNA-GOEBONIOSA-N 1 0 408.499 3.586 20 5 HHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)nc1-c1ccc(F)cc1 ZINC000485419322 997854303 /nfs/dbraw/zinc/85/43/03/997854303.db2.gz XYEJWAXDTJWHSJ-UYAOXDASSA-N 1 0 414.481 3.976 20 5 HHBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000485496636 997951382 /nfs/dbraw/zinc/95/13/82/997951382.db2.gz XHCWJMDTFUFGNI-UHFFFAOYSA-N 1 0 409.552 3.527 20 5 HHBDRO COc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)[NH+]2CCCCC2)cc1 ZINC000477475986 998196353 /nfs/dbraw/zinc/19/63/53/998196353.db2.gz DGMUQLPCZXOCDR-NRFANRHFSA-N 1 0 415.465 3.628 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000485815569 998283286 /nfs/dbraw/zinc/28/32/86/998283286.db2.gz CQWBBFCDFHMDPG-RYUDHWBXSA-N 1 0 400.460 3.891 20 5 HHBDRO Cc1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC000477569633 998288103 /nfs/dbraw/zinc/28/81/03/998288103.db2.gz GYLKGMLWTGJQIM-UHFFFAOYSA-N 1 0 420.897 3.861 20 5 HHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000477607407 998324503 /nfs/dbraw/zinc/32/45/03/998324503.db2.gz ARGJIEBDYLLAQF-HUUCEWRRSA-N 1 0 409.914 3.518 20 5 HHBDRO COC(=O)c1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(C)c([N+](=O)[O-])c1 ZINC000485954165 998396839 /nfs/dbraw/zinc/39/68/39/998396839.db2.gz HJVSEFDKRWSNDP-UHFFFAOYSA-N 1 0 411.458 3.928 20 5 HHBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000477973972 998692269 /nfs/dbraw/zinc/69/22/69/998692269.db2.gz ZREBFIOFXURXEL-UHFFFAOYSA-N 1 0 414.428 3.549 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478057962 998741049 /nfs/dbraw/zinc/74/10/49/998741049.db2.gz YKVSZSYAIZOWPE-SFHVURJKSA-N 1 0 402.539 3.818 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000486471273 998784809 /nfs/dbraw/zinc/78/48/09/998784809.db2.gz JFMAQYCZIFXMJE-ZDUSSCGKSA-N 1 0 422.407 3.964 20 5 HHBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)cc2)C1 ZINC000486520392 998805194 /nfs/dbraw/zinc/80/51/94/998805194.db2.gz PKFJFVYUWMWCIR-CQSZACIVSA-N 1 0 419.428 3.775 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC(n2ccnc2)CC1 ZINC000486698863 998897893 /nfs/dbraw/zinc/89/78/93/998897893.db2.gz JHJNDWHQCWGQDJ-UHFFFAOYSA-N 1 0 405.458 3.881 20 5 HHBDRO COc1ccc(-c2ccc(CNc3ccn(C4CC[NH+](C)CC4)n3)o2)c([N+](=O)[O-])c1 ZINC000486796314 998943751 /nfs/dbraw/zinc/94/37/51/998943751.db2.gz UCJPJUACXAVGHQ-UHFFFAOYSA-N 1 0 411.462 3.939 20 5 HHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000486833938 998962923 /nfs/dbraw/zinc/96/29/23/998962923.db2.gz LTIDTJCVASFHMM-VTJXTGGHSA-N 1 0 406.446 3.550 20 5 HHBDRO C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487341618 999140733 /nfs/dbraw/zinc/14/07/33/999140733.db2.gz DPSPTGOXXHLUDF-RXVVDRJESA-N 1 0 422.529 3.835 20 5 HHBDRO CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCc3c[nH+]ccc32)c([N+](=O)[O-])c1 ZINC000487783168 999287847 /nfs/dbraw/zinc/28/78/47/999287847.db2.gz LIGXIZZBCLMCQK-UHFFFAOYSA-N 1 0 424.482 3.899 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000488011131 999347656 /nfs/dbraw/zinc/34/76/56/999347656.db2.gz XSWVJGCQTFSUJC-HKUYNNGSSA-N 1 0 402.882 3.535 20 5 HHBDRO C[C@H]([NH2+]C1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000488072544 999367260 /nfs/dbraw/zinc/36/72/60/999367260.db2.gz VJLJMGNZLWPNMA-KRWDZBQOSA-N 1 0 406.486 3.877 20 5 HHBDRO Cc1c(CNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000479675038 999531933 /nfs/dbraw/zinc/53/19/33/999531933.db2.gz GSJVGAJBNXGLGK-IAGOWNOFSA-N 1 0 410.518 3.859 20 5 HHBDRO COc1cccc([C@@H]2[C@H](NC(=O)NCc3cccc([N+](=O)[O-])c3C)CC[N@@H+]2C2CC2)c1 ZINC000479751540 999571728 /nfs/dbraw/zinc/57/17/28/999571728.db2.gz TXSSWLAKZFZZMJ-IFMALSPDSA-N 1 0 424.501 3.689 20 5 HHBDRO C[NH+](C)C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488904722 999642264 /nfs/dbraw/zinc/64/22/64/999642264.db2.gz CJEQWJCHVJUNLN-OAHLLOKOSA-N 1 0 411.886 3.899 20 5 HHBDRO Cc1ccc(NS(=O)(=O)c2ccc(NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000489021718 999674546 /nfs/dbraw/zinc/67/45/46/999674546.db2.gz YWRNHEYICNUDGV-HNNXBMFYSA-N 1 0 420.535 3.622 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000480065406 999707018 /nfs/dbraw/zinc/70/70/18/999707018.db2.gz XUCOUTQYCBUFRY-UHFFFAOYSA-N 1 0 400.479 3.946 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000480206790 999745144 /nfs/dbraw/zinc/74/51/44/999745144.db2.gz ATHBAYLJEKDAMD-GOSISDBHSA-N 1 0 408.462 3.531 20 5 HHBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489652465 999810445 /nfs/dbraw/zinc/81/04/45/999810445.db2.gz WJBVEZLOIMTMRC-UHFFFAOYSA-N 1 0 418.563 3.630 20 5 HHBDRO COC(=O)c1cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)c([N+](=O)[O-])c1 ZINC000489759590 999832475 /nfs/dbraw/zinc/83/24/75/999832475.db2.gz YBMUAAXSRJXXQP-KRWDZBQOSA-N 1 0 411.458 3.541 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000480591392 999835207 /nfs/dbraw/zinc/83/52/07/999835207.db2.gz SMIWCJJZQFGHDN-UHFFFAOYSA-N 1 0 403.523 3.886 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480662070 999853658 /nfs/dbraw/zinc/85/36/58/999853658.db2.gz LPCBRRSKLNBXNA-QKKBWIMNSA-N 1 0 411.437 3.564 20 5 HHBDRO O=C(NCCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000490141160 999899235 /nfs/dbraw/zinc/89/92/35/999899235.db2.gz AIJHIEJYOWODFA-QFIPXVFZSA-N 1 0 405.454 3.800 20 5 HHBDRO O=[N+]([O-])c1cccc([C@@H](NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccccc2)c1 ZINC000490191433 999908194 /nfs/dbraw/zinc/90/81/94/999908194.db2.gz SKTFCXIIJJBZCN-RPBOFIJWSA-N 1 0 417.509 3.693 20 5 HHBDRO COc1cc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490353180 999943093 /nfs/dbraw/zinc/94/30/93/999943093.db2.gz DFOAJLFAOIXMOD-HNNXBMFYSA-N 1 0 401.454 3.554 20 5 HHBDRO CC[N@H+](Cc1ccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1)C1CC1 ZINC000490374547 999947133 /nfs/dbraw/zinc/94/71/33/999947133.db2.gz YVJGTEXNTNLFCP-UHFFFAOYSA-N 1 0 406.446 3.617 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000490405104 999952496 /nfs/dbraw/zinc/95/24/96/999952496.db2.gz VPAGBSGLVHUUDE-WMLDXEAASA-N 1 0 407.312 3.945 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491059169 1000040694 /nfs/dbraw/zinc/04/06/94/1000040694.db2.gz JSTIEHKKADECAB-QGZVFWFLSA-N 1 0 421.444 3.611 20 5 HHBDRO COc1ccc(OCC[NH+]2CCC3(CC2)OCCc2ccsc23)c([N+](=O)[O-])c1 ZINC000492307360 1000120858 /nfs/dbraw/zinc/12/08/58/1000120858.db2.gz GHXPKMVUGXZSTC-UHFFFAOYSA-N 1 0 404.488 3.608 20 5 HHBDRO CCOc1cc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)ccc1[N+](=O)[O-] ZINC000492506823 1000129653 /nfs/dbraw/zinc/12/96/53/1000129653.db2.gz CXTSBBANCHCNGP-UHFFFAOYSA-N 1 0 418.881 3.893 20 5 HHBDRO CCOc1cc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)ccc1[N+](=O)[O-] ZINC000492693889 1000139057 /nfs/dbraw/zinc/13/90/57/1000139057.db2.gz ADMMYGJTZAHRCU-UHFFFAOYSA-N 1 0 409.446 3.818 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c([N+](=O)[O-])cc1OCC(F)F ZINC000493768800 1000191595 /nfs/dbraw/zinc/19/15/95/1000191595.db2.gz YPRLNOCMCKSACD-MRUHUIDDSA-N 1 0 404.413 3.923 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)cc1OC ZINC000494029389 1000275838 /nfs/dbraw/zinc/27/58/38/1000275838.db2.gz VYMXOJHELNEUGP-UHFFFAOYSA-N 1 0 407.511 3.729 20 5 HHBDRO CCOc1cc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000494258059 1000394006 /nfs/dbraw/zinc/39/40/06/1000394006.db2.gz XBSQGJCSDRHFTN-OXQOHEQNSA-N 1 0 403.866 3.709 20 5 HHBDRO CCOc1cc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000494258058 1000394220 /nfs/dbraw/zinc/39/42/20/1000394220.db2.gz XBSQGJCSDRHFTN-OXJNMPFZSA-N 1 0 403.866 3.709 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000504912569 1000444434 /nfs/dbraw/zinc/44/44/34/1000444434.db2.gz XTIKOHUAZZXVAT-MRXNPFEDSA-N 1 0 403.504 3.953 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504919954 1000448882 /nfs/dbraw/zinc/44/88/82/1000448882.db2.gz LXUWUBGKOWZQMV-KKSFZXQISA-N 1 0 417.481 3.857 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494474348 1000511894 /nfs/dbraw/zinc/51/18/94/1000511894.db2.gz MHLPEOFOBPOFFS-IEBWSBKVSA-N 1 0 407.829 3.754 20 5 HHBDRO O=C(CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000494511785 1000533094 /nfs/dbraw/zinc/53/30/94/1000533094.db2.gz QLHQFNBCFIRYIM-APWZRJJASA-N 1 0 407.829 3.836 20 5 HHBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)c2C1 ZINC000494519166 1000535811 /nfs/dbraw/zinc/53/58/11/1000535811.db2.gz JZCNBNPGSDEMLW-UHFFFAOYSA-N 1 0 411.458 3.519 20 5 HHBDRO COc1cc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000494587720 1000565970 /nfs/dbraw/zinc/56/59/70/1000565970.db2.gz SXCKHRHJCYZURX-UHFFFAOYSA-N 1 0 419.444 3.943 20 5 HHBDRO COc1cc(CNCC[NH+]2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000494647879 1000587144 /nfs/dbraw/zinc/58/71/44/1000587144.db2.gz LNCALUFBLIGQFH-ZIAGYGMSSA-N 1 0 401.454 3.600 20 5 HHBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000494647327 1000587200 /nfs/dbraw/zinc/58/72/00/1000587200.db2.gz KHDKNRHLFDVEEU-UHFFFAOYSA-N 1 0 420.473 3.539 20 5 HHBDRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494663658 1000594005 /nfs/dbraw/zinc/59/40/05/1000594005.db2.gz WKOFRUQXLDPYCV-CQSZACIVSA-N 1 0 423.922 3.981 20 5 HHBDRO C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000494705242 1000612999 /nfs/dbraw/zinc/61/29/99/1000612999.db2.gz ACUNPOHATCZYQC-CHWSQXEVSA-N 1 0 402.417 3.533 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505270314 1000659944 /nfs/dbraw/zinc/65/99/44/1000659944.db2.gz HJIIVMYLYFHFFR-UHFFFAOYSA-N 1 0 402.539 3.902 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000495132709 1000872177 /nfs/dbraw/zinc/87/21/77/1000872177.db2.gz ZOOAYVPECICXBL-NQIIRXRSSA-N 1 0 409.486 3.730 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N(C)CC3CC[NH+](C)CC3)cc2[N+](=O)[O-])n1 ZINC000505755121 1001007666 /nfs/dbraw/zinc/00/76/66/1001007666.db2.gz CHDQLEUKSWHBRB-UHFFFAOYSA-N 1 0 420.560 3.925 20 5 HHBDRO COc1cc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])ccc1S(C)(=O)=O ZINC000495439601 1001012658 /nfs/dbraw/zinc/01/26/58/1001012658.db2.gz MLRDEIGUAUBDKL-LBPRGKRZSA-N 1 0 412.895 3.554 20 5 HHBDRO Cc1ccc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1[N+](=O)[O-] ZINC000505788380 1001024384 /nfs/dbraw/zinc/02/43/84/1001024384.db2.gz HKNOKEPBNQWFKJ-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO O=[N+]([O-])c1ccc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c(Br)c1 ZINC000497134378 1001273370 /nfs/dbraw/zinc/27/33/70/1001273370.db2.gz WBRJYBVEVLGGHW-SNVBAGLBSA-N 1 0 424.324 3.902 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000506232996 1001295512 /nfs/dbraw/zinc/29/55/12/1001295512.db2.gz NHBQVYGPRHVDFK-CABCVRRESA-N 1 0 415.943 3.523 20 5 HHBDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000497423121 1001355802 /nfs/dbraw/zinc/35/58/02/1001355802.db2.gz XWFULCRSCOCNMV-INIZCTEOSA-N 1 0 414.506 3.667 20 5 HHBDRO C[N@@H+]1C[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](c2ccccc2)C1 ZINC000497427871 1001358924 /nfs/dbraw/zinc/35/89/24/1001358924.db2.gz HDWMCYUQNPEDNK-QZTJIDSGSA-N 1 0 408.483 3.546 20 5 HHBDRO C[C@H]1C[C@@H](CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000497539235 1001426199 /nfs/dbraw/zinc/42/61/99/1001426199.db2.gz BGPQMYGYROAFSD-FUHWJXTLSA-N 1 0 417.531 3.711 20 5 HHBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(OC)c1 ZINC000506601950 1001468387 /nfs/dbraw/zinc/46/83/87/1001468387.db2.gz NLEFZXMMZKWELL-HOCLYGCPSA-N 1 0 401.463 3.988 20 5 HHBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(OC)c1 ZINC000506601951 1001468531 /nfs/dbraw/zinc/46/85/31/1001468531.db2.gz NLEFZXMMZKWELL-ZBFHGGJFSA-N 1 0 401.463 3.988 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000497801339 1001518256 /nfs/dbraw/zinc/51/82/56/1001518256.db2.gz YVFHXPWRKBBASC-OAHLLOKOSA-N 1 0 403.385 3.821 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000497984092 1001590816 /nfs/dbraw/zinc/59/08/16/1001590816.db2.gz OAUWWKFJVODACY-YLJYHZDGSA-N 1 0 417.531 3.749 20 5 HHBDRO CC(C)CCSc1ccc(C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000498325386 1001777765 /nfs/dbraw/zinc/77/77/65/1001777765.db2.gz QOPATKDUONRVBM-UHFFFAOYSA-N 1 0 423.579 3.916 20 5 HHBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000507163949 1001851900 /nfs/dbraw/zinc/85/19/00/1001851900.db2.gz USIYZNINQZGMTB-UHFFFAOYSA-N 1 0 406.486 3.857 20 5 HHBDRO C[NH+](C)CCOc1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000498528930 1001949880 /nfs/dbraw/zinc/94/98/80/1001949880.db2.gz XFCUFSZVBSIBLZ-UHFFFAOYSA-N 1 0 412.471 3.911 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000507318276 1001998015 /nfs/dbraw/zinc/99/80/15/1001998015.db2.gz YVHWGXDWVPZPAX-SFHVURJKSA-N 1 0 421.563 3.814 20 5 HHBDRO Cc1ccc(S(=O)(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c([N+](=O)[O-])c1 ZINC000507446232 1002076181 /nfs/dbraw/zinc/07/61/81/1002076181.db2.gz DQWOHMSYNJPZTM-QGZVFWFLSA-N 1 0 417.531 3.756 20 5 HHBDRO Cn1cc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507713483 1002304067 /nfs/dbraw/zinc/30/40/67/1002304067.db2.gz JQXRNHRNXBWFIM-UHFFFAOYSA-N 1 0 400.870 3.682 20 5 HHBDRO COc1cc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508101583 1002626495 /nfs/dbraw/zinc/62/64/95/1002626495.db2.gz JTGQAIRJVFJOOY-LEWJYISDSA-N 1 0 411.502 3.899 20 5 HHBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000508197923 1002732254 /nfs/dbraw/zinc/73/22/54/1002732254.db2.gz MHIJZTCNNPTMHV-UHFFFAOYSA-N 1 0 402.539 3.779 20 5 HHBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000508206391 1002739559 /nfs/dbraw/zinc/73/95/59/1002739559.db2.gz ONKFIJBDFGGLQQ-UHFFFAOYSA-N 1 0 413.468 3.908 20 5 HHBDRO CCC[NH+]1CCC(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000500233919 1003571107 /nfs/dbraw/zinc/57/11/07/1003571107.db2.gz ISXGENTWBWWPCE-QZTJIDSGSA-N 1 0 416.566 3.929 20 5 HHBDRO C[C@@]1(C[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCOC1 ZINC000500290180 1003602601 /nfs/dbraw/zinc/60/26/01/1003602601.db2.gz MUUCRBAFGXZKNF-ICSRJNTNSA-N 1 0 403.866 3.944 20 5 HHBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000500410708 1003699526 /nfs/dbraw/zinc/69/95/26/1003699526.db2.gz PVUJHXBVXCYYTJ-JOCHJYFZSA-N 1 0 422.485 3.581 20 5 HHBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccco1 ZINC000509596939 1003970478 /nfs/dbraw/zinc/97/04/78/1003970478.db2.gz WEVOIYHQLADQSJ-KXBFYZLASA-N 1 0 400.479 3.991 20 5 HHBDRO C[C@@H]1CN([C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])c2c(F)cccc2Cl)CCO1 ZINC000509610599 1003977450 /nfs/dbraw/zinc/97/74/50/1003977450.db2.gz WLDXDZQKSWQFEM-AUUYWEPGSA-N 1 0 407.873 3.939 20 5 HHBDRO CC(C)c1ccc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000512067413 1003996844 /nfs/dbraw/zinc/99/68/44/1003996844.db2.gz KZRONWQJDCEDTA-UHFFFAOYSA-N 1 0 403.445 3.805 20 5 HHBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000512078109 1004005130 /nfs/dbraw/zinc/00/51/30/1004005130.db2.gz RUBZCIZYROIXSP-KZNAEPCWSA-N 1 0 402.539 3.539 20 5 HHBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000509685236 1004029096 /nfs/dbraw/zinc/02/90/96/1004029096.db2.gz XGMDFEOTMCNOGK-LBPRGKRZSA-N 1 0 400.317 3.906 20 5 HHBDRO C[C@H]1C[NH+](CC2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)C[C@H](C)O1 ZINC000512181805 1004084614 /nfs/dbraw/zinc/08/46/14/1004084614.db2.gz QHYRUQYYWFSQRG-GJZGRUSLSA-N 1 0 413.465 3.517 20 5 HHBDRO O=C(CC[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000501007167 1004112549 /nfs/dbraw/zinc/11/25/49/1004112549.db2.gz LTPSGGZNMVLNJJ-UHFFFAOYSA-N 1 0 412.273 3.725 20 5 HHBDRO COc1cc(C[NH2+]C(C)(C)COc2ncccc2Br)ccc1[N+](=O)[O-] ZINC000501045447 1004147328 /nfs/dbraw/zinc/14/73/28/1004147328.db2.gz MMLMAVDMPYOWLK-UHFFFAOYSA-N 1 0 410.268 3.708 20 5 HHBDRO CC[C@@H](NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000501071819 1004174783 /nfs/dbraw/zinc/17/47/83/1004174783.db2.gz VLOLJTGYROMTHQ-OAQYLSRUSA-N 1 0 411.506 3.999 20 5 HHBDRO Cc1ccc([C@H](C)NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000501072872 1004175729 /nfs/dbraw/zinc/17/57/29/1004175729.db2.gz JVOHPHRCPQMJOO-KRWDZBQOSA-N 1 0 411.506 3.917 20 5 HHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512292894 1004195970 /nfs/dbraw/zinc/19/59/70/1004195970.db2.gz QXICYIGTYXEGGE-WZONZLPQSA-N 1 0 408.502 3.520 20 5 HHBDRO COc1cc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000512485877 1004336724 /nfs/dbraw/zinc/33/67/24/1004336724.db2.gz JGNSPPAZUMQLFB-ZFWWWQNUSA-N 1 0 402.438 3.763 20 5 HHBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000510181231 1004379248 /nfs/dbraw/zinc/37/92/48/1004379248.db2.gz BBCFIKRLSLCZLL-CQSZACIVSA-N 1 0 407.854 3.945 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000510233500 1004413128 /nfs/dbraw/zinc/41/31/28/1004413128.db2.gz LXLDLOVLZFSIFD-UHFFFAOYSA-N 1 0 410.518 3.828 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)c3ccc([N+](=O)[O-])s3)cc2)C1 ZINC000512769854 1004549443 /nfs/dbraw/zinc/54/94/43/1004549443.db2.gz BAERQUMRCPDVEN-HUUCEWRRSA-N 1 0 423.560 3.613 20 5 HHBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000510542755 1004675329 /nfs/dbraw/zinc/67/53/29/1004675329.db2.gz BWYHLZLSOQVBHO-SZNDQCEHSA-N 1 0 408.458 3.578 20 5 HHBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000512958291 1004727851 /nfs/dbraw/zinc/72/78/51/1004727851.db2.gz FGBJGUIXBADOLW-RHSMWYFYSA-N 1 0 421.906 3.553 20 5 HHBDRO CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1C ZINC000510611895 1004753376 /nfs/dbraw/zinc/75/33/76/1004753376.db2.gz BLPRXTJZLFSTOU-HNNXBMFYSA-N 1 0 400.479 3.983 20 5 HHBDRO C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501850509 1004775374 /nfs/dbraw/zinc/77/53/74/1004775374.db2.gz LDWKBDTZZGVGJQ-KRWDZBQOSA-N 1 0 419.485 3.682 20 5 HHBDRO COc1cc(C[NH2+][C@H](C)c2ccc3n[nH]cc3c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000513188330 1004851970 /nfs/dbraw/zinc/85/19/70/1004851970.db2.gz OGACPPAZFITRDH-LLVKDONJSA-N 1 0 406.389 3.974 20 5 HHBDRO C[C@@H]1[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000502158878 1004929750 /nfs/dbraw/zinc/92/97/50/1004929750.db2.gz QTYMWHIAJFHYBG-KUHUBIRLSA-N 1 0 402.882 3.710 20 5 HHBDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000511120068 1005028092 /nfs/dbraw/zinc/02/80/92/1005028092.db2.gz ARRNAYKAYJSFBV-UHFFFAOYSA-N 1 0 410.518 3.789 20 5 HHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000511121638 1005029180 /nfs/dbraw/zinc/02/91/80/1005029180.db2.gz LJKXBHHZVOMIMH-FQEVSTJZSA-N 1 0 403.429 3.539 20 5 HHBDRO Cc1sc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000511185344 1005064859 /nfs/dbraw/zinc/06/48/59/1005064859.db2.gz JKKZUJIOEMILHZ-QGZVFWFLSA-N 1 0 423.560 3.544 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511226715 1005081433 /nfs/dbraw/zinc/08/14/33/1005081433.db2.gz CRUGDUUUWXKIHG-CVEARBPZSA-N 1 0 421.563 3.716 20 5 HHBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000502625277 1005146993 /nfs/dbraw/zinc/14/69/93/1005146993.db2.gz JHNPKOFNZPKKKQ-UHFFFAOYSA-N 1 0 402.539 3.681 20 5 HHBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCCc4c([N+](=O)[O-])cccc43)cc2)CC1 ZINC000513836047 1005152385 /nfs/dbraw/zinc/15/23/85/1005152385.db2.gz ZISURCLBYQFOKE-UHFFFAOYSA-N 1 0 408.502 3.718 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000513891365 1005175394 /nfs/dbraw/zinc/17/53/94/1005175394.db2.gz FSAQKTBJCONHSP-GOSISDBHSA-N 1 0 417.428 3.669 20 5 HHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000513911619 1005184417 /nfs/dbraw/zinc/18/44/17/1005184417.db2.gz RMAMKDFGHHXXFU-LJQANCHMSA-N 1 0 407.474 3.502 20 5 HHBDRO CCC[N@H+](CC(=O)N(C)C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000511471064 1005190304 /nfs/dbraw/zinc/19/03/04/1005190304.db2.gz HTNCEBDEHDPCNA-UHFFFAOYSA-N 1 0 421.501 3.748 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000511528267 1005211700 /nfs/dbraw/zinc/21/17/00/1005211700.db2.gz DSUNRKXHEDGRTR-NQIIRXRSSA-N 1 0 410.518 3.832 20 5 HHBDRO CCOc1cc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000511602374 1005240955 /nfs/dbraw/zinc/24/09/55/1005240955.db2.gz ANZYTPOCHBTCFP-SFHVURJKSA-N 1 0 409.280 3.753 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000502875858 1005254108 /nfs/dbraw/zinc/25/41/08/1005254108.db2.gz NLDYRURGENREBV-NRFANRHFSA-N 1 0 401.438 3.811 20 5 HHBDRO Cn1ccnc1[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000514091469 1005261147 /nfs/dbraw/zinc/26/11/47/1005261147.db2.gz YZXXXXKMSVTRSJ-OAQYLSRUSA-N 1 0 406.486 3.756 20 5 HHBDRO CC[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000514096820 1005264142 /nfs/dbraw/zinc/26/41/42/1005264142.db2.gz XYTPHRYFMWXXAX-GGAORHGYSA-N 1 0 419.529 3.844 20 5 HHBDRO CC(C)[C@@H](C)NC(=O)C1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000502912723 1005271655 /nfs/dbraw/zinc/27/16/55/1005271655.db2.gz SMERLUYNXFQDDO-HUUCEWRRSA-N 1 0 415.494 3.579 20 5 HHBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000514161362 1005294646 /nfs/dbraw/zinc/29/46/46/1005294646.db2.gz ZLYWIGGSMQEQHZ-UHFFFAOYSA-N 1 0 407.474 3.633 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514184903 1005302640 /nfs/dbraw/zinc/30/26/40/1005302640.db2.gz AAMGOLLETQMPKL-HNNXBMFYSA-N 1 0 419.428 3.933 20 5 HHBDRO Cc1cc(OCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000511756595 1005309249 /nfs/dbraw/zinc/30/92/49/1005309249.db2.gz NHQDXAYQNDZROA-NRFANRHFSA-N 1 0 411.502 3.699 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCC1 ZINC000503033255 1005321868 /nfs/dbraw/zinc/32/18/68/1005321868.db2.gz ZNKFRJRJBLEHBT-HXUWFJFHSA-N 1 0 408.458 3.652 20 5 HHBDRO CCCN(CC[NH+]1CCCC1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000503541079 1005447596 /nfs/dbraw/zinc/44/75/96/1005447596.db2.gz DAURGCWUFJCLNI-UHFFFAOYSA-N 1 0 402.417 3.631 20 5 HHBDRO O=C(C[N@H+](C1CC1)[C@H]1CCCc2ccccc21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000503569619 1005455230 /nfs/dbraw/zinc/45/52/30/1005455230.db2.gz UYEGLJZFZALKMS-SFHVURJKSA-N 1 0 409.442 3.804 20 5 HHBDRO CCCOc1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])cc1OCCC ZINC000503698126 1005482590 /nfs/dbraw/zinc/48/25/90/1005482590.db2.gz HQSRMLQFLDYVJY-RDJZCZTQSA-N 1 0 420.510 3.921 20 5 HHBDRO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000503914391 1005511324 /nfs/dbraw/zinc/51/13/24/1005511324.db2.gz XVCZALSKDPXPIO-OAHLLOKOSA-N 1 0 406.504 3.532 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000534017315 1005987707 /nfs/dbraw/zinc/98/77/07/1005987707.db2.gz GDBAIKDHHWACQI-CRFBAAHOSA-N 1 0 403.866 3.577 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1c1ccccc1 ZINC000534020903 1005992433 /nfs/dbraw/zinc/99/24/33/1005992433.db2.gz YGHRQIWZLFVPFN-PKOBYXMFSA-N 1 0 408.483 3.894 20 5 HHBDRO COc1ccccc1C[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000531129764 1006007882 /nfs/dbraw/zinc/00/78/82/1006007882.db2.gz LDLPQYGSRZVLRE-CRAIPNDOSA-N 1 0 415.490 3.796 20 5 HHBDRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000531205175 1006045895 /nfs/dbraw/zinc/04/58/95/1006045895.db2.gz PVQAZIVZRMRKDV-CABCVRRESA-N 1 0 403.454 3.749 20 5 HHBDRO COCCC[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000514642534 1006068776 /nfs/dbraw/zinc/06/87/76/1006068776.db2.gz KWSXNFVAAWQUDT-KRWDZBQOSA-N 1 0 422.279 3.663 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](C[C@@H]3CCCO3)[C@H]3CCSC3)o2)c1 ZINC000534102058 1006074838 /nfs/dbraw/zinc/07/48/38/1006074838.db2.gz QKRPKKOXYJNYBK-ROUUACIJSA-N 1 0 403.504 3.779 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+][C@@H]3CCCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 ZINC000531257010 1006075633 /nfs/dbraw/zinc/07/56/33/1006075633.db2.gz JRXSENAHVNIWLV-MRXNPFEDSA-N 1 0 406.529 3.721 20 5 HHBDRO COc1ccc(C[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000534172914 1006156929 /nfs/dbraw/zinc/15/69/29/1006156929.db2.gz HOKVSWHGKGOQRU-HOTGVXAUSA-N 1 0 415.490 3.750 20 5 HHBDRO COCC[N@H+](C)CC[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccccc1 ZINC000534248105 1006254914 /nfs/dbraw/zinc/25/49/14/1006254914.db2.gz OAVZXBRKSZPHOB-SFHVURJKSA-N 1 0 410.474 3.516 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCO[C@H]2CCOC2)cc1 ZINC000531535575 1006261149 /nfs/dbraw/zinc/26/11/49/1006261149.db2.gz FTQPSSUKZZUEOD-QFIPXVFZSA-N 1 0 422.485 3.733 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534257418 1006266333 /nfs/dbraw/zinc/26/63/33/1006266333.db2.gz QGUAUKVVAUTPFX-HOTGVXAUSA-N 1 0 406.486 3.963 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534257397 1006266439 /nfs/dbraw/zinc/26/64/39/1006266439.db2.gz QLKSWXDJIIHEHV-UHFFFAOYSA-N 1 0 408.458 3.533 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000534329305 1006302048 /nfs/dbraw/zinc/30/20/48/1006302048.db2.gz XWODQJKXNKGIQQ-BSRJHKFKSA-N 1 0 413.518 3.934 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@]3(CCO)CCOC3)cc2[N+](=O)[O-])cc1 ZINC000531630667 1006316911 /nfs/dbraw/zinc/31/69/11/1006316911.db2.gz GOTAQGPCASHUAB-OAQYLSRUSA-N 1 0 402.516 3.933 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000531696398 1006360780 /nfs/dbraw/zinc/36/07/80/1006360780.db2.gz FGUVNFLSEAYVEN-MRXNPFEDSA-N 1 0 405.520 3.582 20 5 HHBDRO Cc1ccc([C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000531705821 1006367513 /nfs/dbraw/zinc/36/75/13/1006367513.db2.gz CQGDTMDEDQOXHL-DNVCBOLYSA-N 1 0 400.479 3.640 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]CC2CCS(=O)(=O)CC2)ccc1Oc1ccccc1Cl ZINC000534452801 1006434949 /nfs/dbraw/zinc/43/49/49/1006434949.db2.gz PEASNEUDYLKRGM-UHFFFAOYSA-N 1 0 424.906 3.955 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531811183 1006444049 /nfs/dbraw/zinc/44/40/49/1006444049.db2.gz NVKKNGCQXZYTOX-HRAATJIYSA-N 1 0 411.502 3.755 20 5 HHBDRO CCC(=O)N1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000531884538 1006497652 /nfs/dbraw/zinc/49/76/52/1006497652.db2.gz LMIQIDNBOGPIIT-IBGZPJMESA-N 1 0 419.485 3.548 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000534520452 1006516467 /nfs/dbraw/zinc/51/64/67/1006516467.db2.gz POYRPWKQIHFGFL-OAQYLSRUSA-N 1 0 424.545 3.734 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000534520526 1006516608 /nfs/dbraw/zinc/51/66/08/1006516608.db2.gz DGCCJGDIMQLCHK-NQIIRXRSSA-N 1 0 424.545 3.734 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[NH+]2CCCC2)cc1 ZINC000534648074 1006626883 /nfs/dbraw/zinc/62/68/83/1006626883.db2.gz DDFRGUXGUCRKJI-JOCHJYFZSA-N 1 0 422.485 3.581 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@@H](COc2ccccc2F)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000538392056 1006661460 /nfs/dbraw/zinc/66/14/60/1006661460.db2.gz IRZKJMKNFOZZDE-IBGZPJMESA-N 1 0 419.453 3.764 20 5 HHBDRO CC[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000532206958 1006721063 /nfs/dbraw/zinc/72/10/63/1006721063.db2.gz ONJCEGJPRADQAC-HXUWFJFHSA-N 1 0 405.520 3.664 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H]([NH2+]CCCF)c1ccccc1 ZINC000532262164 1006755469 /nfs/dbraw/zinc/75/54/69/1006755469.db2.gz SDYYPYDDMGUZFI-MRXNPFEDSA-N 1 0 410.243 3.986 20 5 HHBDRO O=C1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1c1c(F)cccc1F ZINC000538548612 1006813014 /nfs/dbraw/zinc/81/30/14/1006813014.db2.gz QCYDPTLWZKDXSH-QAPCUYQASA-N 1 0 401.413 3.589 20 5 HHBDRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000532393507 1006841225 /nfs/dbraw/zinc/84/12/25/1006841225.db2.gz NFOTWSXXLXWBFR-CYBMUJFWSA-N 1 0 412.895 3.953 20 5 HHBDRO O=C(c1ccc([N+](=O)[O-])cn1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000532397471 1006843410 /nfs/dbraw/zinc/84/34/10/1006843410.db2.gz WAGAASSJTQMDLE-INIZCTEOSA-N 1 0 422.407 3.516 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000538613493 1006883551 /nfs/dbraw/zinc/88/35/51/1006883551.db2.gz XFMBIQMIIZNCKH-OAHLLOKOSA-N 1 0 418.412 3.936 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cccc(Br)c1 ZINC000532493262 1006935608 /nfs/dbraw/zinc/93/56/08/1006935608.db2.gz FQIQQDFWPXAUCJ-UHFFFAOYSA-N 1 0 422.279 3.827 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000532576859 1007009301 /nfs/dbraw/zinc/00/93/01/1007009301.db2.gz BXRZMMHSIVJPDC-INIZCTEOSA-N 1 0 401.438 3.636 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534962862 1007012037 /nfs/dbraw/zinc/01/20/37/1007012037.db2.gz OBTLBJMGGPGPRP-BEFAXECRSA-N 1 0 420.872 3.880 20 5 HHBDRO O=C([C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000516337492 1007025638 /nfs/dbraw/zinc/02/56/38/1007025638.db2.gz MOLWHDCLHYGXPL-GOSISDBHSA-N 1 0 401.413 3.641 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534971746 1007028389 /nfs/dbraw/zinc/02/83/89/1007028389.db2.gz PDBCCOKHQOQOEP-DNVCBOLYSA-N 1 0 420.872 3.880 20 5 HHBDRO CCOc1cc(C[N@@H+]2CC[C@H](C3CC3)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000538751328 1007036341 /nfs/dbraw/zinc/03/63/41/1007036341.db2.gz DVLXDISPAKLPLF-IBGZPJMESA-N 1 0 414.506 3.809 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 ZINC000535017597 1007066132 /nfs/dbraw/zinc/06/61/32/1007066132.db2.gz QWNOMZVWCAJINY-HNNXBMFYSA-N 1 0 416.909 3.932 20 5 HHBDRO Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000532655570 1007072764 /nfs/dbraw/zinc/07/27/64/1007072764.db2.gz YVVOMHSTQCFFII-IBGZPJMESA-N 1 0 407.470 3.914 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000538866687 1007144739 /nfs/dbraw/zinc/14/47/39/1007144739.db2.gz ALPZBWCHINZCLN-GXTWGEPZSA-N 1 0 405.401 3.728 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000532739951 1007150094 /nfs/dbraw/zinc/15/00/94/1007150094.db2.gz DAIYPDJPFKOTFX-UHFFFAOYSA-N 1 0 411.458 3.574 20 5 HHBDRO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)[NH+](C)C)cc1OC ZINC000538891838 1007170195 /nfs/dbraw/zinc/17/01/95/1007170195.db2.gz RMNRNOFPMSWVRQ-OAHLLOKOSA-N 1 0 411.405 3.928 20 5 HHBDRO CNC(=O)c1ccc(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000516607037 1007187630 /nfs/dbraw/zinc/18/76/30/1007187630.db2.gz YZAIOCDWQQHQBT-IBGZPJMESA-N 1 0 402.882 3.857 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000539021159 1007318630 /nfs/dbraw/zinc/31/86/30/1007318630.db2.gz UNMCDWKTKODVPC-KRWDZBQOSA-N 1 0 417.531 3.929 20 5 HHBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000539056566 1007351617 /nfs/dbraw/zinc/35/16/17/1007351617.db2.gz PTPVJJOCWFVLGK-UONOGXRCSA-N 1 0 409.280 3.756 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000539072248 1007364173 /nfs/dbraw/zinc/36/41/73/1007364173.db2.gz OSLUBKMCBPDKQZ-AWEZNQCLSA-N 1 0 411.487 3.663 20 5 HHBDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000539119273 1007407681 /nfs/dbraw/zinc/40/76/81/1007407681.db2.gz ACVKMRCMIVJOLS-CABCVRRESA-N 1 0 401.463 3.988 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CC[NH+](CC4CC4)CC3)cc2[N+](=O)[O-])C1 ZINC000517102544 1007413517 /nfs/dbraw/zinc/41/35/17/1007413517.db2.gz NMYBFCXCPVAKSF-CALCHBBNSA-N 1 0 414.550 3.681 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cc1SC ZINC000533145029 1007482517 /nfs/dbraw/zinc/48/25/17/1007482517.db2.gz HLKXDIFTYHUPKG-UHFFFAOYSA-N 1 0 417.531 3.966 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cccnc2)cc1 ZINC000539226118 1007518678 /nfs/dbraw/zinc/51/86/78/1007518678.db2.gz RSICIDLRLOSWDB-QGZVFWFLSA-N 1 0 420.469 3.882 20 5 HHBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1OC(F)F ZINC000539251867 1007544860 /nfs/dbraw/zinc/54/48/60/1007544860.db2.gz CQGXPOACJZWJIS-AWEZNQCLSA-N 1 0 409.389 3.884 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccn2)c1 ZINC000539256621 1007550564 /nfs/dbraw/zinc/55/05/64/1007550564.db2.gz FMBKACUEUFCWTP-QGZVFWFLSA-N 1 0 420.469 3.882 20 5 HHBDRO CC(C)C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000539261521 1007557040 /nfs/dbraw/zinc/55/70/40/1007557040.db2.gz RDIVGDQLBQMCKB-IAGOWNOFSA-N 1 0 400.401 3.548 20 5 HHBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000539280120 1007576056 /nfs/dbraw/zinc/57/60/56/1007576056.db2.gz VNUHSCOYCLPTBR-GOSISDBHSA-N 1 0 406.280 3.650 20 5 HHBDRO CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000533269911 1007585258 /nfs/dbraw/zinc/58/52/58/1007585258.db2.gz BTCSSSLRVHQYHP-RXVVDRJESA-N 1 0 410.518 3.999 20 5 HHBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1Cl ZINC000539288915 1007586325 /nfs/dbraw/zinc/58/63/25/1007586325.db2.gz GCZGJIOXERKKOO-LJQANCHMSA-N 1 0 405.838 3.902 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000533284723 1007596667 /nfs/dbraw/zinc/59/66/67/1007596667.db2.gz YVOAMDJATDYDEZ-YVMONPNESA-N 1 0 408.502 3.563 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000533299988 1007616867 /nfs/dbraw/zinc/61/68/67/1007616867.db2.gz VICMJKNNEMDMCG-ZBFHGGJFSA-N 1 0 401.438 3.949 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000533299986 1007617169 /nfs/dbraw/zinc/61/71/69/1007617169.db2.gz VICMJKNNEMDMCG-GOEBONIOSA-N 1 0 401.438 3.949 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000539333632 1007632928 /nfs/dbraw/zinc/63/29/28/1007632928.db2.gz AOUIOYLFUZZSPZ-LPHOPBHVSA-N 1 0 413.474 3.690 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(-c2ccncc2)cc1 ZINC000539341620 1007642643 /nfs/dbraw/zinc/64/26/43/1007642643.db2.gz CCVRILATLZVNEN-MRXNPFEDSA-N 1 0 402.454 3.897 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1C(F)(F)F ZINC000539344126 1007645799 /nfs/dbraw/zinc/64/57/99/1007645799.db2.gz XFKQFCJOITYTHU-SNVBAGLBSA-N 1 0 411.336 3.632 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000539382672 1007687492 /nfs/dbraw/zinc/68/74/92/1007687492.db2.gz QDOXGPYRDJWTEX-CZUORRHYSA-N 1 0 409.280 3.756 20 5 HHBDRO O=C1[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCN1CC(F)(F)F ZINC000533444308 1007760494 /nfs/dbraw/zinc/76/04/94/1007760494.db2.gz IXWZRGXOLPJHQC-HNNXBMFYSA-N 1 0 413.421 3.966 20 5 HHBDRO C[C@@H]1CN(CC[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCO1 ZINC000517547587 1007762325 /nfs/dbraw/zinc/76/23/25/1007762325.db2.gz FCHVUGZWPFOSAC-OAHLLOKOSA-N 1 0 405.882 3.851 20 5 HHBDRO COc1ccccc1COC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000535792380 1007797607 /nfs/dbraw/zinc/79/76/07/1007797607.db2.gz PFFRUZDQINAAMR-UHFFFAOYSA-N 1 0 413.474 3.613 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000535801460 1007808902 /nfs/dbraw/zinc/80/89/02/1007808902.db2.gz OCARHGUGCPAZKL-JSGCOSHPSA-N 1 0 404.385 3.545 20 5 HHBDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000517623167 1007831309 /nfs/dbraw/zinc/83/13/09/1007831309.db2.gz SBMZLDQMPDGDCH-HXUWFJFHSA-N 1 0 411.506 3.555 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000539525161 1007834043 /nfs/dbraw/zinc/83/40/43/1007834043.db2.gz DXMSDHDVTAOAPW-UHFFFAOYSA-N 1 0 411.502 3.795 20 5 HHBDRO CC(C)(COc1ncccc1Br)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000535824371 1007839475 /nfs/dbraw/zinc/83/94/75/1007839475.db2.gz BSSTUIFGHHOSAK-UHFFFAOYSA-N 1 0 410.268 3.578 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CC2CCS(=O)(=O)CC2)cc1 ZINC000533737598 1008063662 /nfs/dbraw/zinc/06/36/62/1008063662.db2.gz AQPWHLRPMZWDTF-UHFFFAOYSA-N 1 0 424.906 3.955 20 5 HHBDRO CCN(C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)S(C)(=O)=O ZINC000539828613 1008122736 /nfs/dbraw/zinc/12/27/36/1008122736.db2.gz KEOUCPHZYYZLJD-UHFFFAOYSA-N 1 0 423.560 3.569 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[NH+]1CCCC1 ZINC000533825451 1008136477 /nfs/dbraw/zinc/13/64/77/1008136477.db2.gz AIRLKGXQIFYMCZ-OAQYLSRUSA-N 1 0 424.501 3.508 20 5 HHBDRO CC1CC[NH+](CCc2cccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)c2)CC1 ZINC000539893836 1008169074 /nfs/dbraw/zinc/16/90/74/1008169074.db2.gz AHYOVKQASMFTHU-UHFFFAOYSA-N 1 0 411.458 3.850 20 5 HHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2cnc(SC3CCCC3)nc2)n1 ZINC000518205113 1008205120 /nfs/dbraw/zinc/20/51/20/1008205120.db2.gz RDTSQXQHEOHYJQ-QZTJIDSGSA-N 1 0 416.551 3.932 20 5 HHBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000533944275 1008222918 /nfs/dbraw/zinc/22/29/18/1008222918.db2.gz GPRPHRBHTGQDCD-INIZCTEOSA-N 1 0 406.486 3.960 20 5 HHBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000518353082 1008272980 /nfs/dbraw/zinc/27/29/80/1008272980.db2.gz GCMMYOFLWNSNKW-IBGZPJMESA-N 1 0 421.501 3.582 20 5 HHBDRO COc1cccc(CN(CC[NH+](C)C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000518353727 1008273696 /nfs/dbraw/zinc/27/36/96/1008273696.db2.gz PFNZLEUKVKASOD-UHFFFAOYSA-N 1 0 423.517 3.568 20 5 HHBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000540099719 1008287489 /nfs/dbraw/zinc/28/74/89/1008287489.db2.gz HUULLKOHTGKQDP-UHFFFAOYSA-N 1 0 423.498 3.760 20 5 HHBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000540186975 1008327720 /nfs/dbraw/zinc/32/77/20/1008327720.db2.gz PZSKNPOXHCNSLJ-MRXNPFEDSA-N 1 0 405.520 3.519 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000540285600 1008367400 /nfs/dbraw/zinc/36/74/00/1008367400.db2.gz IPGGMHHFKMSVJZ-SCTDSRPQSA-N 1 0 400.523 3.672 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000540318605 1008377785 /nfs/dbraw/zinc/37/77/85/1008377785.db2.gz CFTKTCIHRIRFQH-LBPRGKRZSA-N 1 0 409.389 3.884 20 5 HHBDRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000540381858 1008408887 /nfs/dbraw/zinc/40/88/87/1008408887.db2.gz YDDZXZYTWAUGOX-MGPUTAFESA-N 1 0 413.474 3.626 20 5 HHBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)C ZINC000518791274 1008421973 /nfs/dbraw/zinc/42/19/73/1008421973.db2.gz GVLYISZNNNSQHH-DNVCBOLYSA-N 1 0 413.474 3.847 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000518833127 1008437866 /nfs/dbraw/zinc/43/78/66/1008437866.db2.gz ZOXDDCVVNIXGEX-PXAZEXFGSA-N 1 0 409.845 3.574 20 5 HHBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 ZINC000518852204 1008446303 /nfs/dbraw/zinc/44/63/03/1008446303.db2.gz ZXPQHJVTXKRKTB-MRXNPFEDSA-N 1 0 407.474 3.640 20 5 HHBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc([S@](C)=O)cc1 ZINC000542968784 1008542438 /nfs/dbraw/zinc/54/24/38/1008542438.db2.gz CHPNVKKJQSUHOJ-NZYNRKLISA-N 1 0 409.895 3.663 20 5 HHBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000545445362 1008557754 /nfs/dbraw/zinc/55/77/54/1008557754.db2.gz GQXXZACEWSQBTE-GOSISDBHSA-N 1 0 404.470 3.880 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000549028599 1008597811 /nfs/dbraw/zinc/59/78/11/1008597811.db2.gz MCYMULRKKVEEOM-HXUWFJFHSA-N 1 0 413.474 3.569 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccc(-c3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)cc2)C[C@H](C)O1 ZINC000545552123 1008650288 /nfs/dbraw/zinc/65/02/88/1008650288.db2.gz CVSBCAYTKQMRAX-OKILXGFUSA-N 1 0 409.446 3.503 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000549130230 1008700928 /nfs/dbraw/zinc/70/09/28/1008700928.db2.gz GYEFYAQFWNAAHQ-OALUTQOASA-N 1 0 424.545 3.935 20 5 HHBDRO C[C@@H](c1nc(-c2cccc(OCC[NH+](C)C)c2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000545675198 1008767290 /nfs/dbraw/zinc/76/72/90/1008767290.db2.gz QVULYFUKMZUGHW-CYBMUJFWSA-N 1 0 400.410 3.876 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000549199015 1008772497 /nfs/dbraw/zinc/77/24/97/1008772497.db2.gz DTCYRKSWWZMOTH-QFIPXVFZSA-N 1 0 411.502 3.806 20 5 HHBDRO CSc1ccc([C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[NH+](C)C)cc1 ZINC000549284957 1008856295 /nfs/dbraw/zinc/85/62/95/1008856295.db2.gz CDSBWQFXFLSIMI-IBGZPJMESA-N 1 0 400.504 3.916 20 5 HHBDRO CCc1ccc([C@@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403778 1008997402 /nfs/dbraw/zinc/99/74/02/1008997402.db2.gz UPJFOCQLFMPYPM-KNQAVFIVSA-N 1 0 401.507 3.522 20 5 HHBDRO COc1cc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543410500 1009004284 /nfs/dbraw/zinc/00/42/84/1009004284.db2.gz SYNWYCFZJXCVLN-QWHCGFSZSA-N 1 0 406.401 3.839 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000543411117 1009004700 /nfs/dbraw/zinc/00/47/00/1009004700.db2.gz HQVVMQJXYKHWQQ-LBPRGKRZSA-N 1 0 407.854 3.772 20 5 HHBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000549444140 1009034027 /nfs/dbraw/zinc/03/40/27/1009034027.db2.gz ZRESINYBQVZCMD-GOSISDBHSA-N 1 0 412.538 3.822 20 5 HHBDRO COc1ccc(C[NH2+]CCc2cn3cc(Br)cc(C)c3n2)cc1[N+](=O)[O-] ZINC000546056775 1009080952 /nfs/dbraw/zinc/08/09/52/1009080952.db2.gz TXXFNFAFHNCRSA-UHFFFAOYSA-N 1 0 419.279 3.654 20 5 HHBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000543561710 1009168642 /nfs/dbraw/zinc/16/86/42/1009168642.db2.gz VOMKZDGIPUUNPH-WBMJQRKESA-N 1 0 406.895 3.885 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000543748895 1009328470 /nfs/dbraw/zinc/32/84/70/1009328470.db2.gz HUZMSNOJVYHRCY-QFBILLFUSA-N 1 0 400.475 3.775 20 5 HHBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C2)CC1 ZINC000543773659 1009342697 /nfs/dbraw/zinc/34/26/97/1009342697.db2.gz BEQHXSYRESDACS-OAHLLOKOSA-N 1 0 411.449 3.780 20 5 HHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000520211022 1009344959 /nfs/dbraw/zinc/34/49/59/1009344959.db2.gz PUHNIHMMPXCORY-UHFFFAOYSA-N 1 0 414.792 3.953 20 5 HHBDRO C[NH+](C)CCOc1ccccc1-c1noc(CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000546402836 1009418256 /nfs/dbraw/zinc/41/82/56/1009418256.db2.gz VWZWJZYCLYVTRQ-UHFFFAOYSA-N 1 0 400.460 3.878 20 5 HHBDRO C[NH+]1CCN(c2ccccc2-c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)CC1 ZINC000546421932 1009441095 /nfs/dbraw/zinc/44/10/95/1009441095.db2.gz XZNDYTFXOJXSOT-UHFFFAOYSA-N 1 0 413.865 3.641 20 5 HHBDRO CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000549831637 1009441469 /nfs/dbraw/zinc/44/14/69/1009441469.db2.gz WWGCHVQKXMDVAQ-RXVVDRJESA-N 1 0 424.549 3.962 20 5 HHBDRO CCc1oc2ccccc2c1CN(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544071644 1009675362 /nfs/dbraw/zinc/67/53/62/1009675362.db2.gz SOGPAROPZOTNSH-UHFFFAOYSA-N 1 0 402.472 3.809 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000546686282 1009680038 /nfs/dbraw/zinc/68/00/38/1009680038.db2.gz XYVNZBYWRQUESW-CQSZACIVSA-N 1 0 411.911 3.576 20 5 HHBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccnc2)cc1 ZINC000544120680 1009729110 /nfs/dbraw/zinc/72/91/10/1009729110.db2.gz WDLVOWDLVVAOAU-MRXNPFEDSA-N 1 0 411.483 3.781 20 5 HHBDRO Cc1ncc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC000544179378 1009783840 /nfs/dbraw/zinc/78/38/40/1009783840.db2.gz PAXJRGYYEQBXLS-UHFFFAOYSA-N 1 0 416.441 3.541 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)cccc1[N+](=O)[O-] ZINC000550237891 1009796016 /nfs/dbraw/zinc/79/60/16/1009796016.db2.gz DKNZHCGIMLRLBQ-OAHLLOKOSA-N 1 0 411.437 3.907 20 5 HHBDRO O=C(C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000520847595 1009901694 /nfs/dbraw/zinc/90/16/94/1009901694.db2.gz KDGKALRXKMLJSJ-UHFFFAOYSA-N 1 0 421.856 3.707 20 5 HHBDRO C[C@H](CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000544336253 1009960243 /nfs/dbraw/zinc/96/02/43/1009960243.db2.gz IRAFZEYKMHGQMO-CYBMUJFWSA-N 1 0 403.401 3.530 20 5 HHBDRO CC(C)c1ccc([C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2cccs2)cc1 ZINC000520953824 1010003211 /nfs/dbraw/zinc/00/32/11/1010003211.db2.gz OPHZDDNGEBOPSV-QUCCMNQESA-N 1 0 400.504 3.716 20 5 HHBDRO C[N@@H+]1CCCN(c2ccc(-c3noc(-c4cc5cc([N+](=O)[O-])ccc5o4)n3)cn2)CC1 ZINC000547068631 1010022305 /nfs/dbraw/zinc/02/23/05/1010022305.db2.gz BDOFVFMFDATAGH-UHFFFAOYSA-N 1 0 420.429 3.595 20 5 HHBDRO C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544422572 1010042814 /nfs/dbraw/zinc/04/28/14/1010042814.db2.gz YKGYHIYIZLSJGQ-QLFBSQMISA-N 1 0 408.930 3.818 20 5 HHBDRO C[NH+](C)CCOc1ccccc1-c1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000547103511 1010055569 /nfs/dbraw/zinc/05/55/69/1010055569.db2.gz HOSAGCVRLKQVGK-UHFFFAOYSA-N 1 0 402.838 3.829 20 5 HHBDRO C[NH+]1CCN(c2ccccc2-c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc34)n2)CC1 ZINC000547136095 1010085134 /nfs/dbraw/zinc/08/51/34/1010085134.db2.gz MEDMWHFUJIVOQE-UHFFFAOYSA-N 1 0 404.430 3.545 20 5 HHBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000521067760 1010085730 /nfs/dbraw/zinc/08/57/30/1010085730.db2.gz WLYPCAVEYMTSHA-UHFFFAOYSA-N 1 0 408.458 3.619 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000550711654 1010119060 /nfs/dbraw/zinc/11/90/60/1010119060.db2.gz FHULJYBLRWXGFZ-CQSZACIVSA-N 1 0 412.328 3.764 20 5 HHBDRO COCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000544508168 1010130256 /nfs/dbraw/zinc/13/02/56/1010130256.db2.gz YFNWCJOFHXLQGR-UHFFFAOYSA-N 1 0 421.563 3.671 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000544534065 1010164713 /nfs/dbraw/zinc/16/47/13/1010164713.db2.gz ULMSKPBLKKBJSX-QRWLVFNGSA-N 1 0 415.465 3.799 20 5 HHBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000544538928 1010167813 /nfs/dbraw/zinc/16/78/13/1010167813.db2.gz ZVJMYTOTLZWDME-BTYIYWSLSA-N 1 0 415.465 3.799 20 5 HHBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)(F)F)c1 ZINC000544572837 1010201690 /nfs/dbraw/zinc/20/16/90/1010201690.db2.gz JIQDEHVXDLMBDL-LBPRGKRZSA-N 1 0 418.393 3.618 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 ZINC000521348013 1010322980 /nfs/dbraw/zinc/32/29/80/1010322980.db2.gz BMTGWTIZXHSNRA-ZJSXRUAMSA-N 1 0 404.466 3.982 20 5 HHBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000521385896 1010349405 /nfs/dbraw/zinc/34/94/05/1010349405.db2.gz JEBMYBFOGZCJSA-HUUCEWRRSA-N 1 0 405.882 3.825 20 5 HHBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000521508503 1010422793 /nfs/dbraw/zinc/42/27/93/1010422793.db2.gz QRSZLKHEVOXLBP-UHFFFAOYSA-N 1 0 407.474 3.552 20 5 HHBDRO CC1CC[NH+]([C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000521541063 1010450656 /nfs/dbraw/zinc/45/06/56/1010450656.db2.gz VITCBDLEAKVCHU-GOSISDBHSA-N 1 0 402.520 3.658 20 5 HHBDRO C[NH+](C)CCOc1ccc(-c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000544954546 1010517201 /nfs/dbraw/zinc/51/72/01/1010517201.db2.gz VZILKWIEOKHPMF-UHFFFAOYSA-N 1 0 404.373 3.725 20 5 HHBDRO COc1cccc(C2CC[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)c1 ZINC000548078559 1010522024 /nfs/dbraw/zinc/52/20/24/1010522024.db2.gz WYUODEJSLCOVEO-UHFFFAOYSA-N 1 0 411.458 3.781 20 5 HHBDRO CCCOc1cc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1OCCC ZINC000548196375 1010558669 /nfs/dbraw/zinc/55/86/69/1010558669.db2.gz ZHOAPAYUHSJRMU-OAHLLOKOSA-N 1 0 408.499 3.588 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000548469828 1010636937 /nfs/dbraw/zinc/63/69/37/1010636937.db2.gz VIMBWEBDONMAET-JOCHJYFZSA-N 1 0 408.502 3.573 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000545178365 1010673611 /nfs/dbraw/zinc/67/36/11/1010673611.db2.gz MYLHSCBGHKBGIY-IAGOWNOFSA-N 1 0 411.502 3.708 20 5 HHBDRO CC1CC[NH+](CCc2cccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000545381110 1010763948 /nfs/dbraw/zinc/76/39/48/1010763948.db2.gz QHVGGQHVGBSSBQ-UHFFFAOYSA-N 1 0 417.531 3.811 20 5 HHBDRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000522557825 1011078893 /nfs/dbraw/zinc/07/88/93/1011078893.db2.gz IIPFXHGGARRIQM-CQSZACIVSA-N 1 0 423.922 3.752 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000540622131 1011272540 /nfs/dbraw/zinc/27/25/40/1011272540.db2.gz NDVKQNISFULAGU-QUCCMNQESA-N 1 0 411.502 3.699 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000536205839 1011351422 /nfs/dbraw/zinc/35/14/22/1011351422.db2.gz YZUOQUQXEYUVQE-KRWDZBQOSA-N 1 0 419.865 3.739 20 5 HHBDRO NC(=O)C1CC[NH+](Cc2cccc(N[C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)c2)CC1 ZINC000540736219 1011387348 /nfs/dbraw/zinc/38/73/48/1011387348.db2.gz COQFDOLAOUHFJI-QFIPXVFZSA-N 1 0 422.529 3.725 20 5 HHBDRO C[C@](O)(C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000536338385 1011541081 /nfs/dbraw/zinc/54/10/81/1011541081.db2.gz GLAGYWKUFUIVJG-IBGZPJMESA-N 1 0 420.391 3.850 20 5 HHBDRO CCOC(=O)c1ccnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000523115105 1011582728 /nfs/dbraw/zinc/58/27/28/1011582728.db2.gz SAIFUYABPMIQQO-UHFFFAOYSA-N 1 0 412.490 3.515 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000541055247 1011696211 /nfs/dbraw/zinc/69/62/11/1011696211.db2.gz XEVCSMBOBLPEEV-JENIJYKNSA-N 1 0 405.539 3.944 20 5 HHBDRO COc1cccc([C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[NH+]2CCCC2)c1 ZINC000536507727 1011709120 /nfs/dbraw/zinc/70/91/20/1011709120.db2.gz RCVRXJRYDXQNEL-FQEVSTJZSA-N 1 0 408.458 3.652 20 5 HHBDRO C[NH+](C)Cc1ccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1F ZINC000536526213 1011718904 /nfs/dbraw/zinc/71/89/04/1011718904.db2.gz PXPPMNPTZRQADK-UHFFFAOYSA-N 1 0 414.462 3.849 20 5 HHBDRO CCN(CC)C(=O)CCC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000541085928 1011727552 /nfs/dbraw/zinc/72/75/52/1011727552.db2.gz LRBMEMCFZWVZGW-UHFFFAOYSA-N 1 0 418.538 3.592 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000541088799 1011732540 /nfs/dbraw/zinc/73/25/40/1011732540.db2.gz HQZVEQVNOPSXPT-UHFFFAOYSA-N 1 0 401.511 3.979 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1 ZINC000541112842 1011762842 /nfs/dbraw/zinc/76/28/42/1011762842.db2.gz DTMWHSIXKCWDTG-INIZCTEOSA-N 1 0 413.474 3.693 20 5 HHBDRO CCOc1cc(C[N@@H+]2C[C@H](C)C[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000536659432 1011807827 /nfs/dbraw/zinc/80/78/27/1011807827.db2.gz CXPFMGRXWYWAKA-CVEARBPZSA-N 1 0 402.495 3.808 20 5 HHBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000536664909 1011816169 /nfs/dbraw/zinc/81/61/69/1011816169.db2.gz WELDLPUJWNQYJE-JOCHJYFZSA-N 1 0 414.458 3.567 20 5 HHBDRO C[N@H+](CCCO)C1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000536676990 1011840425 /nfs/dbraw/zinc/84/04/25/1011840425.db2.gz VLXYGCBSDNDUDA-UHFFFAOYSA-N 1 0 417.481 3.805 20 5 HHBDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000536696144 1011862967 /nfs/dbraw/zinc/86/29/67/1011862967.db2.gz KOVRKKOXMWFQKM-INIZCTEOSA-N 1 0 401.429 3.916 20 5 HHBDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000541314101 1012021968 /nfs/dbraw/zinc/02/19/68/1012021968.db2.gz YXVXBMJGFQIGCB-HNAYVOBHSA-N 1 0 411.458 3.985 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000523501902 1012024179 /nfs/dbraw/zinc/02/41/79/1012024179.db2.gz ZNRQZVNCWDLDII-UHFFFAOYSA-N 1 0 424.270 3.700 20 5 HHBDRO CCc1noc(-c2ccc(CC[NH2+][C@@H](C)CC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000536863279 1012099250 /nfs/dbraw/zinc/09/92/50/1012099250.db2.gz LNIABMMGAUQPPJ-HNNXBMFYSA-N 1 0 423.473 3.757 20 5 HHBDRO CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000536865845 1012102705 /nfs/dbraw/zinc/10/27/05/1012102705.db2.gz SYQZRAJJDBPAKT-OAQYLSRUSA-N 1 0 417.531 3.736 20 5 HHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000552096901 1012112768 /nfs/dbraw/zinc/11/27/68/1012112768.db2.gz MYQWYWCGKGAFRO-AWEZNQCLSA-N 1 0 404.898 3.792 20 5 HHBDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000536875979 1012119152 /nfs/dbraw/zinc/11/91/52/1012119152.db2.gz JNEPVYJCBHTJIT-INIZCTEOSA-N 1 0 403.504 3.620 20 5 HHBDRO Cn1ccnc1[C@H](N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552223998 1012237219 /nfs/dbraw/zinc/23/72/19/1012237219.db2.gz BCMKZATXQQULKT-RBBKRZOGSA-N 1 0 405.502 3.672 20 5 HHBDRO O=C(CC[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000552259868 1012270139 /nfs/dbraw/zinc/27/01/39/1012270139.db2.gz ZJFBHPPRHNNFSL-PKOBYXMFSA-N 1 0 405.401 3.791 20 5 HHBDRO Cn1ccnc1[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552265237 1012275766 /nfs/dbraw/zinc/27/57/66/1012275766.db2.gz PFWUDTNRVGQISU-JOCHJYFZSA-N 1 0 405.502 3.924 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)c(Cl)c1 ZINC000541555396 1012344067 /nfs/dbraw/zinc/34/40/67/1012344067.db2.gz BLPAEYYQLQQLAP-ZDUSSCGKSA-N 1 0 415.671 3.540 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(Cc2ccccn2)C1=O ZINC000541568098 1012358156 /nfs/dbraw/zinc/35/81/56/1012358156.db2.gz CFQJOXINZBITQQ-AEFFLSMTSA-N 1 0 414.531 3.641 20 5 HHBDRO C[NH+](C)Cc1cc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000523741540 1012362350 /nfs/dbraw/zinc/36/23/50/1012362350.db2.gz PUXBBUIPVUPVAY-UHFFFAOYSA-N 1 0 414.462 3.849 20 5 HHBDRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000541579723 1012371391 /nfs/dbraw/zinc/37/13/91/1012371391.db2.gz ZAIJKLIRFJKICY-KRWDZBQOSA-N 1 0 420.893 3.840 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000537066980 1012405777 /nfs/dbraw/zinc/40/57/77/1012405777.db2.gz VEEGRYXKYAVUQM-HNNXBMFYSA-N 1 0 401.463 3.990 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1ccnn1Cc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000537074669 1012417583 /nfs/dbraw/zinc/41/75/83/1012417583.db2.gz PHUNIZUMHQHKEK-CQSZACIVSA-N 1 0 413.865 3.782 20 5 HHBDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000541663377 1012491606 /nfs/dbraw/zinc/49/16/06/1012491606.db2.gz VIFZGRCEIHUGGE-BDJLRTHQSA-N 1 0 421.910 3.588 20 5 HHBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000552680556 1012688503 /nfs/dbraw/zinc/68/85/03/1012688503.db2.gz XHVTWAHEEIJCKG-MJGOQNOKSA-N 1 0 400.523 3.530 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000537262934 1012713597 /nfs/dbraw/zinc/71/35/97/1012713597.db2.gz JLRNSEZMNQMUBQ-UWJYYQICSA-N 1 0 416.481 3.907 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]CCNC(=O)c3cccc(C)c3)o2)c([N+](=O)[O-])c1 ZINC000537273825 1012727344 /nfs/dbraw/zinc/72/73/44/1012727344.db2.gz NEFLSMCMEDMATG-UHFFFAOYSA-N 1 0 409.442 3.691 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000537327261 1012784040 /nfs/dbraw/zinc/78/40/40/1012784040.db2.gz MMJFFHNVIDJQAA-AZUAARDMSA-N 1 0 411.502 3.699 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541927156 1012787737 /nfs/dbraw/zinc/78/77/37/1012787737.db2.gz BOLAFRALWXIHDB-YOEHRIQHSA-N 1 0 419.428 3.837 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000541960542 1012824193 /nfs/dbraw/zinc/82/41/93/1012824193.db2.gz FQDHWIOEBSDDHZ-CYBMUJFWSA-N 1 0 420.416 3.547 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000552866482 1012870487 /nfs/dbraw/zinc/87/04/87/1012870487.db2.gz CXQKVWOSLBFDFM-LBPRGKRZSA-N 1 0 409.389 3.884 20 5 HHBDRO COc1cc(C)cc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000571486293 1072636261 /nfs/dbraw/zinc/63/62/61/1072636261.db2.gz ZBBONRJPHFIBML-UHFFFAOYSA-N 1 0 412.227 3.806 20 5 HHBDRO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000571496424 1072640819 /nfs/dbraw/zinc/64/08/19/1072640819.db2.gz NUGGGRQDKPQFAA-UHFFFAOYSA-N 1 0 422.407 3.850 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CCC(c3ccc(F)cc3)CC2)cc1 ZINC000571602839 1072677167 /nfs/dbraw/zinc/67/71/67/1072677167.db2.gz MCJNXXFQOXPLLT-UHFFFAOYSA-N 1 0 406.479 3.824 20 5 HHBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[C@@H]1n1cccn1 ZINC000567474283 1072916628 /nfs/dbraw/zinc/91/66/28/1072916628.db2.gz SHMJZDMSYCYQFC-UIFIKXQLSA-N 1 0 412.446 3.568 20 5 HHBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[C@@H]1n1cccn1 ZINC000567474284 1072916653 /nfs/dbraw/zinc/91/66/53/1072916653.db2.gz SHMJZDMSYCYQFC-WMQCIHAUSA-N 1 0 412.446 3.568 20 5 HHBDRO CCOC(=O)c1n[nH]c(-c2cccc(C[NH2+]CC(C)=Cc3cccc([N+](=O)[O-])c3)c2)n1 ZINC000554879606 1072931724 /nfs/dbraw/zinc/93/17/24/1072931724.db2.gz WYYWGZFVMZXUKR-GDNBJRDFSA-N 1 0 421.457 3.750 20 5 HHBDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000554950001 1072983440 /nfs/dbraw/zinc/98/34/40/1072983440.db2.gz LKDOUBCETJTACW-GESALYCCSA-N 1 0 420.872 3.749 20 5 HHBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588903831 1073319690 /nfs/dbraw/zinc/31/96/90/1073319690.db2.gz ODTAGYLVADXSGS-UHFFFAOYSA-N 1 0 421.469 3.911 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000590198452 1073645826 /nfs/dbraw/zinc/64/58/26/1073645826.db2.gz WFHDPFWUBNTRMZ-UHFFFAOYSA-N 1 0 403.287 3.855 20 5 HHBDRO C[C@@H]1CN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@H](C)[N@H+]1C ZINC000555659490 1073712278 /nfs/dbraw/zinc/71/22/78/1073712278.db2.gz RFUIBYATJMKHPO-QEEYODRMSA-N 1 0 416.909 3.952 20 5 HHBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000590345055 1073749779 /nfs/dbraw/zinc/74/97/79/1073749779.db2.gz KLHLLWYIWZDTLD-FUHWJXTLSA-N 1 0 411.506 3.719 20 5 HHBDRO CSc1ccc([C@@H](CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000590532303 1073910556 /nfs/dbraw/zinc/91/05/56/1073910556.db2.gz ALLAJQWMJJUDAB-LJQANCHMSA-N 1 0 417.531 3.813 20 5 HHBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000760812069 1074166799 /nfs/dbraw/zinc/16/67/99/1074166799.db2.gz VSLDFEDWCGLJTP-UHFFFAOYSA-N 1 0 406.280 3.691 20 5 HHBDRO Cc1n[nH]c(C(=O)N[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000573426672 1074392869 /nfs/dbraw/zinc/39/28/69/1074392869.db2.gz SDDCRIXYYDAPNE-YQAQFAQXSA-N 1 0 417.897 3.624 20 5 HHBDRO COc1ccc(C[C@](C)(O)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000574612397 1075302032 /nfs/dbraw/zinc/30/20/32/1075302032.db2.gz XHSYEQRPFJOZKJ-UGKGYDQZSA-N 1 0 400.475 3.573 20 5 HHBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000574939874 1075441955 /nfs/dbraw/zinc/44/19/55/1075441955.db2.gz JIPGIJRLAZJTHF-UHFFFAOYSA-N 1 0 424.526 3.597 20 5 HHBDRO O=[N+]([O-])c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1-c1ccccc1 ZINC001164740292 720593459 /nfs/dbraw/zinc/59/34/59/720593459.db2.gz IKQSKFKECLJRFV-UHFFFAOYSA-N 1 0 418.501 3.512 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)CC2 ZINC001164839757 720702728 /nfs/dbraw/zinc/70/27/28/720702728.db2.gz MTDPOHXDGWYSEL-SFHVURJKSA-N 1 0 421.501 3.731 20 5 HHBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164791586 721494507 /nfs/dbraw/zinc/49/45/07/721494507.db2.gz DWIWDGZCYVGYEW-UHFFFAOYSA-N 1 0 418.501 3.814 20 5 HHBDRO O=[N+]([O-])c1cccc2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc21 ZINC001164905844 721530573 /nfs/dbraw/zinc/53/05/73/721530573.db2.gz JADBORQLDCDLML-PKOBYXMFSA-N 1 0 408.433 3.624 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@H]21 ZINC001165018595 721800413 /nfs/dbraw/zinc/80/04/13/721800413.db2.gz BKWXWNSLGGQHGP-ZTFGCOKTSA-N 1 0 401.898 3.775 20 5 HHBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC001165021982 721841554 /nfs/dbraw/zinc/84/15/54/721841554.db2.gz KXKLBCOLOYOAIS-UHFFFAOYSA-N 1 0 414.506 3.725 20 5 HHBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)cnc2c1 ZINC001164995224 722195755 /nfs/dbraw/zinc/19/57/55/722195755.db2.gz SRCFWILLTXEEPG-QFIPXVFZSA-N 1 0 407.449 3.922 20 5 HHBDRO C[C@H]1C[NH+](CC2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000301183895 970792590 /nfs/dbraw/zinc/79/25/90/970792590.db2.gz OIKYSBZFBMWYQX-KBPBESRZSA-N 1 0 401.429 3.939 20 5 HHBDRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])cc3Cl)c2)C1 ZINC000301185398 970793850 /nfs/dbraw/zinc/79/38/50/970793850.db2.gz DMYALZAEUXRVHK-INIZCTEOSA-N 1 0 402.882 3.558 20 5 HHBDRO O=c1[nH]cnc2cc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c([N+](=O)[O-])cc21 ZINC000301225345 970818464 /nfs/dbraw/zinc/81/84/64/970818464.db2.gz BGRBRPFPNZDNIR-ALOPSCKCSA-N 1 0 405.458 3.851 20 5 HHBDRO O=c1c(Cl)c(NC2CC[NH+](C3CCCC3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000301527597 970968174 /nfs/dbraw/zinc/96/81/74/970968174.db2.gz JQWYJMNHPFDCIU-UHFFFAOYSA-N 1 0 417.897 3.613 20 5 HHBDRO O=C(NC1CC1)c1ccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000301572534 970985188 /nfs/dbraw/zinc/98/51/88/970985188.db2.gz YRPNTVOWWHIANT-KRWDZBQOSA-N 1 0 400.523 3.579 20 5 HHBDRO C[C@H]1C[C@@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000301611805 971001816 /nfs/dbraw/zinc/00/18/16/971001816.db2.gz FBXNIDGXMOTHCH-QFBILLFUSA-N 1 0 419.485 3.634 20 5 HHBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000301622352 971006247 /nfs/dbraw/zinc/00/62/47/971006247.db2.gz NUIYAMLEBDLPQW-XLIONFOSSA-N 1 0 408.502 3.906 20 5 HHBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000301622350 971006409 /nfs/dbraw/zinc/00/64/09/971006409.db2.gz NUIYAMLEBDLPQW-PXNSSMCTSA-N 1 0 408.502 3.906 20 5 HHBDRO CC1CC[NH+]([C@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c2cccs2)CC1 ZINC000301690278 971029563 /nfs/dbraw/zinc/02/95/63/971029563.db2.gz NJKLKWCRJLEOEN-QGZVFWFLSA-N 1 0 416.503 3.872 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301931504 971121596 /nfs/dbraw/zinc/12/15/96/971121596.db2.gz LTPBGBWJFZFOGP-CQSZACIVSA-N 1 0 415.581 3.541 20 5 HHBDRO Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302046628 971160991 /nfs/dbraw/zinc/16/09/91/971160991.db2.gz LEELMETWFGRKIG-NRFANRHFSA-N 1 0 419.485 3.539 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000302047815 971161741 /nfs/dbraw/zinc/16/17/41/971161741.db2.gz NWFMHUNIBKBYIS-IAGOWNOFSA-N 1 0 402.495 3.642 20 5 HHBDRO Cc1cc(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302063134 971165920 /nfs/dbraw/zinc/16/59/20/971165920.db2.gz ADVLWEADKWSAAM-UHFFFAOYSA-N 1 0 403.442 3.936 20 5 HHBDRO O=[N+]([O-])c1cc(Br)ccc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000302063878 971166817 /nfs/dbraw/zinc/16/68/17/971166817.db2.gz VCSGAVMUBQRIKU-INIZCTEOSA-N 1 0 406.280 3.536 20 5 HHBDRO CC(C)NC(=O)c1ccc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000302073273 971169306 /nfs/dbraw/zinc/16/93/06/971169306.db2.gz VEXPNJVGZXZQJY-ZWKOTPCHSA-N 1 0 402.539 3.824 20 5 HHBDRO CNC(=O)c1ccc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC000302183262 971200883 /nfs/dbraw/zinc/20/08/83/971200883.db2.gz SKWZWXIVULUXPG-XUVXKRRUSA-N 1 0 408.502 3.667 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1 ZINC000302635043 971267530 /nfs/dbraw/zinc/26/75/30/971267530.db2.gz KCPOVZGSFVZNFY-INIZCTEOSA-N 1 0 417.531 3.985 20 5 HHBDRO CC1CC[NH+](Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000302662900 971273975 /nfs/dbraw/zinc/27/39/75/971273975.db2.gz PKWXKPJNKVAZHQ-UHFFFAOYSA-N 1 0 417.531 3.842 20 5 HHBDRO C[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)Cc1ccccc1 ZINC000302668815 971275735 /nfs/dbraw/zinc/27/57/35/971275735.db2.gz SYQRETMAIBFZCU-UHFFFAOYSA-N 1 0 410.518 3.837 20 5 HHBDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1)c1ccccc1 ZINC000303417869 971695152 /nfs/dbraw/zinc/69/51/52/971695152.db2.gz SZXLSIDIYSXEQM-MRXNPFEDSA-N 1 0 403.504 3.537 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000303549777 971847537 /nfs/dbraw/zinc/84/75/37/971847537.db2.gz HCAWGIBNFMPFCH-HOTGVXAUSA-N 1 0 408.930 3.773 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000303586500 971878435 /nfs/dbraw/zinc/87/84/35/971878435.db2.gz STMUPZAEKQAYLM-GJZGRUSLSA-N 1 0 415.943 3.523 20 5 HHBDRO O=C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000303730421 971983836 /nfs/dbraw/zinc/98/38/36/971983836.db2.gz VATCSTMJZJFJSY-MRXNPFEDSA-N 1 0 408.930 3.775 20 5 HHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000303739264 971993211 /nfs/dbraw/zinc/99/32/11/971993211.db2.gz HVPMNXPNARCTJD-HOCLYGCPSA-N 1 0 419.445 3.628 20 5 HHBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303789845 972028948 /nfs/dbraw/zinc/02/89/48/972028948.db2.gz JSWVROOIXYNSGV-LPHOPBHVSA-N 1 0 417.531 3.577 20 5 HHBDRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000542209008 1013153724 /nfs/dbraw/zinc/15/37/24/1013153724.db2.gz NABSLEZOSZSSQG-SFHVURJKSA-N 1 0 407.470 3.914 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000542212634 1013160220 /nfs/dbraw/zinc/16/02/20/1013160220.db2.gz RNLXLXNKZPXUKL-MRXNPFEDSA-N 1 0 413.499 3.824 20 5 HHBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000537621567 1013166881 /nfs/dbraw/zinc/16/68/81/1013166881.db2.gz YGEWTUWWOVZHCI-HSZRJFAPSA-N 1 0 420.469 3.833 20 5 HHBDRO COc1cc(C[N@H+](C)CC2(O)CCCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000537623602 1013172665 /nfs/dbraw/zinc/17/26/65/1013172665.db2.gz KABATFINMCFWFE-UHFFFAOYSA-N 1 0 400.475 3.919 20 5 HHBDRO O=C1NCCCN1C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000537629999 1013182316 /nfs/dbraw/zinc/18/23/16/1013182316.db2.gz DEWRPUDSHDDNTF-UHFFFAOYSA-N 1 0 400.504 3.703 20 5 HHBDRO CCOC(=O)c1cnn(C2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)c1C ZINC000553244070 1013209426 /nfs/dbraw/zinc/20/94/26/1013209426.db2.gz LMMJPYXLDRHUEI-UHFFFAOYSA-N 1 0 423.473 3.975 20 5 HHBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000537729215 1013290586 /nfs/dbraw/zinc/29/05/86/1013290586.db2.gz CYMMVRDSJAMEJY-FQEVSTJZSA-N 1 0 415.515 3.649 20 5 HHBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553456605 1013369247 /nfs/dbraw/zinc/36/92/47/1013369247.db2.gz VTNNLFILGOYBIZ-HSZRJFAPSA-N 1 0 404.470 3.814 20 5 HHBDRO COc1cccc(NC(=O)[C@H]([NH2+]CCNc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000015505519 962777594 /nfs/dbraw/zinc/77/75/94/962777594.db2.gz PVCJSKJASURJFK-JOCHJYFZSA-N 1 0 420.469 3.985 20 5 HHBDRO CC[N@H+](CCC1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000537849712 1013416565 /nfs/dbraw/zinc/41/65/65/1013416565.db2.gz OMNYGSRQLBPVHR-KRWDZBQOSA-N 1 0 402.539 3.756 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000024469746 964005425 /nfs/dbraw/zinc/00/54/25/964005425.db2.gz HDSSRNMFTSAWPG-UHFFFAOYSA-N 1 0 400.504 3.629 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000024856883 964091559 /nfs/dbraw/zinc/09/15/59/964091559.db2.gz ZQGFTBDMAZVBLP-UHFFFAOYSA-N 1 0 410.474 3.583 20 5 HHBDRO COC(=O)C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCCC1 ZINC000542532732 1013477104 /nfs/dbraw/zinc/47/71/04/1013477104.db2.gz LLYZWMKWMIADKT-SFHVURJKSA-N 1 0 401.463 3.894 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2[N+](=O)[O-])C1 ZINC000050009401 964237693 /nfs/dbraw/zinc/23/76/93/964237693.db2.gz VTKAXXLGIUIUAI-SFHVURJKSA-N 1 0 414.550 3.922 20 5 HHBDRO CC(C)NC(=O)c1ccc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000025500589 964288110 /nfs/dbraw/zinc/28/81/10/964288110.db2.gz IAKRPWJWWBAGPL-CQSZACIVSA-N 1 0 402.520 3.653 20 5 HHBDRO C[C@@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000542554104 1013496673 /nfs/dbraw/zinc/49/66/73/1013496673.db2.gz RRQJXECRTDZZNX-OAHLLOKOSA-N 1 0 409.527 3.705 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000026218733 964488776 /nfs/dbraw/zinc/48/87/76/964488776.db2.gz DQMPXGQKMBMTGZ-UHFFFAOYSA-N 1 0 402.882 3.707 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(Br)cc1 ZINC000026224898 964492738 /nfs/dbraw/zinc/49/27/38/964492738.db2.gz SURKXFUAQJFWCQ-UHFFFAOYSA-N 1 0 422.279 3.827 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000537938687 1013522815 /nfs/dbraw/zinc/52/28/15/1013522815.db2.gz LDIKIZBIKJDIEV-QGZVFWFLSA-N 1 0 417.531 3.680 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000537938686 1013523156 /nfs/dbraw/zinc/52/31/56/1013523156.db2.gz LDIKIZBIKJDIEV-KRWDZBQOSA-N 1 0 417.531 3.680 20 5 HHBDRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])oc21 ZINC000542586791 1013527845 /nfs/dbraw/zinc/52/78/45/1013527845.db2.gz HNNKEPWASFVDBC-HOCLYGCPSA-N 1 0 400.431 3.830 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000052406916 964898325 /nfs/dbraw/zinc/89/83/25/964898325.db2.gz GSZBXTKMJBPXNE-UHFFFAOYSA-N 1 0 408.502 3.872 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000537954767 1013535519 /nfs/dbraw/zinc/53/55/19/1013535519.db2.gz UDMQFJKSYFMUNH-ZDUSSCGKSA-N 1 0 406.280 3.907 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)N2CCC(C[NH+]3CCCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000052713773 964960007 /nfs/dbraw/zinc/96/00/07/964960007.db2.gz CVGJCIMMTHEWLG-GOSISDBHSA-N 1 0 402.539 3.818 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000537958307 1013537973 /nfs/dbraw/zinc/53/79/73/1013537973.db2.gz PCEMPFBBGSHSID-HNNXBMFYSA-N 1 0 412.508 3.668 20 5 HHBDRO COc1ccc(C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C2CC2)cc1 ZINC000053097637 965061473 /nfs/dbraw/zinc/06/14/73/965061473.db2.gz OCULFBPXGGGBGS-HNNXBMFYSA-N 1 0 413.474 3.851 20 5 HHBDRO CC(C)NC(=O)c1ccc(NC[C@H](c2ccco2)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000028749742 965175962 /nfs/dbraw/zinc/17/59/62/965175962.db2.gz GDSLWZTWQZVEBM-LJQANCHMSA-N 1 0 400.479 3.965 20 5 HHBDRO CCc1noc(-c2ccc(CC[NH2+][C@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000537977312 1013553213 /nfs/dbraw/zinc/55/32/13/1013553213.db2.gz CINJVJRRSBYPLP-OAHLLOKOSA-N 1 0 423.473 3.757 20 5 HHBDRO CCc1noc(-c2ccc(CC[NH2+][C@@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000537977311 1013553301 /nfs/dbraw/zinc/55/33/01/1013553301.db2.gz CINJVJRRSBYPLP-HNNXBMFYSA-N 1 0 423.473 3.757 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053809481 965277014 /nfs/dbraw/zinc/27/70/14/965277014.db2.gz MKVABTMOECDDMP-QGZVFWFLSA-N 1 0 411.506 3.625 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000542692096 1013610433 /nfs/dbraw/zinc/61/04/33/1013610433.db2.gz YNJPNXAYMQGUEB-GOSISDBHSA-N 1 0 404.463 3.733 20 5 HHBDRO O=C(c1cc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000059734110 966027195 /nfs/dbraw/zinc/02/71/95/966027195.db2.gz AUDAJGVWPBBTSJ-HXUWFJFHSA-N 1 0 408.502 3.907 20 5 HHBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000055757666 966053839 /nfs/dbraw/zinc/05/38/39/966053839.db2.gz OPQGUQQVTGTTSR-MGPQQGTHSA-N 1 0 417.428 3.632 20 5 HHBDRO O=C(NC1CC1)c1ccc(NCC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000060082213 966058363 /nfs/dbraw/zinc/05/83/63/966058363.db2.gz NFYQWEBJXFWBOS-UHFFFAOYSA-N 1 0 408.502 3.811 20 5 HHBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000031766538 966114799 /nfs/dbraw/zinc/11/47/99/966114799.db2.gz SCSOMAACFGMTDR-UHFFFAOYSA-N 1 0 422.529 3.852 20 5 HHBDRO Cc1sc(C(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1[N+](=O)[O-] ZINC000032066193 966186807 /nfs/dbraw/zinc/18/68/07/966186807.db2.gz XJMORRCBCADDSU-UHFFFAOYSA-N 1 0 416.547 3.605 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000032068198 966187849 /nfs/dbraw/zinc/18/78/49/966187849.db2.gz QFVBDGCPVYLTIN-UHFFFAOYSA-N 1 0 410.518 3.544 20 5 HHBDRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056159847 966239539 /nfs/dbraw/zinc/23/95/39/966239539.db2.gz ABGAGAGXDRDIFF-KBPBESRZSA-N 1 0 411.462 3.557 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000056205928 966258116 /nfs/dbraw/zinc/25/81/16/966258116.db2.gz QASWZAXYXJVVDT-LIRRHRJNSA-N 1 0 403.866 3.944 20 5 HHBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032478577 966267975 /nfs/dbraw/zinc/26/79/75/966267975.db2.gz SSZSLVUTQZKYFU-UHFFFAOYSA-N 1 0 411.506 3.699 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000032504723 966274835 /nfs/dbraw/zinc/27/48/35/966274835.db2.gz DXOKGCPBLYKBDY-UHFFFAOYSA-N 1 0 400.504 3.711 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000032950089 966351128 /nfs/dbraw/zinc/35/11/28/966351128.db2.gz ZGXYZGMQPHLGBD-NRFANRHFSA-N 1 0 407.474 3.593 20 5 HHBDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000056479266 966354635 /nfs/dbraw/zinc/35/46/35/966354635.db2.gz DLBVSVWKVADXFD-UHFFFAOYSA-N 1 0 419.485 3.860 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000538076830 1013650760 /nfs/dbraw/zinc/65/07/60/1013650760.db2.gz JCFFSECUSSTBLG-UHFFFAOYSA-N 1 0 404.555 3.927 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[NH+]2CCCC2)cc1 ZINC000061502319 966482411 /nfs/dbraw/zinc/48/24/11/966482411.db2.gz AOAVFOJVAKUJOB-JOCHJYFZSA-N 1 0 406.486 3.811 20 5 HHBDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)cc1 ZINC000063262560 966795458 /nfs/dbraw/zinc/79/54/58/966795458.db2.gz BZZCVGMHVPALCG-UHFFFAOYSA-N 1 0 422.485 3.727 20 5 HHBDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OC ZINC000538122709 1013684868 /nfs/dbraw/zinc/68/48/68/1013684868.db2.gz NHPPBLZLSWUQHJ-LLVKDONJSA-N 1 0 423.853 3.563 20 5 HHBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745867 966945657 /nfs/dbraw/zinc/94/56/57/966945657.db2.gz QKTROFZYLIUGMH-UHFFFAOYSA-N 1 0 411.506 3.509 20 5 HHBDRO COc1cccc([C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000043306867 966948450 /nfs/dbraw/zinc/94/84/50/966948450.db2.gz DQCUGGCIIXFNLZ-NRFANRHFSA-N 1 0 412.490 3.582 20 5 HHBDRO CC(C)[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000064113283 967051531 /nfs/dbraw/zinc/05/15/31/967051531.db2.gz HPKFZTYTRVPPMH-FQEVSTJZSA-N 1 0 413.522 3.728 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000538142619 1013703623 /nfs/dbraw/zinc/70/36/23/1013703623.db2.gz BOOABKNNHOGRIW-LBPRGKRZSA-N 1 0 409.389 3.884 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000538142613 1013703647 /nfs/dbraw/zinc/70/36/47/1013703647.db2.gz BOOABKNNHOGRIW-GFCCVEGCSA-N 1 0 409.389 3.884 20 5 HHBDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000044796644 967292242 /nfs/dbraw/zinc/29/22/42/967292242.db2.gz PHFKHMYJQYQCGR-UHFFFAOYSA-N 1 0 408.380 3.618 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000538152327 1013712971 /nfs/dbraw/zinc/71/29/71/1013712971.db2.gz ZDQITJUSUBVYLL-HNNXBMFYSA-N 1 0 410.474 3.931 20 5 HHBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542871793 1013724493 /nfs/dbraw/zinc/72/44/93/1013724493.db2.gz FHGQMIJHMMGLAL-MRXNPFEDSA-N 1 0 405.401 3.591 20 5 HHBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542871792 1013724656 /nfs/dbraw/zinc/72/46/56/1013724656.db2.gz FHGQMIJHMMGLAL-INIZCTEOSA-N 1 0 405.401 3.591 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1cccc([N+](=O)[O-])c1 ZINC000538177383 1013736657 /nfs/dbraw/zinc/73/66/57/1013736657.db2.gz VMKKHSIYOBNLIL-GFCCVEGCSA-N 1 0 405.838 3.699 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000047319992 968138174 /nfs/dbraw/zinc/13/81/74/968138174.db2.gz WVCNNJLPPWDCFN-UHFFFAOYSA-N 1 0 402.426 3.529 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(-c2ccncc2)cc1 ZINC000538239961 1013788127 /nfs/dbraw/zinc/78/81/27/1013788127.db2.gz JUBBCFVOYONYOA-MRXNPFEDSA-N 1 0 402.454 3.897 20 5 HHBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(-c2ccncc2)cc1 ZINC000538239960 1013788221 /nfs/dbraw/zinc/78/82/21/1013788221.db2.gz JUBBCFVOYONYOA-INIZCTEOSA-N 1 0 402.454 3.897 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000048159010 968461486 /nfs/dbraw/zinc/46/14/86/968461486.db2.gz BQADCTSHQSTCGY-CYBMUJFWSA-N 1 0 403.401 3.530 20 5 HHBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000065747118 968622372 /nfs/dbraw/zinc/62/23/72/968622372.db2.gz YLHWRXYWXHGJHS-UHFFFAOYSA-N 1 0 412.471 3.952 20 5 HHBDRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000538275819 1013814912 /nfs/dbraw/zinc/81/49/12/1013814912.db2.gz BQLZEUODYYTRFM-MRXNPFEDSA-N 1 0 412.490 3.675 20 5 HHBDRO CCOC(=O)c1cc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc([N+](=O)[O-])c1 ZINC000065876485 968695964 /nfs/dbraw/zinc/69/59/64/968695964.db2.gz BMDKZFXFKMQPKP-UHFFFAOYSA-N 1 0 411.458 3.662 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065901461 968707314 /nfs/dbraw/zinc/70/73/14/968707314.db2.gz KEQSCQVKBRHXDK-LJQANCHMSA-N 1 0 406.486 3.578 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000065957237 968737307 /nfs/dbraw/zinc/73/73/07/968737307.db2.gz WIKHVNJPBPHSPS-UHFFFAOYSA-N 1 0 412.490 3.533 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)c3ccc([N+](=O)[O-])s3)cc2)C1 ZINC000066000636 968764395 /nfs/dbraw/zinc/76/43/95/968764395.db2.gz BAERQUMRCPDVEN-GJZGRUSLSA-N 1 0 423.560 3.613 20 5 HHBDRO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000071925084 968891111 /nfs/dbraw/zinc/89/11/11/968891111.db2.gz PRJOKGJVPVGZLR-UHFFFAOYSA-N 1 0 422.407 3.926 20 5 HHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000096955695 969063471 /nfs/dbraw/zinc/06/34/71/969063471.db2.gz YLACYSBMAXPYQN-CQSZACIVSA-N 1 0 419.445 3.628 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000538317936 1013846307 /nfs/dbraw/zinc/84/63/07/1013846307.db2.gz QTEAMIJAQBRNNG-VURMDHGXSA-N 1 0 415.515 3.572 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000105304990 969229544 /nfs/dbraw/zinc/22/95/44/969229544.db2.gz SCKKTQHZTXPEFI-UHFFFAOYSA-N 1 0 422.529 3.933 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)C[C@H](C)O1 ZINC000109874620 969582692 /nfs/dbraw/zinc/58/26/92/969582692.db2.gz YYZHIBJRCLVAIX-IYBDPMFKSA-N 1 0 422.485 3.615 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(OC)c1 ZINC000109890183 969587511 /nfs/dbraw/zinc/58/75/11/969587511.db2.gz IBGQDAWYTGOZEB-NRFANRHFSA-N 1 0 410.474 3.898 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000116415930 969892370 /nfs/dbraw/zinc/89/23/70/969892370.db2.gz WHTJJKMETODPHO-SYJIQKIWSA-N 1 0 417.531 3.989 20 5 HHBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000195684234 969954219 /nfs/dbraw/zinc/95/42/19/969954219.db2.gz QVZRQAKQXSXECC-NRFANRHFSA-N 1 0 412.490 3.602 20 5 HHBDRO C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000140453221 970077061 /nfs/dbraw/zinc/07/70/61/970077061.db2.gz QSFFWGGSGMLJHT-OAHLLOKOSA-N 1 0 417.893 3.913 20 5 HHBDRO CC1CC[NH+](C[C@@H](O)CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000236623091 970148161 /nfs/dbraw/zinc/14/81/61/970148161.db2.gz LKWYWYPZBMPIKT-IBGZPJMESA-N 1 0 417.481 3.709 20 5 HHBDRO COc1cc(C[NH2+]Cc2cccc(CO)c2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237110877 970224638 /nfs/dbraw/zinc/22/46/38/970224638.db2.gz LLQYEAPBUGJXJR-UHFFFAOYSA-N 1 0 408.454 3.965 20 5 HHBDRO COc1cc(C[NH2+]Cc2ccccc2CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237119873 970225574 /nfs/dbraw/zinc/22/55/74/970225574.db2.gz HNBUQDYIKGIFTH-UHFFFAOYSA-N 1 0 408.454 3.965 20 5 HHBDRO COc1ccc(C[NH2+]Cc2ccccc2CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237245295 970247734 /nfs/dbraw/zinc/24/77/34/970247734.db2.gz DEPSJPLOTKDMKV-UHFFFAOYSA-N 1 0 408.454 3.965 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](CO)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237246807 970248820 /nfs/dbraw/zinc/24/88/20/970248820.db2.gz QQEADLZGBPASBP-RUCARUNLSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC000237330362 970264419 /nfs/dbraw/zinc/26/44/19/970264419.db2.gz UHLHGVPZPYFKNV-OAHLLOKOSA-N 1 0 406.280 3.734 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000237371304 970272230 /nfs/dbraw/zinc/27/22/30/970272230.db2.gz IKCQJQKQGZNQMQ-KRWDZBQOSA-N 1 0 409.408 3.986 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC000237372361 970273024 /nfs/dbraw/zinc/27/30/24/970273024.db2.gz UHLHGVPZPYFKNV-HNNXBMFYSA-N 1 0 406.280 3.734 20 5 HHBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H](C)N1CCOCC1 ZINC000237406024 970278897 /nfs/dbraw/zinc/27/88/97/970278897.db2.gz DCTPMKRGAGNWPF-CVEARBPZSA-N 1 0 403.454 3.725 20 5 HHBDRO C[C@H]([C@H](C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000237556106 970312447 /nfs/dbraw/zinc/31/24/47/970312447.db2.gz DCTPMKRGAGNWPF-JKSUJKDBSA-N 1 0 403.454 3.725 20 5 HHBDRO Cn1cc(C[NH2+]CCc2ccn(-c3ccc(F)cc3)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237762257 970358495 /nfs/dbraw/zinc/35/84/95/970358495.db2.gz NJGFMVWJBKFZNF-UHFFFAOYSA-N 1 0 420.448 3.652 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000237773429 970363045 /nfs/dbraw/zinc/36/30/45/970363045.db2.gz YLCLXNSSFVABSC-CQSZACIVSA-N 1 0 410.879 3.565 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(OCc4ccncc4)cc3)C2)nc1 ZINC000237998901 970414031 /nfs/dbraw/zinc/41/40/31/970414031.db2.gz YCNZSEFWFBQVFO-IBGZPJMESA-N 1 0 405.458 3.650 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H](c3ccccc3)N3CCOCC3)cs2)c1 ZINC000238007731 970417416 /nfs/dbraw/zinc/41/74/16/970417416.db2.gz OXWBSGHIUMUECN-NRFANRHFSA-N 1 0 424.526 3.881 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)C2CCOCC2)ccc1Oc1ccccc1Cl ZINC000238063701 970431864 /nfs/dbraw/zinc/43/18/64/970431864.db2.gz LWWYJQJKBIREAM-SFHVURJKSA-N 1 0 406.866 3.918 20 5 HHBDRO COc1ccccc1[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000301070672 970733694 /nfs/dbraw/zinc/73/36/94/970733694.db2.gz HAOAYFDMOYQMPO-FQEVSTJZSA-N 1 0 423.473 3.891 20 5 HHBDRO COc1ccc([C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000301078501 970737500 /nfs/dbraw/zinc/73/75/00/970737500.db2.gz RKBGQLPBVZDICI-NRFANRHFSA-N 1 0 423.473 3.891 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000311834073 972629060 /nfs/dbraw/zinc/62/90/60/972629060.db2.gz SJCLTPWTFZDQSM-OAHLLOKOSA-N 1 0 418.291 3.609 20 5 HHBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(Br)c1 ZINC000382197720 972785397 /nfs/dbraw/zinc/78/53/97/972785397.db2.gz ZKTPMJRHWXQNRN-HOTGVXAUSA-N 1 0 417.307 3.711 20 5 HHBDRO COc1cccc(C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000410034439 973512952 /nfs/dbraw/zinc/51/29/52/973512952.db2.gz PYFCHVREKQJTPG-IBGZPJMESA-N 1 0 413.474 3.613 20 5 HHBDRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425969683 974075357 /nfs/dbraw/zinc/07/53/57/974075357.db2.gz ZKTMBRLHYRIGLF-UHFFFAOYSA-N 1 0 400.870 3.776 20 5 HHBDRO C[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000426009350 974125720 /nfs/dbraw/zinc/12/57/20/974125720.db2.gz GFEFDHAZQMQTNG-QGZVFWFLSA-N 1 0 408.502 3.716 20 5 HHBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H]1C ZINC000426265572 974357161 /nfs/dbraw/zinc/35/71/61/974357161.db2.gz HRJBMDBLVBHMFT-IUODEOHRSA-N 1 0 402.417 3.628 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccco1 ZINC000426316276 974391253 /nfs/dbraw/zinc/39/12/53/974391253.db2.gz DCJPSJSDVIWYAS-IBGZPJMESA-N 1 0 400.479 3.945 20 5 HHBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000427144868 974938686 /nfs/dbraw/zinc/93/86/86/974938686.db2.gz WHSGAVSGYKKVEX-IBGZPJMESA-N 1 0 411.502 3.882 20 5 HHBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccccc1 ZINC000428036641 975399501 /nfs/dbraw/zinc/39/95/01/975399501.db2.gz XGBOBQCJXFKFGH-INIZCTEOSA-N 1 0 422.485 3.767 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000428071477 975418335 /nfs/dbraw/zinc/41/83/35/975418335.db2.gz QGKUAYLEPJURDQ-OAQYLSRUSA-N 1 0 400.475 3.918 20 5 HHBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000428153167 975480493 /nfs/dbraw/zinc/48/04/93/975480493.db2.gz UKCMDZUOXZLWLP-LRDDRELGSA-N 1 0 405.296 3.826 20 5 HHBDRO COc1cc(C[N@H+](CC(C)(C)O)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000428398851 975720275 /nfs/dbraw/zinc/72/02/75/975720275.db2.gz GDKMUVMGBXLPMY-UHFFFAOYSA-N 1 0 400.475 3.918 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH2+]C2CCN(c3cccnn3)CC2)cc1[N+](=O)[O-] ZINC000428567804 975879035 /nfs/dbraw/zinc/87/90/35/975879035.db2.gz SHURTPYSIKOONA-UHFFFAOYSA-N 1 0 418.501 3.911 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)cc2[N+](=O)[O-])C1 ZINC000428727958 976014316 /nfs/dbraw/zinc/01/43/16/976014316.db2.gz ZQQSAHNBSVVKJX-KVPLUYHFSA-N 1 0 414.550 3.633 20 5 HHBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000429038220 976323622 /nfs/dbraw/zinc/32/36/22/976323622.db2.gz WEWCTOOXMOHFSO-FYYLOGMGSA-N 1 0 408.502 3.611 20 5 HHBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000429038227 976323687 /nfs/dbraw/zinc/32/36/87/976323687.db2.gz WEWCTOOXMOHFSO-GGAORHGYSA-N 1 0 408.502 3.611 20 5 HHBDRO C/C=C\c1ccc(OC[C@H](O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000429259216 976547505 /nfs/dbraw/zinc/54/75/05/976547505.db2.gz JMVBNOFNATYMDI-CTEOGUNLSA-N 1 0 400.475 3.901 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000430230448 977406061 /nfs/dbraw/zinc/40/60/61/977406061.db2.gz HWXLVGXDQLHRLQ-VGOFRKELSA-N 1 0 421.457 3.602 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000430645184 977665768 /nfs/dbraw/zinc/66/57/68/977665768.db2.gz ZSHXRNQVBNUEKB-XLIONFOSSA-N 1 0 419.485 3.563 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000430652763 977669489 /nfs/dbraw/zinc/66/94/89/977669489.db2.gz NZOMMFXOVBMXHR-RXVVDRJESA-N 1 0 422.529 3.978 20 5 HHBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000430765605 977741837 /nfs/dbraw/zinc/74/18/37/977741837.db2.gz FYFDAXZQINHIKM-FQEVSTJZSA-N 1 0 403.866 3.999 20 5 HHBDRO CCOc1cc(C(=O)N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)c([N+](=O)[O-])cc1OC ZINC000430839767 977793014 /nfs/dbraw/zinc/79/30/14/977793014.db2.gz PSXBZYMPYDRAIQ-WBVHZDCISA-N 1 0 407.511 3.633 20 5 HHBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431770909 978499449 /nfs/dbraw/zinc/49/94/49/978499449.db2.gz UOMNSRJSYXNJFE-HNNXBMFYSA-N 1 0 424.320 3.986 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000431773013 978501156 /nfs/dbraw/zinc/50/11/56/978501156.db2.gz UJZQLTKVNKMZHS-INIZCTEOSA-N 1 0 410.243 3.529 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431922497 978603079 /nfs/dbraw/zinc/60/30/79/978603079.db2.gz FKCWHJMNVOHEMB-ZENOOKHLSA-N 1 0 410.312 3.835 20 5 HHBDRO Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)ccc1OCC[NH+]1CCCC1 ZINC000432045710 978659693 /nfs/dbraw/zinc/65/96/93/978659693.db2.gz FWUAJGCFFFGMCH-UHFFFAOYSA-N 1 0 413.474 3.704 20 5 HHBDRO O=[N+]([O-])c1cccc2c(N3CCN([C@@H]4CC[N@H+](Cc5ccccc5)C4)CC3)ccnc21 ZINC000432147429 978693393 /nfs/dbraw/zinc/69/33/93/978693393.db2.gz GQODHXMKNHMQJS-HXUWFJFHSA-N 1 0 417.513 3.540 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432582710 978900511 /nfs/dbraw/zinc/90/05/11/978900511.db2.gz WSQJSPCAWCDJEC-INIZCTEOSA-N 1 0 409.552 3.574 20 5 HHBDRO CC1(C)C[C@H]([NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433147131 979099445 /nfs/dbraw/zinc/09/94/45/979099445.db2.gz NKEMDICEWUVUDW-NRFANRHFSA-N 1 0 419.485 3.942 20 5 HHBDRO O=C(CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccccc1[N+](=O)[O-] ZINC000433188468 979128960 /nfs/dbraw/zinc/12/89/60/979128960.db2.gz ACQXBMYSCUXWFW-UHFFFAOYSA-N 1 0 408.502 3.521 20 5 HHBDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433256642 979190270 /nfs/dbraw/zinc/19/02/70/979190270.db2.gz BAVMEKMQHNSWLD-LEWJYISDSA-N 1 0 406.486 3.745 20 5 HHBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)c([N+](=O)[O-])c1 ZINC000433312622 979230538 /nfs/dbraw/zinc/23/05/38/979230538.db2.gz RNHPFVTXWMTGKM-AWEZNQCLSA-N 1 0 418.291 3.521 20 5 HHBDRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000434000774 979747790 /nfs/dbraw/zinc/74/77/90/979747790.db2.gz DMXJZXVGTUBEGK-UHFFFAOYSA-N 1 0 410.902 3.652 20 5 HHBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000434318882 980081506 /nfs/dbraw/zinc/08/15/06/980081506.db2.gz VVKAEHOFIISSGP-HXUWFJFHSA-N 1 0 405.458 3.799 20 5 HHBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000434357460 980113196 /nfs/dbraw/zinc/11/31/96/980113196.db2.gz LJJTXHBSWAVMHC-MSOLQXFVSA-N 1 0 411.506 3.568 20 5 HHBDRO COc1ccc(NC(=O)CC[NH+]2CCC(F)(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000434492780 980209776 /nfs/dbraw/zinc/20/97/76/980209776.db2.gz JFWIMPFBCGMNPF-UHFFFAOYSA-N 1 0 401.438 3.893 20 5 HHBDRO CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434642138 980313832 /nfs/dbraw/zinc/31/38/32/980313832.db2.gz DLDSDKPXPAFKAF-UHFFFAOYSA-N 1 0 408.458 3.827 20 5 HHBDRO CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434648321 980317990 /nfs/dbraw/zinc/31/79/90/980317990.db2.gz YHXVIJOSNBKYTQ-UHFFFAOYSA-N 1 0 408.458 3.827 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCC(c3ncc4n3CCCC4)CC2)cccc1[N+](=O)[O-] ZINC000434682849 980336992 /nfs/dbraw/zinc/33/69/92/980336992.db2.gz BGCOGTBIWKTIHP-UHFFFAOYSA-N 1 0 411.506 3.644 20 5 HHBDRO Cn1cc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435058912 980603819 /nfs/dbraw/zinc/60/38/19/980603819.db2.gz GFKAXJJATNDJBY-UHFFFAOYSA-N 1 0 420.517 3.908 20 5 HHBDRO COc1ccc([C@H](CNC(=O)c2cccc(OC)c2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000435635977 980970000 /nfs/dbraw/zinc/97/00/00/980970000.db2.gz IGOOTQHIGNRSMT-IBGZPJMESA-N 1 0 413.474 3.569 20 5 HHBDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000435642038 980972145 /nfs/dbraw/zinc/97/21/45/980972145.db2.gz PSLCDJYGBPWBFO-UHFFFAOYSA-N 1 0 418.497 3.905 20 5 HHBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000435827023 981048522 /nfs/dbraw/zinc/04/85/22/981048522.db2.gz OKUPXTASLKAQBD-UHFFFAOYSA-N 1 0 403.457 3.812 20 5 HHBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000435936031 981101855 /nfs/dbraw/zinc/10/18/55/981101855.db2.gz FMCTZMHTUSBXTJ-UHFFFAOYSA-N 1 0 413.468 3.904 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436002591 981145568 /nfs/dbraw/zinc/14/55/68/981145568.db2.gz FMRYJSPERWKFBI-IYBDPMFKSA-N 1 0 409.505 3.918 20 5 HHBDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000436042146 981175663 /nfs/dbraw/zinc/17/56/63/981175663.db2.gz FJGSGAUJWVVSMZ-UHFFFAOYSA-N 1 0 420.513 3.675 20 5 HHBDRO C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[N@@H+]1CCCC[C@@H]1C ZINC000436096177 981197970 /nfs/dbraw/zinc/19/79/70/981197970.db2.gz FAQLULQELJFVDB-UONOGXRCSA-N 1 0 413.468 3.952 20 5 HHBDRO COc1ccc([C@@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000436266264 981276918 /nfs/dbraw/zinc/27/69/18/981276918.db2.gz NUIDMKASVWAZAI-CYBMUJFWSA-N 1 0 414.384 3.741 20 5 HHBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000436341094 981311423 /nfs/dbraw/zinc/31/14/23/981311423.db2.gz NVJKDCKAOOINMK-OAHLLOKOSA-N 1 0 410.396 3.577 20 5 HHBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C[C@H]1[NH+]1CCCC1 ZINC000436436734 981369151 /nfs/dbraw/zinc/36/91/51/981369151.db2.gz VSRPRZGBDCVXFN-RTBURBONSA-N 1 0 414.531 3.585 20 5 HHBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448218791 981633673 /nfs/dbraw/zinc/63/36/73/981633673.db2.gz WAHGKIQTGURALT-RXVVDRJESA-N 1 0 400.523 3.576 20 5 HHBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448407099 981760131 /nfs/dbraw/zinc/76/01/31/981760131.db2.gz YKPGUKFKYGLLRQ-MLGOLLRUSA-N 1 0 410.421 3.677 20 5 HHBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000437191816 981849228 /nfs/dbraw/zinc/84/92/28/981849228.db2.gz BLEAZZXSDRKCGA-WMZOPIPTSA-N 1 0 411.506 3.719 20 5 HHBDRO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000437457692 982090735 /nfs/dbraw/zinc/09/07/35/982090735.db2.gz FPJKKOJHYACNOZ-MRXNPFEDSA-N 1 0 401.894 3.914 20 5 HHBDRO C[C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000437468288 982098599 /nfs/dbraw/zinc/09/85/99/982098599.db2.gz OJKPYDFDAQNBOF-SFHVURJKSA-N 1 0 419.485 3.517 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000437606907 982228765 /nfs/dbraw/zinc/22/87/65/982228765.db2.gz RICFXWULDDEEHP-IBGZPJMESA-N 1 0 423.473 3.656 20 5 HHBDRO CCCOc1cc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])cc1OCCC ZINC000437615531 982235656 /nfs/dbraw/zinc/23/56/56/982235656.db2.gz PMMRXSJOCKIKFG-INIZCTEOSA-N 1 0 418.494 3.650 20 5 HHBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(C)C)[C@@H](C)C1 ZINC000460603326 982384552 /nfs/dbraw/zinc/38/45/52/982384552.db2.gz DYABKZWETKOCIC-LPHOPBHVSA-N 1 0 400.527 3.676 20 5 HHBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000437850235 982407430 /nfs/dbraw/zinc/40/74/30/982407430.db2.gz QHITVBOKQUTURJ-LJQANCHMSA-N 1 0 400.523 3.722 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000438019435 982527141 /nfs/dbraw/zinc/52/71/41/982527141.db2.gz ABIWBNXJDSZZKW-UHFFFAOYSA-N 1 0 423.391 3.823 20 5 HHBDRO Cc1c(CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000460858655 982603785 /nfs/dbraw/zinc/60/37/85/982603785.db2.gz SWTDHUXTQMUROI-LEWJYISDSA-N 1 0 408.502 3.567 20 5 HHBDRO CC1CC[NH+](C2CCC(NC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)CC2)CC1 ZINC000460951208 982685047 /nfs/dbraw/zinc/68/50/47/982685047.db2.gz VSCFAZPSXQLRAJ-UHFFFAOYSA-N 1 0 416.522 3.542 20 5 HHBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000438529280 982868296 /nfs/dbraw/zinc/86/82/96/982868296.db2.gz ITPTVBOWYNEALT-UHFFFAOYSA-N 1 0 412.309 3.623 20 5 HHBDRO COCCO[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000438552053 982892215 /nfs/dbraw/zinc/89/22/15/982892215.db2.gz HIRORGZKIJQHOZ-QFIPXVFZSA-N 1 0 422.485 3.685 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000438573280 982911483 /nfs/dbraw/zinc/91/14/83/982911483.db2.gz XUJMANUEDHLDFM-UHFFFAOYSA-N 1 0 403.504 3.690 20 5 HHBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461438942 983102665 /nfs/dbraw/zinc/10/26/65/983102665.db2.gz OAGXMSBBKMMQFX-MOPGFXCFSA-N 1 0 404.470 3.670 20 5 HHBDRO CSc1cccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000461447097 983112191 /nfs/dbraw/zinc/11/21/91/983112191.db2.gz KUAJAESSFSJYKL-MSOLQXFVSA-N 1 0 411.527 3.911 20 5 HHBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461455375 983121505 /nfs/dbraw/zinc/12/15/05/983121505.db2.gz JXYYMFLLOPIHAY-VQTJNVASSA-N 1 0 420.513 3.763 20 5 HHBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461456649 983123036 /nfs/dbraw/zinc/12/30/36/983123036.db2.gz PWYHDZFIUHSZRA-PKOBYXMFSA-N 1 0 405.454 3.935 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000439082838 983241820 /nfs/dbraw/zinc/24/18/20/983241820.db2.gz FHZAUGYSMONGDS-CYBMUJFWSA-N 1 0 403.870 3.990 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)[NH+]1CCCCC1 ZINC000439108125 983253455 /nfs/dbraw/zinc/25/34/55/983253455.db2.gz BQZCRQLWWAOPRK-NRFANRHFSA-N 1 0 411.502 3.798 20 5 HHBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000439440600 983410228 /nfs/dbraw/zinc/41/02/28/983410228.db2.gz OMROPVGXIPIXRF-BDJLRTHQSA-N 1 0 413.243 3.587 20 5 HHBDRO CCOC(=O)c1ccnc(N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000439703710 983509056 /nfs/dbraw/zinc/50/90/56/983509056.db2.gz FBLFUWRIPIJKPE-GOSISDBHSA-N 1 0 412.490 3.515 20 5 HHBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000439872740 983563867 /nfs/dbraw/zinc/56/38/67/983563867.db2.gz MSUJHMFGUSYCSS-ROUUACIJSA-N 1 0 417.531 3.655 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000439896113 983574742 /nfs/dbraw/zinc/57/47/42/983574742.db2.gz FZCYKZSFBYKKAG-UHFFFAOYSA-N 1 0 404.442 3.728 20 5 HHBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000440539030 983788547 /nfs/dbraw/zinc/78/85/47/983788547.db2.gz YJDUSPUJTUVZBI-FQEVSTJZSA-N 1 0 410.518 3.767 20 5 HHBDRO C[C@@H](O)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441228301 984126301 /nfs/dbraw/zinc/12/63/01/984126301.db2.gz JMZCDJKQNSRLEB-LSDHHAIUSA-N 1 0 405.882 3.501 20 5 HHBDRO C[C@@H](O)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)Cc1ccc(Cl)cc1 ZINC000441228300 984126522 /nfs/dbraw/zinc/12/65/22/984126522.db2.gz JMZCDJKQNSRLEB-HUUCEWRRSA-N 1 0 405.882 3.501 20 5 HHBDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000441379773 984219761 /nfs/dbraw/zinc/21/97/61/984219761.db2.gz DWTUYGKAMCMHCS-UTKZUKDTSA-N 1 0 407.474 3.766 20 5 HHBDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441384346 984223130 /nfs/dbraw/zinc/22/31/30/984223130.db2.gz NQQCDILROAXZBB-UTKZUKDTSA-N 1 0 407.474 3.766 20 5 HHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441402784 984233212 /nfs/dbraw/zinc/23/32/12/984233212.db2.gz JUKZDSTXRVXMGQ-PJIJBLCYSA-N 1 0 406.914 3.524 20 5 HHBDRO COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000441468707 984267533 /nfs/dbraw/zinc/26/75/33/984267533.db2.gz HERGDFJXVNKSKW-UZLBHIALSA-N 1 0 410.474 3.521 20 5 HHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000441534717 984308866 /nfs/dbraw/zinc/30/88/66/984308866.db2.gz QXLULSHRXICWDW-PMACEKPBSA-N 1 0 409.534 3.585 20 5 HHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000441534726 984308908 /nfs/dbraw/zinc/30/89/08/984308908.db2.gz QXLULSHRXICWDW-WOJBJXKFSA-N 1 0 409.534 3.585 20 5 HHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441659135 984379159 /nfs/dbraw/zinc/37/91/59/984379159.db2.gz OEMDHJUNEURRAU-IPJJNNNSSA-N 1 0 409.486 3.941 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1SC ZINC000462156972 985130423 /nfs/dbraw/zinc/13/04/23/985130423.db2.gz FHCOTBPCXFYRQO-RHSMWYFYSA-N 1 0 415.515 3.576 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000462288330 985275652 /nfs/dbraw/zinc/27/56/52/985275652.db2.gz JYISKFIAKLZMCY-CYBMUJFWSA-N 1 0 422.334 3.541 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000462418893 985391879 /nfs/dbraw/zinc/39/18/79/985391879.db2.gz QTFHNPDBZWGXFW-IBGZPJMESA-N 1 0 410.518 3.944 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC000462464626 985424482 /nfs/dbraw/zinc/42/44/82/985424482.db2.gz BLEKELUMHVWZCB-MRXNPFEDSA-N 1 0 402.520 3.672 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000462647546 985587846 /nfs/dbraw/zinc/58/78/46/985587846.db2.gz ZDETUMLWEHODNL-KRWDZBQOSA-N 1 0 412.490 3.670 20 5 HHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000468002062 985651412 /nfs/dbraw/zinc/65/14/12/985651412.db2.gz DWPIDIKTRQJLBX-UHFFFAOYSA-N 1 0 420.307 3.526 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000468006724 985658389 /nfs/dbraw/zinc/65/83/89/985658389.db2.gz SGYHGLJAESVEQV-MRXNPFEDSA-N 1 0 405.520 3.519 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000462767306 985704286 /nfs/dbraw/zinc/70/42/86/985704286.db2.gz KXZGSQWGOUDISZ-SFHVURJKSA-N 1 0 411.502 3.759 20 5 HHBDRO CC[NH+]1CCN(c2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc2)CC1 ZINC000468105355 985764932 /nfs/dbraw/zinc/76/49/32/985764932.db2.gz XYFDLOMSXSUNCZ-UHFFFAOYSA-N 1 0 410.518 3.788 20 5 HHBDRO COc1cc(OC)cc(N2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000468127804 985792216 /nfs/dbraw/zinc/79/22/16/985792216.db2.gz CHZVRAYCTFNAAV-UHFFFAOYSA-N 1 0 415.490 3.593 20 5 HHBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC(F)F ZINC000462931392 985868137 /nfs/dbraw/zinc/86/81/37/985868137.db2.gz LWVSINAFYZZALQ-UHFFFAOYSA-N 1 0 410.396 3.569 20 5 HHBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443726068 985936424 /nfs/dbraw/zinc/93/64/24/985936424.db2.gz VHGJKLFGEWBDIX-UHFFFAOYSA-N 1 0 415.943 3.525 20 5 HHBDRO NC(=O)[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])Cc1ccccc1Cl ZINC000468473923 986168316 /nfs/dbraw/zinc/16/83/16/986168316.db2.gz BGFNVHQMEYRASF-XKGZKEIXSA-N 1 0 415.921 3.893 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000463212641 986184206 /nfs/dbraw/zinc/18/42/06/986184206.db2.gz MMUCWPRCQACVPL-OBUJGBQQSA-N 1 0 403.523 3.883 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000444028052 986222511 /nfs/dbraw/zinc/22/25/11/986222511.db2.gz GKTCCOANPYPZDN-GOSISDBHSA-N 1 0 413.474 3.569 20 5 HHBDRO C[NH+](C)C1(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc2C1 ZINC000444078186 986279659 /nfs/dbraw/zinc/27/96/59/986279659.db2.gz CYWFQQHSQCCPOC-UHFFFAOYSA-N 1 0 411.505 3.510 20 5 HHBDRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000468596253 986306679 /nfs/dbraw/zinc/30/66/79/986306679.db2.gz KSDWGZXXUJLRFO-UHFFFAOYSA-N 1 0 401.444 3.820 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000463386212 986353675 /nfs/dbraw/zinc/35/36/75/986353675.db2.gz BSNNOWDBDGRNKK-GOSISDBHSA-N 1 0 410.518 3.722 20 5 HHBDRO Cc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1NC(=O)CC[NH+](C)C ZINC000468874748 986582361 /nfs/dbraw/zinc/58/23/61/986582361.db2.gz FWDORRKBZYCIPH-UHFFFAOYSA-N 1 0 409.446 3.527 20 5 HHBDRO Cc1cc(Br)ccc1C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000444698906 986873492 /nfs/dbraw/zinc/87/34/92/986873492.db2.gz DHULLFNKLDOJPE-MRXNPFEDSA-N 1 0 409.280 3.537 20 5 HHBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Br)s1 ZINC000444760379 986922537 /nfs/dbraw/zinc/92/25/37/986922537.db2.gz KDTYUZNDYILYLZ-JTQLQIEISA-N 1 0 410.293 3.659 20 5 HHBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000469217232 986939813 /nfs/dbraw/zinc/93/98/13/986939813.db2.gz DXRKHQVKQGHUJW-KRWDZBQOSA-N 1 0 424.501 3.593 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c([N+](=O)[O-])c1 ZINC000469453407 987139731 /nfs/dbraw/zinc/13/97/31/987139731.db2.gz YQESLASSKQJICK-CYBMUJFWSA-N 1 0 405.401 3.700 20 5 HHBDRO C[NH+](C)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1cccc(C(F)(F)F)c1 ZINC000469544421 987216510 /nfs/dbraw/zinc/21/65/10/987216510.db2.gz IQJNKWUDFQGOET-MRXNPFEDSA-N 1 0 405.380 4.272 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469790843 987435271 /nfs/dbraw/zinc/43/52/71/987435271.db2.gz MDEFIKYFHJHBNW-CYGODWOOSA-N 1 0 410.518 3.588 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000445577619 987643164 /nfs/dbraw/zinc/64/31/64/987643164.db2.gz ULZQOECYGPVPLV-KRWDZBQOSA-N 1 0 408.458 3.957 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000463916949 988025296 /nfs/dbraw/zinc/02/52/96/988025296.db2.gz WFZNPBLJDBHYJC-IFXJQAMLSA-N 1 0 403.454 3.926 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000463916948 988025721 /nfs/dbraw/zinc/02/57/21/988025721.db2.gz WFZNPBLJDBHYJC-AUUYWEPGSA-N 1 0 403.454 3.926 20 5 HHBDRO CCOC(=O)[C@@](C)(C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000470155501 988065334 /nfs/dbraw/zinc/06/53/34/988065334.db2.gz YJBCQOYUXVKMSC-QHCPKHFHSA-N 1 0 422.485 3.606 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000463954308 988065538 /nfs/dbraw/zinc/06/55/38/988065538.db2.gz JHXISZORJSZHQG-IAGOWNOFSA-N 1 0 404.511 3.565 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000464323776 988458417 /nfs/dbraw/zinc/45/84/17/988458417.db2.gz JGFWAZYUVJWGND-FXAWDEMLSA-N 1 0 414.550 3.825 20 5 HHBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000464345515 988492783 /nfs/dbraw/zinc/49/27/83/988492783.db2.gz ZHBYHNVCAZNACD-AWEZNQCLSA-N 1 0 415.412 3.530 20 5 HHBDRO CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470672583 988694975 /nfs/dbraw/zinc/69/49/75/988694975.db2.gz WISDSXSGAIBMOA-OAQYLSRUSA-N 1 0 419.485 3.517 20 5 HHBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000464568576 988745473 /nfs/dbraw/zinc/74/54/73/988745473.db2.gz LMGZJPMHOJYEOV-SFHVURJKSA-N 1 0 402.539 3.635 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000464599800 988781562 /nfs/dbraw/zinc/78/15/62/988781562.db2.gz DGMZTYOLWJODSN-CYBMUJFWSA-N 1 0 403.483 3.543 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000464608472 988790130 /nfs/dbraw/zinc/79/01/30/988790130.db2.gz MYFZVTZLDPGZMA-JSGCOSHPSA-N 1 0 403.483 3.541 20 5 HHBDRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464642302 988820425 /nfs/dbraw/zinc/82/04/25/988820425.db2.gz KFRDVSCKVASFMP-UHFFFAOYSA-N 1 0 423.513 3.877 20 5 HHBDRO CC[N@H+](C)C[C@@H]1CCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000464788806 989020476 /nfs/dbraw/zinc/02/04/76/989020476.db2.gz BZXKJTPUHCIFCR-PGRDOPGGSA-N 1 0 410.518 3.857 20 5 HHBDRO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CCN(c2ccccn2)CC1 ZINC000464812341 989046394 /nfs/dbraw/zinc/04/63/94/989046394.db2.gz XBKGFGCGGXYJKA-UHFFFAOYSA-N 1 0 422.489 3.778 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000471019151 989089974 /nfs/dbraw/zinc/08/99/74/989089974.db2.gz OUPNLRMLBYTTIK-JOCHJYFZSA-N 1 0 411.502 3.994 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000464848825 989100306 /nfs/dbraw/zinc/10/03/06/989100306.db2.gz XTVFDXAIUHPLST-UYAOXDASSA-N 1 0 410.518 3.684 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471297082 989458740 /nfs/dbraw/zinc/45/87/40/989458740.db2.gz ITGQXHFPWDROAH-NVXWUHKLSA-N 1 0 417.893 3.654 20 5 HHBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000471377365 989553764 /nfs/dbraw/zinc/55/37/64/989553764.db2.gz JEUVSGNXFOZHFQ-LLVKDONJSA-N 1 0 414.293 3.547 20 5 HHBDRO CC(C)(C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000471394413 989572421 /nfs/dbraw/zinc/57/24/21/989572421.db2.gz NVXDQLZGBLKGHS-HDICACEKSA-N 1 0 411.477 3.602 20 5 HHBDRO C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H](c1ccccc1)[NH+](C)C ZINC000471540775 989740041 /nfs/dbraw/zinc/74/00/41/989740041.db2.gz VASHYWCAWJKHMI-IQGLISFBSA-N 1 0 413.521 3.962 20 5 HHBDRO CC(C)[NH+](CCNC(=O)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)C(C)C ZINC000471542535 989741671 /nfs/dbraw/zinc/74/16/71/989741671.db2.gz OAVYHGBYLNLUMY-UHFFFAOYSA-N 1 0 410.946 3.700 20 5 HHBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471910222 990077921 /nfs/dbraw/zinc/07/79/21/990077921.db2.gz HUDJPIGPZWGSOP-SZPZYZBQSA-N 1 0 422.529 3.691 20 5 HHBDRO C[C@@H]1CCC[C@@](CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)([NH+](C)C)C1 ZINC000465713574 990099003 /nfs/dbraw/zinc/09/90/03/990099003.db2.gz DAXKBUAZKAJOAW-VGOFRKELSA-N 1 0 418.538 3.658 20 5 HHBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465743850 990128661 /nfs/dbraw/zinc/12/86/61/990128661.db2.gz VPQWHKTYGQBIAG-FGTMMUONSA-N 1 0 418.538 3.514 20 5 HHBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465879559 990997380 /nfs/dbraw/zinc/99/73/80/990997380.db2.gz ZNQRQWHOIZNWPQ-LJQANCHMSA-N 1 0 418.538 3.802 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[NH+]2CCCC2)o1 ZINC000466222711 991439365 /nfs/dbraw/zinc/43/93/65/991439365.db2.gz HKZNYABOSCQOQJ-QGZVFWFLSA-N 1 0 406.870 3.786 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000466293035 991542756 /nfs/dbraw/zinc/54/27/56/991542756.db2.gz JFYKDXVFYJYVRG-UHFFFAOYSA-N 1 0 405.907 3.727 20 5 HHBDRO COCc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)o1 ZINC000467028923 992336899 /nfs/dbraw/zinc/33/68/99/992336899.db2.gz NZOZBCLXKCWYFY-QGZVFWFLSA-N 1 0 403.435 3.509 20 5 HHBDRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000467351814 992670514 /nfs/dbraw/zinc/67/05/14/992670514.db2.gz CRSYTWDGBCJCDW-CYBMUJFWSA-N 1 0 416.421 3.608 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000467407857 992713901 /nfs/dbraw/zinc/71/39/01/992713901.db2.gz OWPWXUCJVQLNBS-CQSZACIVSA-N 1 0 411.911 3.576 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C[N@@H+]1Cc1ccccc1 ZINC000467696046 992952693 /nfs/dbraw/zinc/95/26/93/992952693.db2.gz SVWQCPCKDPDADS-UKRRQHHQSA-N 1 0 418.291 3.750 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000467717539 992970680 /nfs/dbraw/zinc/97/06/80/992970680.db2.gz DBQHBPQSZFKYEX-JLTOFOAXSA-N 1 0 411.458 3.608 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000467719686 992972500 /nfs/dbraw/zinc/97/25/00/992972500.db2.gz DTIGAXJDSDIWRC-ABAIWWIYSA-N 1 0 418.544 3.723 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000467719688 992972790 /nfs/dbraw/zinc/97/27/90/992972790.db2.gz DTIGAXJDSDIWRC-NHYWBVRUSA-N 1 0 418.544 3.723 20 5 HHBDRO COc1ccc2c(c1)[C@H]([N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1)CCO2 ZINC000472234861 993263514 /nfs/dbraw/zinc/26/35/14/993263514.db2.gz UALMJFAOGQLRHT-OAQYLSRUSA-N 1 0 408.458 3.826 20 5 HHBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472488065 993490247 /nfs/dbraw/zinc/49/02/47/993490247.db2.gz ORDLFTDDPLWDGP-GOSISDBHSA-N 1 0 416.909 3.783 20 5 HHBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000480738181 993604636 /nfs/dbraw/zinc/60/46/36/993604636.db2.gz QRKUWGZZPPEJMB-YJBOKZPZSA-N 1 0 421.906 3.553 20 5 HHBDRO Cc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)N2CCOCC2)cc1 ZINC000480907412 993764352 /nfs/dbraw/zinc/76/43/52/993764352.db2.gz DEVROURKUOLKES-UPVQGACJSA-N 1 0 409.530 3.887 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C ZINC000480989359 993830887 /nfs/dbraw/zinc/83/08/87/993830887.db2.gz YGYRARMIBPAYMM-QAPCUYQASA-N 1 0 423.560 3.635 20 5 HHBDRO Cc1ccc(C)c(S(=O)(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000481020698 993864037 /nfs/dbraw/zinc/86/40/37/993864037.db2.gz HWFKPMRNKOUEOQ-QGZVFWFLSA-N 1 0 417.531 3.716 20 5 HHBDRO Cc1ccc(C)c(S(=O)(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000481020694 993864308 /nfs/dbraw/zinc/86/43/08/993864308.db2.gz HWFKPMRNKOUEOQ-KRWDZBQOSA-N 1 0 417.531 3.716 20 5 HHBDRO CC(C)c1ccc(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000473180062 994045586 /nfs/dbraw/zinc/04/55/86/994045586.db2.gz BYPTWUQIIUSOOL-CALCHBBNSA-N 1 0 403.523 3.680 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000481360235 994186827 /nfs/dbraw/zinc/18/68/27/994186827.db2.gz OELZUISAWZYDRW-IBGZPJMESA-N 1 0 416.478 3.815 20 5 HHBDRO COC(=O)[C@@H]1CCCCCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000481401276 994234280 /nfs/dbraw/zinc/23/42/80/994234280.db2.gz IXDKOCVYQWZPQU-QZTJIDSGSA-N 1 0 401.463 3.894 20 5 HHBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000481658450 994520645 /nfs/dbraw/zinc/52/06/45/994520645.db2.gz ONPDMRSDSSOOOC-UHFFFAOYSA-N 1 0 400.454 3.825 20 5 HHBDRO C[N@@H+]1CCC[C@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])CC[C@@H]21 ZINC000481984972 994882763 /nfs/dbraw/zinc/88/27/63/994882763.db2.gz OLZIEVFSCPRUOT-LRDDRELGSA-N 1 0 405.296 3.826 20 5 HHBDRO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000482007385 994911667 /nfs/dbraw/zinc/91/16/67/994911667.db2.gz JRVKFNLEFGHGAL-IBGZPJMESA-N 1 0 405.458 3.747 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000474003963 994993602 /nfs/dbraw/zinc/99/36/02/994993602.db2.gz ACLWYXBYQNXGHH-INIZCTEOSA-N 1 0 420.849 3.804 20 5 HHBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[NH+](C2CCCCC2)CC1 ZINC000482062668 994994443 /nfs/dbraw/zinc/99/44/43/994994443.db2.gz RXILDMTXXSKPIR-UHFFFAOYSA-N 1 0 400.504 3.809 20 5 HHBDRO O=C(C1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1)N1CCSCC1 ZINC000482104522 995050916 /nfs/dbraw/zinc/05/09/16/995050916.db2.gz XPEJCAUCWWSUOT-LYBXBRPPSA-N 1 0 417.575 3.640 20 5 HHBDRO CCc1cc(N2CC[C@@H](OCC[NH+](CC)CC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000474160309 995144755 /nfs/dbraw/zinc/14/47/55/995144755.db2.gz QIRQFGNCYANNJK-HXUWFJFHSA-N 1 0 413.522 3.551 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] ZINC000474347711 995327437 /nfs/dbraw/zinc/32/74/37/995327437.db2.gz FFCPRWHYGJXSHN-UHFFFAOYSA-N 1 0 424.375 3.944 20 5 HHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1Oc1ccccc1 ZINC000482500942 995510852 /nfs/dbraw/zinc/51/08/52/995510852.db2.gz AMJVZJZCBIOANV-BTIFBSDPSA-N 1 0 413.474 3.527 20 5 HHBDRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000482501763 995511900 /nfs/dbraw/zinc/51/19/00/995511900.db2.gz CTIRLHPBZKMFNA-DLBZAZTESA-N 1 0 404.488 3.866 20 5 HHBDRO COc1ccccc1OC[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000482664705 995656195 /nfs/dbraw/zinc/65/61/95/995656195.db2.gz QKXFRPORUKPJBY-MRXNPFEDSA-N 1 0 410.474 3.809 20 5 HHBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1CC[NH+](C2CCCC2)CC1 ZINC000482729237 995712018 /nfs/dbraw/zinc/71/20/18/995712018.db2.gz UIEFYIHCLPDJCQ-UHFFFAOYSA-N 1 0 403.526 3.678 20 5 HHBDRO Cc1c(C[N@H+]2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)cccc1[N+](=O)[O-] ZINC000482892276 995822451 /nfs/dbraw/zinc/82/24/51/995822451.db2.gz YHFZZXDBMNQIQE-UHFFFAOYSA-N 1 0 405.454 3.722 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000482963100 995884719 /nfs/dbraw/zinc/88/47/19/995884719.db2.gz RCXPYYBZOLRZMV-GFCCVEGCSA-N 1 0 407.268 3.740 20 5 HHBDRO CCC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC000475084340 995911234 /nfs/dbraw/zinc/91/12/34/995911234.db2.gz CPXXNZHVJOOTJT-GOSISDBHSA-N 1 0 413.474 3.831 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000475122537 995936389 /nfs/dbraw/zinc/93/63/89/995936389.db2.gz VWYQSBQFULELAB-BEFAXECRSA-N 1 0 414.458 3.738 20 5 HHBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000475131063 995942144 /nfs/dbraw/zinc/94/21/44/995942144.db2.gz SKMRKFYVAMEUHA-QFIPXVFZSA-N 1 0 400.475 3.919 20 5 HHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000475202917 995994228 /nfs/dbraw/zinc/99/42/28/995994228.db2.gz BONFAKUBGQGPPR-UHFFFAOYSA-N 1 0 419.226 3.725 20 5 HHBDRO CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475318128 996067391 /nfs/dbraw/zinc/06/73/91/996067391.db2.gz OQDWFPHDMKJUQG-NRFANRHFSA-N 1 0 422.529 3.544 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000475354430 996086344 /nfs/dbraw/zinc/08/63/44/996086344.db2.gz RYDAULMMFQFMNM-AEFFLSMTSA-N 1 0 402.422 3.712 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483417038 996164657 /nfs/dbraw/zinc/16/46/57/996164657.db2.gz XYJIRAOWBFHYHS-OAQYLSRUSA-N 1 0 401.438 3.735 20 5 HHBDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000475508670 996189489 /nfs/dbraw/zinc/18/94/89/996189489.db2.gz NOVGPHWPRJAJFU-UHFFFAOYSA-N 1 0 408.458 3.957 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000475511621 996191725 /nfs/dbraw/zinc/19/17/25/996191725.db2.gz VOIGZMXXTQDMEB-NEPJUHHUSA-N 1 0 407.268 3.820 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@](C)(OC)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475564441 996220987 /nfs/dbraw/zinc/22/09/87/996220987.db2.gz YFYJATPQLGNLQZ-KRWDZBQOSA-N 1 0 406.401 3.936 20 5 HHBDRO COC(=O)COc1ccc(C[N@H+](C)Cc2csc3ccccc23)cc1[N+](=O)[O-] ZINC000475568059 996223100 /nfs/dbraw/zinc/22/31/00/996223100.db2.gz ZYQOXLDMVDUZLD-UHFFFAOYSA-N 1 0 400.456 3.993 20 5 HHBDRO COc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000476058801 996572030 /nfs/dbraw/zinc/57/20/30/996572030.db2.gz DWMKSLAMBGVWHW-HNNXBMFYSA-N 1 0 423.391 3.627 20 5 HHBDRO Cc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n(C2CC[NH+](C)CC2)n1 ZINC000484291421 996682814 /nfs/dbraw/zinc/68/28/14/996682814.db2.gz NWWLJGJJUZDYGV-UHFFFAOYSA-N 1 0 412.494 3.563 20 5 HHBDRO COc1ccccc1-c1nc(C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000484293347 996684065 /nfs/dbraw/zinc/68/40/65/996684065.db2.gz KRHINUIFFGLPLS-UHFFFAOYSA-N 1 0 424.457 3.912 20 5 HHBDRO C[NH+](C)Cc1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1F ZINC000476368413 996800838 /nfs/dbraw/zinc/80/08/38/996800838.db2.gz UZBSZWNMQCZLTF-UHFFFAOYSA-N 1 0 400.454 3.670 20 5 HHBDRO CCCOc1ccc(O[C@H]2CCCC[C@H]2[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000484631473 996965996 /nfs/dbraw/zinc/96/59/96/996965996.db2.gz INMIUAOXEGGIHY-RTWAWAEBSA-N 1 0 415.490 3.525 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000484640537 996975130 /nfs/dbraw/zinc/97/51/30/996975130.db2.gz HHDJEKSMJRRAJF-UYAOXDASSA-N 1 0 413.474 3.830 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc1SC ZINC000484706798 997045136 /nfs/dbraw/zinc/04/51/36/997045136.db2.gz LLWKANSDDXJRSN-KRWDZBQOSA-N 1 0 409.552 3.812 20 5 HHBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000484905159 997276044 /nfs/dbraw/zinc/27/60/44/997276044.db2.gz FSDCCEISWVLTHV-KRWDZBQOSA-N 1 0 417.456 3.834 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1SC ZINC000484959203 997336849 /nfs/dbraw/zinc/33/68/49/997336849.db2.gz NFBPTWMRZZGIML-GOSISDBHSA-N 1 0 415.515 3.892 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000477054251 997697580 /nfs/dbraw/zinc/69/75/80/997697580.db2.gz BKMKYQHZFXJPOF-XMMPIXPASA-N 1 0 422.529 3.830 20 5 HHBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000485817528 998285084 /nfs/dbraw/zinc/28/50/84/998285084.db2.gz PZVLSRLCUIEERC-UHFFFAOYSA-N 1 0 407.474 3.504 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])c1 ZINC000485831259 998297147 /nfs/dbraw/zinc/29/71/47/998297147.db2.gz GNFTXXAAUSIDPM-NEPJUHHUSA-N 1 0 400.460 3.891 20 5 HHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000477607406 998324756 /nfs/dbraw/zinc/32/47/56/998324756.db2.gz ARGJIEBDYLLAQF-GJZGRUSLSA-N 1 0 409.914 3.518 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[NH+]2CCCC2)cc1 ZINC000486000709 998444499 /nfs/dbraw/zinc/44/44/99/998444499.db2.gz HKXDXDVRMFJRTG-HXUWFJFHSA-N 1 0 403.429 3.677 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[NH+]2CCCC2)cc1 ZINC000486000708 998444651 /nfs/dbraw/zinc/44/46/51/998444651.db2.gz HKXDXDVRMFJRTG-FQEVSTJZSA-N 1 0 403.429 3.677 20 5 HHBDRO C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000486189733 998631867 /nfs/dbraw/zinc/63/18/67/998631867.db2.gz CKEJEDWXRQTRFT-CYBMUJFWSA-N 1 0 420.872 3.630 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000486474450 998785774 /nfs/dbraw/zinc/78/57/74/998785774.db2.gz XPQFWYRPFNDAON-UJNIQMNXSA-N 1 0 418.457 3.502 20 5 HHBDRO CC[NH+](CC)[C@@H](CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000478290490 998868013 /nfs/dbraw/zinc/86/80/13/998868013.db2.gz LQANZANGEUAKTC-KRWDZBQOSA-N 1 0 406.870 3.925 20 5 HHBDRO CSc1cccc(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000486687584 998892696 /nfs/dbraw/zinc/89/26/96/998892696.db2.gz KLBMEUNUVUABIW-HZPDHXFCSA-N 1 0 421.563 3.668 20 5 HHBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@@H]1[NH+](C)C ZINC000478448013 998964540 /nfs/dbraw/zinc/96/45/40/998964540.db2.gz IPCOGNYGDZUCPB-PKOBYXMFSA-N 1 0 401.488 3.505 20 5 HHBDRO C[C@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000478722415 999107552 /nfs/dbraw/zinc/10/75/52/999107552.db2.gz JZTIWEHITHELMN-UONOGXRCSA-N 1 0 416.444 3.795 20 5 HHBDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000487333354 999137972 /nfs/dbraw/zinc/13/79/72/999137972.db2.gz AABAWDRAODWYJK-UHFFFAOYSA-N 1 0 411.487 3.756 20 5 HHBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487587673 999220005 /nfs/dbraw/zinc/22/00/05/999220005.db2.gz HAHSEQKINXEGHA-GOSISDBHSA-N 1 0 415.515 3.587 20 5 HHBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 ZINC000488255670 999411978 /nfs/dbraw/zinc/41/19/78/999411978.db2.gz WVWXWHXUTRWZNY-UHFFFAOYSA-N 1 0 423.579 3.962 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000488458584 999492567 /nfs/dbraw/zinc/49/25/67/999492567.db2.gz NIBLSACTWXXLII-YWZLYKJASA-N 1 0 401.894 3.818 20 5 HHBDRO C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488563077 999529011 /nfs/dbraw/zinc/52/90/11/999529011.db2.gz UNFUNCUWTSGOFS-XLIONFOSSA-N 1 0 408.502 3.573 20 5 HHBDRO COC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)cc1 ZINC000488696092 999576996 /nfs/dbraw/zinc/57/69/96/999576996.db2.gz JBXVGQKMXRBJJM-QGZVFWFLSA-N 1 0 407.854 3.563 20 5 HHBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488718551 999587027 /nfs/dbraw/zinc/58/70/27/999587027.db2.gz VGLOXCJDIXDQTK-QJPTWQEYSA-N 1 0 408.371 3.810 20 5 HHBDRO CC(C)(NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000488849630 999626803 /nfs/dbraw/zinc/62/68/03/999626803.db2.gz GQCLUMNHPWPEGK-LJQANCHMSA-N 1 0 410.518 3.694 20 5 HHBDRO CC(C)(NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000488849629 999626812 /nfs/dbraw/zinc/62/68/12/999626812.db2.gz GQCLUMNHPWPEGK-IBGZPJMESA-N 1 0 410.518 3.694 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000488979461 999662971 /nfs/dbraw/zinc/66/29/71/999662971.db2.gz XRTVYOICLJWKLT-UHFFFAOYSA-N 1 0 421.563 3.718 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1)CC1CC1 ZINC000480072870 999709626 /nfs/dbraw/zinc/70/96/26/999709626.db2.gz LXSXNBWMNKVWHC-UHFFFAOYSA-N 1 0 402.539 3.947 20 5 HHBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000480123514 999723290 /nfs/dbraw/zinc/72/32/90/999723290.db2.gz KUGAFVAHUWZAOJ-UHFFFAOYSA-N 1 0 423.517 3.852 20 5 HHBDRO Cc1nc(CN(C)[C@H]2CCCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)no1 ZINC000480212784 999746868 /nfs/dbraw/zinc/74/68/68/999746868.db2.gz ZHMUZTDSLVIBDK-INIZCTEOSA-N 1 0 410.478 3.634 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)cc2[N+](=O)[O-])n1 ZINC000489333269 999747544 /nfs/dbraw/zinc/74/75/44/999747544.db2.gz GGUAZMMQFAUSBI-MRXNPFEDSA-N 1 0 420.560 3.923 20 5 HHBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000489409723 999760888 /nfs/dbraw/zinc/76/08/88/999760888.db2.gz PVFJMENFDHSZSH-UHFFFAOYSA-N 1 0 407.417 3.966 20 5 HHBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000489551521 999790546 /nfs/dbraw/zinc/79/05/46/999790546.db2.gz PFECQQYJHHOJEB-UHFFFAOYSA-N 1 0 403.504 3.862 20 5 HHBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000489620126 999804006 /nfs/dbraw/zinc/80/40/06/999804006.db2.gz IQTHAKYOSULNKN-DOTOQJQBSA-N 1 0 421.906 3.553 20 5 HHBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000480515619 999816370 /nfs/dbraw/zinc/81/63/70/999816370.db2.gz RWQFKYRSRIANDN-OAHLLOKOSA-N 1 0 406.508 3.538 20 5 HHBDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cn2)C[C@H](C)O1 ZINC000480608159 999839608 /nfs/dbraw/zinc/83/96/08/999839608.db2.gz GDVLYBPFIFVFCA-FVJLSDCUSA-N 1 0 410.518 3.714 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480662073 999853692 /nfs/dbraw/zinc/85/36/92/999853692.db2.gz LPCBRRSKLNBXNA-SPLOXXLWSA-N 1 0 411.437 3.564 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480662074 999853724 /nfs/dbraw/zinc/85/37/24/999853724.db2.gz LPCBRRSKLNBXNA-SZNDQCEHSA-N 1 0 411.437 3.564 20 5 HHBDRO COc1cccc([C@H](CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000489892900 999856917 /nfs/dbraw/zinc/85/69/17/999856917.db2.gz SMHQMDBBVIHSBD-QRWLVFNGSA-N 1 0 400.479 3.575 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC)[C@@H](C)C1 ZINC000489980909 999872668 /nfs/dbraw/zinc/87/26/68/999872668.db2.gz KROYARBRYREZFE-MAUKXSAKSA-N 1 0 409.552 3.574 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000489988942 999873636 /nfs/dbraw/zinc/87/36/36/999873636.db2.gz MPEFOYKHKMKUBX-OAHLLOKOSA-N 1 0 421.494 3.546 20 5 HHBDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000490091912 999892136 /nfs/dbraw/zinc/89/21/36/999892136.db2.gz IJPBARSTPKVXEX-GOSISDBHSA-N 1 0 419.865 3.866 20 5 HHBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490227378 999915470 /nfs/dbraw/zinc/91/54/70/999915470.db2.gz OLZOSPUPTIORKL-GOEBONIOSA-N 1 0 419.428 3.837 20 5 HHBDRO O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000490401527 999951867 /nfs/dbraw/zinc/95/18/67/999951867.db2.gz SPGRHIRGIWIDJY-UHFFFAOYSA-N 1 0 406.446 3.618 20 5 HHBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490843027 1000014961 /nfs/dbraw/zinc/01/49/61/1000014961.db2.gz NWLMLPIHSIRXPL-MAUKXSAKSA-N 1 0 401.894 3.818 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000490989894 1000031034 /nfs/dbraw/zinc/03/10/34/1000031034.db2.gz UKJXQWMLVQETPZ-KRWDZBQOSA-N 1 0 423.517 3.889 20 5 HHBDRO COc1cc(CN2CCC[C@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491137874 1000049098 /nfs/dbraw/zinc/04/90/98/1000049098.db2.gz QNBUGKOXIPNTNK-INIZCTEOSA-N 1 0 413.465 3.698 20 5 HHBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(SC)c(OC)c2)c([N+](=O)[O-])c1 ZINC000492248198 1000117842 /nfs/dbraw/zinc/11/78/42/1000117842.db2.gz BJVNMWJCJABDQR-UHFFFAOYSA-N 1 0 419.503 3.795 20 5 HHBDRO Cc1ccc(C[NH+]2CCCC2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000493103592 1000157607 /nfs/dbraw/zinc/15/76/07/1000157607.db2.gz GRFGBOAZVJVMDU-UHFFFAOYSA-N 1 0 403.504 3.917 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(c2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000493281188 1000167360 /nfs/dbraw/zinc/16/73/60/1000167360.db2.gz OOJQAQAONPCWSJ-UHFFFAOYSA-N 1 0 403.504 3.501 20 5 HHBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)CC[C@@H]21 ZINC000493933426 1000223665 /nfs/dbraw/zinc/22/36/65/1000223665.db2.gz RUZQFUCEFSHVHG-GCJKJVERSA-N 1 0 408.502 3.763 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000493999692 1000260550 /nfs/dbraw/zinc/26/05/50/1000260550.db2.gz LHWLHGYUTAUBCB-UYAOXDASSA-N 1 0 405.401 3.630 20 5 HHBDRO C[C@@H]1[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000494046868 1000282460 /nfs/dbraw/zinc/28/24/60/1000282460.db2.gz HFDVBWCWQJPRIM-DYVFJYSZSA-N 1 0 418.291 3.750 20 5 HHBDRO CCOc1ccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000504894633 1000433561 /nfs/dbraw/zinc/43/35/61/1000433561.db2.gz NFGRZDMNQZGHPJ-WMQCIHAUSA-N 1 0 413.518 3.527 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000504905286 1000439462 /nfs/dbraw/zinc/43/94/62/1000439462.db2.gz GEYHERLSFCCLCX-KRWDZBQOSA-N 1 0 408.545 3.800 20 5 HHBDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000494455532 1000501331 /nfs/dbraw/zinc/50/13/31/1000501331.db2.gz OMEQSZAHPSKTEA-UHFFFAOYSA-N 1 0 403.504 3.583 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000494480180 1000515219 /nfs/dbraw/zinc/51/52/19/1000515219.db2.gz QYYVIPFFQVJJDV-CQSZACIVSA-N 1 0 418.444 3.506 20 5 HHBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000505110684 1000555182 /nfs/dbraw/zinc/55/51/82/1000555182.db2.gz PXZXTFKAGHBJIO-UHFFFAOYSA-N 1 0 420.351 3.635 20 5 HHBDRO COc1cc(C[NH2+]CCc2ccc3c(c2)CCO3)c([N+](=O)[O-])cc1OCC(F)F ZINC000494650161 1000588606 /nfs/dbraw/zinc/58/86/06/1000588606.db2.gz RZZQEJNGTUJKCB-UHFFFAOYSA-N 1 0 408.401 3.515 20 5 HHBDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000494844407 1000691352 /nfs/dbraw/zinc/69/13/52/1000691352.db2.gz BIOQMEINJHNYNR-UHFFFAOYSA-N 1 0 421.519 3.537 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2CCO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000495182025 1000904738 /nfs/dbraw/zinc/90/47/38/1000904738.db2.gz FRENLURKRCWUHD-QUCCMNQESA-N 1 0 400.475 3.823 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000505765715 1001012439 /nfs/dbraw/zinc/01/24/39/1001012439.db2.gz HEQVLMZYYIJGLD-INIZCTEOSA-N 1 0 411.506 3.577 20 5 HHBDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000495440958 1001013402 /nfs/dbraw/zinc/01/34/02/1001013402.db2.gz ZAPUDZUEHUFEJE-ZDUSSCGKSA-N 1 0 421.881 3.815 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000496263857 1001149059 /nfs/dbraw/zinc/14/90/59/1001149059.db2.gz PZOIOFVWXZRZRD-GOSISDBHSA-N 1 0 407.474 3.598 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000496644330 1001209048 /nfs/dbraw/zinc/20/90/48/1001209048.db2.gz TYUBUQOJORPQQC-QUCCMNQESA-N 1 0 415.515 3.509 20 5 HHBDRO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506282992 1001327485 /nfs/dbraw/zinc/32/74/85/1001327485.db2.gz QBTDUJNGUCSIAG-UHFFFAOYSA-N 1 0 423.492 3.842 20 5 HHBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000497416864 1001351045 /nfs/dbraw/zinc/35/10/45/1001351045.db2.gz LJUXYCVXBGHNTR-ZWKOTPCHSA-N 1 0 408.483 3.546 20 5 HHBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000497439565 1001365968 /nfs/dbraw/zinc/36/59/68/1001365968.db2.gz KTMTULRGUXVBHW-ZMSDIMECSA-N 1 0 415.494 3.723 20 5 HHBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000497439547 1001366069 /nfs/dbraw/zinc/36/60/69/1001366069.db2.gz KTMTULRGUXVBHW-UXLLHSPISA-N 1 0 415.494 3.723 20 5 HHBDRO COc1ccc(NC(=O)CC[NH+]2CCC(OC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000497447164 1001369848 /nfs/dbraw/zinc/36/98/48/1001369848.db2.gz WVJIYNFOZIRSDS-UHFFFAOYSA-N 1 0 405.495 3.746 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000497637279 1001467900 /nfs/dbraw/zinc/46/79/00/1001467900.db2.gz RZPNZNZRDCYKJJ-HUUCEWRRSA-N 1 0 417.893 3.787 20 5 HHBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000506896711 1001585198 /nfs/dbraw/zinc/58/51/98/1001585198.db2.gz UZGLCUGIPQBSAA-IAGOWNOFSA-N 1 0 411.506 3.767 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000497984090 1001591077 /nfs/dbraw/zinc/59/10/77/1001591077.db2.gz OAUWWKFJVODACY-FXAWDEMLSA-N 1 0 417.531 3.749 20 5 HHBDRO CSc1ccc(C(=O)c2ccccc2C(=O)NCCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000498360634 1001795129 /nfs/dbraw/zinc/79/51/29/1001795129.db2.gz AIUUZFCLDVAHMV-UHFFFAOYSA-N 1 0 415.515 3.619 20 5 HHBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000498376495 1001807342 /nfs/dbraw/zinc/80/73/42/1001807342.db2.gz ZHVXYCRKEUTMRG-HOCLYGCPSA-N 1 0 422.279 3.622 20 5 HHBDRO CC(C)Oc1ccc([C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000498384483 1001814397 /nfs/dbraw/zinc/81/43/97/1001814397.db2.gz JZVVGNLXRHLMBG-OAQYLSRUSA-N 1 0 414.506 3.527 20 5 HHBDRO CC(C)Oc1ccc([C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000498384482 1001814581 /nfs/dbraw/zinc/81/45/81/1001814581.db2.gz JZVVGNLXRHLMBG-NRFANRHFSA-N 1 0 414.506 3.527 20 5 HHBDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000507188985 1001878584 /nfs/dbraw/zinc/87/85/84/1001878584.db2.gz SORCGDHGFIGMKW-UHFFFAOYSA-N 1 0 402.495 3.770 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498492431 1001918249 /nfs/dbraw/zinc/91/82/49/1001918249.db2.gz GMVVHISGPFPPKF-UHFFFAOYSA-N 1 0 404.898 3.564 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507250599 1001934248 /nfs/dbraw/zinc/93/42/48/1001934248.db2.gz FYYWVYWAUGJUCK-UHFFFAOYSA-N 1 0 400.454 3.947 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000507612764 1002218563 /nfs/dbraw/zinc/21/85/63/1002218563.db2.gz ILCHREQUGDMVRY-NQIIRXRSSA-N 1 0 422.529 3.763 20 5 HHBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507613577 1002219694 /nfs/dbraw/zinc/21/96/94/1002219694.db2.gz SFYALWSKZYHUJX-INIZCTEOSA-N 1 0 407.474 3.877 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)C1CC1 ZINC000507621519 1002225828 /nfs/dbraw/zinc/22/58/28/1002225828.db2.gz ORVHFOCPUIBCIP-WOJBJXKFSA-N 1 0 421.476 3.918 20 5 HHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498935670 1002334083 /nfs/dbraw/zinc/33/40/83/1002334083.db2.gz LRMFGYDMEYUOIO-DOMZBBRYSA-N 1 0 409.450 3.581 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC3CCS(=O)(=O)CC3)o2)c(Cl)c1 ZINC000507838184 1002379629 /nfs/dbraw/zinc/37/96/29/1002379629.db2.gz XHVSFZUYPXAPNI-UHFFFAOYSA-N 1 0 412.895 3.813 20 5 HHBDRO COc1ccc(NC(=O)CC[NH+]2CCC(n3c(C)ccc3C)CC2)c([N+](=O)[O-])c1 ZINC000499066003 1002450631 /nfs/dbraw/zinc/45/06/31/1002450631.db2.gz WXQOXQUTFKPIKZ-UHFFFAOYSA-N 1 0 400.479 3.687 20 5 HHBDRO CC[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000499099161 1002489721 /nfs/dbraw/zinc/48/97/21/1002489721.db2.gz IBYGMBOLJFSVCO-WOJBJXKFSA-N 1 0 400.479 3.657 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[N@H+](CC4CCC4)CC3)cc2[N+](=O)[O-])C1 ZINC000508036735 1002558286 /nfs/dbraw/zinc/55/82/86/1002558286.db2.gz FXPMVGMETRJYJX-GOSISDBHSA-N 1 0 414.550 3.779 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC[N@H+](CC4CCC4)CC3)cc2[N+](=O)[O-])C1 ZINC000508036740 1002558511 /nfs/dbraw/zinc/55/85/11/1002558511.db2.gz FXPMVGMETRJYJX-SFHVURJKSA-N 1 0 414.550 3.779 20 5 HHBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000499385633 1002776215 /nfs/dbraw/zinc/77/62/15/1002776215.db2.gz VBLSTWFSKHKEMF-UHFFFAOYSA-N 1 0 411.289 3.968 20 5 HHBDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000508603596 1003058714 /nfs/dbraw/zinc/05/87/14/1003058714.db2.gz JOZLGQNANQAVET-WMZOPIPTSA-N 1 0 419.485 3.533 20 5 HHBDRO C[N@H+](CCc1cnccn1)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000508642222 1003091009 /nfs/dbraw/zinc/09/10/09/1003091009.db2.gz VZWHXCRXIQMMBA-UHFFFAOYSA-N 1 0 414.469 3.912 20 5 HHBDRO NC(=O)CC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000508680618 1003119178 /nfs/dbraw/zinc/11/91/78/1003119178.db2.gz QDPJKQAHVVCCOU-UHFFFAOYSA-N 1 0 419.485 3.535 20 5 HHBDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)ccc21 ZINC000499930020 1003254495 /nfs/dbraw/zinc/25/44/95/1003254495.db2.gz MGLNEAQWNLWGJE-UHFFFAOYSA-N 1 0 413.453 3.865 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000508985989 1003457083 /nfs/dbraw/zinc/45/70/83/1003457083.db2.gz ZNRYSDABZPWJQC-QGZVFWFLSA-N 1 0 412.538 3.871 20 5 HHBDRO C[C@H]([NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@H]1CCOC1 ZINC000500214489 1003556628 /nfs/dbraw/zinc/55/66/28/1003556628.db2.gz AEHXWJXINRVNSX-RFUYNDQBSA-N 1 0 403.866 3.943 20 5 HHBDRO CCOc1ccc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000500429119 1003711328 /nfs/dbraw/zinc/71/13/28/1003711328.db2.gz ZYVAFNIYCDEDMG-LJQANCHMSA-N 1 0 413.474 3.569 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000511871951 1003851528 /nfs/dbraw/zinc/85/15/28/1003851528.db2.gz GGQSVNYVIMPSAV-HBMCJLEFSA-N 1 0 400.500 3.637 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@H](C[NH+](C)C)C3)cc2[N+](=O)[O-])n1 ZINC000511972742 1003929064 /nfs/dbraw/zinc/92/90/64/1003929064.db2.gz NGNWIDRKEDTQTN-CYBMUJFWSA-N 1 0 406.533 3.535 20 5 HHBDRO CC(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2c(c1)OCCO2 ZINC000509599506 1003970906 /nfs/dbraw/zinc/97/09/06/1003970906.db2.gz GFDFMOPCFBDFKH-HXUWFJFHSA-N 1 0 400.431 3.719 20 5 HHBDRO C[NH+]1CCC2(CCCN2C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000509610749 1003977777 /nfs/dbraw/zinc/97/77/77/1003977777.db2.gz YAFLWRPVCSIMMO-UHFFFAOYSA-N 1 0 417.453 3.793 20 5 HHBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)o1 ZINC000509700770 1004037895 /nfs/dbraw/zinc/03/78/95/1004037895.db2.gz SOOJOWSPRZLJSA-UHFFFAOYSA-N 1 0 424.295 3.771 20 5 HHBDRO C[C@@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000512126549 1004041514 /nfs/dbraw/zinc/04/15/14/1004041514.db2.gz BLQYAUUXIUFGSP-CVEARBPZSA-N 1 0 409.490 3.543 20 5 HHBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000512278892 1004179839 /nfs/dbraw/zinc/17/98/39/1004179839.db2.gz DYFVVFZGRQGDRW-UHFFFAOYSA-N 1 0 413.522 3.761 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000509927613 1004212955 /nfs/dbraw/zinc/21/29/55/1004212955.db2.gz SXEUOKGLSVFMJM-MRXNPFEDSA-N 1 0 411.506 3.577 20 5 HHBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000501127007 1004221123 /nfs/dbraw/zinc/22/11/23/1004221123.db2.gz ZGUKEHKYTKPKOH-UHFFFAOYSA-N 1 0 421.501 3.512 20 5 HHBDRO C[C@@H]1C[C@H](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[N@@H+]1Cc1ccccc1 ZINC000512544048 1004373959 /nfs/dbraw/zinc/37/39/59/1004373959.db2.gz DEFGSCPELWBROC-WBVHZDCISA-N 1 0 407.474 3.502 20 5 HHBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000501374980 1004374722 /nfs/dbraw/zinc/37/47/22/1004374722.db2.gz YGUHPMFUTKVOTQ-LAUBAEHRSA-N 1 0 419.485 3.598 20 5 HHBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(OC)c1 ZINC000510249556 1004425672 /nfs/dbraw/zinc/42/56/72/1004425672.db2.gz ACCDWORSPLHJDX-MRXNPFEDSA-N 1 0 401.463 3.990 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000510535802 1004668214 /nfs/dbraw/zinc/66/82/14/1004668214.db2.gz CKVNGDGJCFRZJC-LBPRGKRZSA-N 1 0 414.384 3.647 20 5 HHBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510547534 1004681508 /nfs/dbraw/zinc/68/15/08/1004681508.db2.gz KNYSALQPMRKTRC-ACJLOTCBSA-N 1 0 407.417 3.926 20 5 HHBDRO C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510622337 1004760040 /nfs/dbraw/zinc/76/00/40/1004760040.db2.gz KFNKBAVRKQPWLE-GDBMZVCRSA-N 1 0 408.930 3.743 20 5 HHBDRO C[NH+](C)[C@@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000513116705 1004815555 /nfs/dbraw/zinc/81/55/55/1004815555.db2.gz JYOQKCIOPKGGJH-JOCHJYFZSA-N 1 0 405.502 3.974 20 5 HHBDRO C[C@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000513192093 1004853619 /nfs/dbraw/zinc/85/36/19/1004853619.db2.gz DFMSKDNHKJZCJL-KRWDZBQOSA-N 1 0 423.517 3.566 20 5 HHBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)n1 ZINC000510806030 1004864343 /nfs/dbraw/zinc/86/43/43/1004864343.db2.gz FKTYFZRWKAQIRT-INIZCTEOSA-N 1 0 402.499 3.567 20 5 HHBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000510840653 1004885521 /nfs/dbraw/zinc/88/55/21/1004885521.db2.gz BYKJTIRAWMCEQH-UHFFFAOYSA-N 1 0 420.416 3.982 20 5 HHBDRO C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510907821 1004925114 /nfs/dbraw/zinc/92/51/14/1004925114.db2.gz BLTIKXUKHRNJKF-CHWSQXEVSA-N 1 0 410.312 3.740 20 5 HHBDRO COc1ccccc1O[C@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000513360348 1004925501 /nfs/dbraw/zinc/92/55/01/1004925501.db2.gz AEKSALQNFXZMRP-KRWDZBQOSA-N 1 0 413.474 3.784 20 5 HHBDRO COc1cc(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513473037 1004981693 /nfs/dbraw/zinc/98/16/93/1004981693.db2.gz QNGNWRBSTKARLP-HXUWFJFHSA-N 1 0 411.502 3.851 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000511047684 1004996382 /nfs/dbraw/zinc/99/63/82/1004996382.db2.gz PMWQRAKCGHRGBU-CALCHBBNSA-N 1 0 417.531 3.551 20 5 HHBDRO CC1CC[NH+](C2CCC(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)CC1 ZINC000502326296 1005013685 /nfs/dbraw/zinc/01/36/85/1005013685.db2.gz MOEKGBYJWZGSRI-UHFFFAOYSA-N 1 0 414.550 3.968 20 5 HHBDRO CCOc1cc(NC(=O)NCC[N@@H+]2CCCC[C@H]2CC)c([N+](=O)[O-])cc1OCC ZINC000502339655 1005020439 /nfs/dbraw/zinc/02/04/39/1005020439.db2.gz ZKFJEXRNWZRJTQ-OAHLLOKOSA-N 1 0 408.499 3.778 20 5 HHBDRO Cc1sc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000511185342 1005064965 /nfs/dbraw/zinc/06/49/65/1005064965.db2.gz JKKZUJIOEMILHZ-KRWDZBQOSA-N 1 0 423.560 3.544 20 5 HHBDRO C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511288115 1005108872 /nfs/dbraw/zinc/10/88/72/1005108872.db2.gz PJIRLLBTJDLRLS-ILXRZTDVSA-N 1 0 409.914 3.785 20 5 HHBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000513786639 1005126152 /nfs/dbraw/zinc/12/61/52/1005126152.db2.gz KOKRGLUYICPYSS-XAUMDUMWSA-N 1 0 417.531 3.565 20 5 HHBDRO Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000513788096 1005127530 /nfs/dbraw/zinc/12/75/30/1005127530.db2.gz KWYJUNNQHOUSLO-UZKOGDIHSA-N 1 0 413.518 3.871 20 5 HHBDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000513790122 1005128542 /nfs/dbraw/zinc/12/85/42/1005128542.db2.gz SDALOLWGEXIABN-XAUMDUMWSA-N 1 0 417.531 3.565 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000514216132 1005317474 /nfs/dbraw/zinc/31/74/74/1005317474.db2.gz TXBMVGAAOXYIAW-CABCVRRESA-N 1 0 411.449 3.923 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cccc1[N+](=O)[O-] ZINC000503377422 1005402303 /nfs/dbraw/zinc/40/23/03/1005402303.db2.gz LOYZOMASAWFZBW-QGZVFWFLSA-N 1 0 411.506 3.644 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000503489412 1005435325 /nfs/dbraw/zinc/43/53/25/1005435325.db2.gz CLTTYTVAHNBAAT-FQEVSTJZSA-N 1 0 411.502 3.664 20 5 HHBDRO CCc1cc(N2CCC([NH2+]Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)ncn1 ZINC000531121335 1006004705 /nfs/dbraw/zinc/00/47/05/1006004705.db2.gz ICJURMPIBPQBCU-UHFFFAOYSA-N 1 0 424.530 3.829 20 5 HHBDRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000531205176 1006045623 /nfs/dbraw/zinc/04/56/23/1006045623.db2.gz PVQAZIVZRMRKDV-GJZGRUSLSA-N 1 0 403.454 3.749 20 5 HHBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000531341061 1006133514 /nfs/dbraw/zinc/13/35/14/1006133514.db2.gz OWMZOLUKFKUCKV-QHCPKHFHSA-N 1 0 408.502 3.793 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531489094 1006227950 /nfs/dbraw/zinc/22/79/50/1006227950.db2.gz GQMLTAMNTZQQQP-ZJSXRUAMSA-N 1 0 420.465 3.930 20 5 HHBDRO CNc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000534260503 1006270158 /nfs/dbraw/zinc/27/01/58/1006270158.db2.gz FDFSQCZUGSKYGG-KUHUBIRLSA-N 1 0 420.872 3.852 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000534329307 1006302014 /nfs/dbraw/zinc/30/20/14/1006302014.db2.gz XWODQJKXNKGIQQ-IXFSTUDKSA-N 1 0 413.518 3.934 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@]3(CCO)CCOC3)cc2[N+](=O)[O-])cc1 ZINC000531630666 1006316693 /nfs/dbraw/zinc/31/66/93/1006316693.db2.gz GOTAQGPCASHUAB-NRFANRHFSA-N 1 0 402.516 3.933 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531811186 1006444217 /nfs/dbraw/zinc/44/42/17/1006444217.db2.gz NVKKNGCQXZYTOX-KKSFZXQISA-N 1 0 411.502 3.755 20 5 HHBDRO COC(=O)c1cc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc([N+](=O)[O-])c1 ZINC000515711026 1006608866 /nfs/dbraw/zinc/60/88/66/1006608866.db2.gz CADPLNWFPARQSD-UHFFFAOYSA-N 1 0 411.458 3.662 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c1 ZINC000538413082 1006680471 /nfs/dbraw/zinc/68/04/71/1006680471.db2.gz TVZHNCLZVWZQOE-UHFFFAOYSA-N 1 0 412.490 3.817 20 5 HHBDRO COc1cc(C[NH2+]CCc2ncc(C)cn2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000538421370 1006689324 /nfs/dbraw/zinc/68/93/24/1006689324.db2.gz RMBIVSAYIWHFHK-UHFFFAOYSA-N 1 0 408.458 3.613 20 5 HHBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000534702519 1006689841 /nfs/dbraw/zinc/68/98/41/1006689841.db2.gz VKDAQXVAMJDTMU-UHFFFAOYSA-N 1 0 407.474 3.763 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000532194809 1006712833 /nfs/dbraw/zinc/71/28/33/1006712833.db2.gz LLOJZXKELUEXNJ-ZDUSSCGKSA-N 1 0 406.280 3.746 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@]2(CCO)CCOC2)ccc1Oc1ccccc1Cl ZINC000532393989 1006841888 /nfs/dbraw/zinc/84/18/88/1006841888.db2.gz JDAIUSVHYZZDCM-HXUWFJFHSA-N 1 0 406.866 3.919 20 5 HHBDRO C[C@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000516048134 1006854088 /nfs/dbraw/zinc/85/40/88/1006854088.db2.gz XMDMYPKPLXASJY-KRWDZBQOSA-N 1 0 424.501 3.643 20 5 HHBDRO C[C@@H](CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[S@](C)=O ZINC000532468279 1006906889 /nfs/dbraw/zinc/90/68/89/1006906889.db2.gz LUCXBAVDCQHMJC-BUBHHJDNSA-N 1 0 415.309 3.864 20 5 HHBDRO O=C(CN1CCC[N@H+](CC2CCCCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000532484102 1006924516 /nfs/dbraw/zinc/92/45/16/1006924516.db2.gz LAZKBTPLXYKKNN-UHFFFAOYSA-N 1 0 408.930 3.775 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000532537395 1006971799 /nfs/dbraw/zinc/97/17/99/1006971799.db2.gz HMKHRYFMJQKMOT-ZWKOTPCHSA-N 1 0 418.538 3.518 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000532537394 1006972073 /nfs/dbraw/zinc/97/20/73/1006972073.db2.gz HMKHRYFMJQKMOT-ROUUACIJSA-N 1 0 418.538 3.518 20 5 HHBDRO CC1CCC(OC2CC[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)CC1 ZINC000532553621 1006985497 /nfs/dbraw/zinc/98/54/97/1006985497.db2.gz XBASLPGXDZRTFD-UHFFFAOYSA-N 1 0 417.506 3.953 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+](C4CCOCC4)CC3)o2)c(Cl)c1 ZINC000538716794 1006989738 /nfs/dbraw/zinc/98/97/38/1006989738.db2.gz AQUPFJLGTRKNKH-UHFFFAOYSA-N 1 0 405.882 3.805 20 5 HHBDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCC(=O)Nc4ccccc4[N+](=O)[O-])C3)nc2c1 ZINC000534950957 1006994483 /nfs/dbraw/zinc/99/44/83/1006994483.db2.gz CLMWPAIWAIXGHJ-MRXNPFEDSA-N 1 0 407.474 3.988 20 5 HHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)ccc1Oc1ccc(F)cc1 ZINC000538734595 1007015969 /nfs/dbraw/zinc/01/59/69/1007015969.db2.gz OUOPVIYWOIVUIQ-SFHVURJKSA-N 1 0 415.465 3.680 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000538734556 1007016634 /nfs/dbraw/zinc/01/66/34/1007016634.db2.gz KPXVNBGAIOVHSX-FQEVSTJZSA-N 1 0 410.518 3.517 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[NH+]1CCCC1 ZINC000534984934 1007044192 /nfs/dbraw/zinc/04/41/92/1007044192.db2.gz NKRPWTOJSIBWFW-LJQANCHMSA-N 1 0 408.458 3.652 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000538782679 1007064257 /nfs/dbraw/zinc/06/42/57/1007064257.db2.gz YYPPKAPFZPOMMT-UHFFFAOYSA-N 1 0 403.523 3.533 20 5 HHBDRO Cn1cc(CNc2ccccc2C[NH+]2CCC(O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538820329 1007095686 /nfs/dbraw/zinc/09/56/86/1007095686.db2.gz GRKQYWJDAHVYQT-UHFFFAOYSA-N 1 0 421.501 3.564 20 5 HHBDRO COc1cc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000516686322 1007232724 /nfs/dbraw/zinc/23/27/24/1007232724.db2.gz VFQGIITUSNLDLU-ZFWWWQNUSA-N 1 0 417.428 3.603 20 5 HHBDRO CNc1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000532943056 1007313573 /nfs/dbraw/zinc/31/35/73/1007313573.db2.gz DKZZRZFDSBKTCA-SFHVURJKSA-N 1 0 420.473 3.532 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000532964013 1007331668 /nfs/dbraw/zinc/33/16/68/1007331668.db2.gz QJYYEDRMDVVFCK-YVMONPNESA-N 1 0 408.502 3.563 20 5 HHBDRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539044826 1007341590 /nfs/dbraw/zinc/34/15/90/1007341590.db2.gz VKYNKNNTCUHNLH-AWEZNQCLSA-N 1 0 423.560 3.646 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000532976468 1007345923 /nfs/dbraw/zinc/34/59/23/1007345923.db2.gz CECZZNPORATXCY-GOEBONIOSA-N 1 0 401.438 3.634 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000539064468 1007357206 /nfs/dbraw/zinc/35/72/06/1007357206.db2.gz KNPZVYMRGPHWRI-NVXWUHKLSA-N 1 0 412.515 3.854 20 5 HHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCOc2ncccc2C(F)(F)F)c1 ZINC000533007544 1007372853 /nfs/dbraw/zinc/37/28/53/1007372853.db2.gz HGPVTQCQSHNCCR-UHFFFAOYSA-N 1 0 407.295 3.779 20 5 HHBDRO CCC[C@@H]([NH2+][C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000539086500 1007375247 /nfs/dbraw/zinc/37/52/47/1007375247.db2.gz JGRFTSKKMZFHLC-NHCUHLMSSA-N 1 0 413.474 3.848 20 5 HHBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000535409000 1007477862 /nfs/dbraw/zinc/47/78/62/1007477862.db2.gz ZXGTUDSOMKLFDM-GMAHTHKFSA-N 1 0 422.529 3.833 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000539220500 1007513160 /nfs/dbraw/zinc/51/31/60/1007513160.db2.gz YKAKSIGGIDMKDU-GFCCVEGCSA-N 1 0 409.389 3.884 20 5 HHBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1 ZINC000539244966 1007539672 /nfs/dbraw/zinc/53/96/72/1007539672.db2.gz QPYLSOUHAUHHFA-SJKOYZFVSA-N 1 0 404.264 3.813 20 5 HHBDRO CCCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OC ZINC000539253666 1007546633 /nfs/dbraw/zinc/54/66/33/1007546633.db2.gz OEEYUQHODKWEGS-OAHLLOKOSA-N 1 0 401.463 3.990 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1OCC ZINC000539266888 1007562649 /nfs/dbraw/zinc/56/26/49/1007562649.db2.gz CLQHCYRHMKEBRB-OAHLLOKOSA-N 1 0 413.474 3.632 20 5 HHBDRO COc1cc(C)c([C@H](C)[NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1OC ZINC000539289637 1007587206 /nfs/dbraw/zinc/58/72/06/1007587206.db2.gz OZVVQNKFLMEREP-AWEZNQCLSA-N 1 0 415.446 3.569 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)[C@H](C)C1 ZINC000539293284 1007590410 /nfs/dbraw/zinc/59/04/10/1007590410.db2.gz JDSOAGNERKECCK-VQIMIIECSA-N 1 0 423.579 3.962 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)c([N+](=O)[O-])c1 ZINC000539297311 1007595152 /nfs/dbraw/zinc/59/51/52/1007595152.db2.gz QQGIURULZNLFCT-KGLIPLIRSA-N 1 0 417.462 3.607 20 5 HHBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000539327214 1007626879 /nfs/dbraw/zinc/62/68/79/1007626879.db2.gz SJLBHEMDXVOHIN-AWEZNQCLSA-N 1 0 401.438 3.836 20 5 HHBDRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000539342121 1007642665 /nfs/dbraw/zinc/64/26/65/1007642665.db2.gz BOGOEVBXUADWTG-UHFFFAOYSA-N 1 0 423.469 3.788 20 5 HHBDRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(-c2ccccc2F)n1 ZINC000539380230 1007684682 /nfs/dbraw/zinc/68/46/82/1007684682.db2.gz NPNCDJFGDPTHRM-OAHLLOKOSA-N 1 0 411.437 3.826 20 5 HHBDRO CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000539381390 1007685718 /nfs/dbraw/zinc/68/57/18/1007685718.db2.gz VUDDQTYIGKLQLS-HZPDHXFCSA-N 1 0 415.490 3.839 20 5 HHBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000533413877 1007721603 /nfs/dbraw/zinc/72/16/03/1007721603.db2.gz UXZLVCQNTSMTRT-SFHVURJKSA-N 1 0 410.518 3.766 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000517547976 1007763576 /nfs/dbraw/zinc/76/35/76/1007763576.db2.gz GIFMUWACIBSHSL-GHTZIAJQSA-N 1 0 416.909 3.920 20 5 HHBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000535802918 1007811109 /nfs/dbraw/zinc/81/11/09/1007811109.db2.gz RMSGZFFBIXYBAQ-HZPDHXFCSA-N 1 0 402.495 3.808 20 5 HHBDRO Cc1nc(N2CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)sc1C ZINC000533606493 1007905900 /nfs/dbraw/zinc/90/59/00/1007905900.db2.gz ATZZEZRJONZURT-UHFFFAOYSA-N 1 0 413.503 3.688 20 5 HHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000517901360 1008046202 /nfs/dbraw/zinc/04/62/02/1008046202.db2.gz ZLMQLMXGULAQQK-ROUUACIJSA-N 1 0 405.539 3.703 20 5 HHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000517901358 1008046263 /nfs/dbraw/zinc/04/62/63/1008046263.db2.gz ZLMQLMXGULAQQK-HDICACEKSA-N 1 0 405.539 3.703 20 5 HHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000533828958 1008138704 /nfs/dbraw/zinc/13/87/04/1008138704.db2.gz YSLLOQOLNUQESL-HIFRSBDPSA-N 1 0 409.450 3.512 20 5 HHBDRO CC1CC[NH+](CCc2cccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)c2)CC1 ZINC000539906939 1008177389 /nfs/dbraw/zinc/17/73/89/1008177389.db2.gz OBHOHIXMICJBBB-UHFFFAOYSA-N 1 0 400.454 3.843 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000539931909 1008190808 /nfs/dbraw/zinc/19/08/08/1008190808.db2.gz PLXCRYHJLVJUQE-UHFFFAOYSA-N 1 0 411.502 3.774 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000533938446 1008219585 /nfs/dbraw/zinc/21/95/85/1008219585.db2.gz TWPXFYUDOCXKJE-QGZVFWFLSA-N 1 0 406.486 3.742 20 5 HHBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc21 ZINC000533948043 1008225361 /nfs/dbraw/zinc/22/53/61/1008225361.db2.gz MYPMQVIYUJSUHU-UHFFFAOYSA-N 1 0 405.458 3.774 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000533950562 1008227820 /nfs/dbraw/zinc/22/78/20/1008227820.db2.gz UBJCXXPCGSOMFU-HXUWFJFHSA-N 1 0 421.501 3.527 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000540007263 1008233872 /nfs/dbraw/zinc/23/38/72/1008233872.db2.gz HDPUNDIMUSIKNQ-UHFFFAOYSA-N 1 0 418.538 3.647 20 5 HHBDRO Cc1n[nH]c(C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000518392888 1008287440 /nfs/dbraw/zinc/28/74/40/1008287440.db2.gz ZZCMMKGOUBCQDW-UHFFFAOYSA-N 1 0 421.501 3.810 20 5 HHBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000540336563 1008386546 /nfs/dbraw/zinc/38/65/46/1008386546.db2.gz TVASXMNPANMQHP-UHFFFAOYSA-N 1 0 421.544 3.561 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(OCC(F)(F)F)cc1 ZINC000540363226 1008400388 /nfs/dbraw/zinc/40/03/88/1008400388.db2.gz OKTNIDBEMKVROR-CYBMUJFWSA-N 1 0 423.391 3.776 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)o1 ZINC000518768881 1008417127 /nfs/dbraw/zinc/41/71/27/1008417127.db2.gz JPDRLFYJNOYQGB-FQEVSTJZSA-N 1 0 407.470 3.845 20 5 HHBDRO COc1ccc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)cc1[N+](=O)[O-] ZINC000518776729 1008418090 /nfs/dbraw/zinc/41/80/90/1008418090.db2.gz KVOQFFXQWVANER-UHFFFAOYSA-N 1 0 402.401 3.974 20 5 HHBDRO COCCSc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000518789815 1008421687 /nfs/dbraw/zinc/42/16/87/1008421687.db2.gz DVGGQTLQDZJNDE-YWZLYKJASA-N 1 0 415.515 3.789 20 5 HHBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)C ZINC000518791273 1008421805 /nfs/dbraw/zinc/42/18/05/1008421805.db2.gz GVLYISZNNNSQHH-BEFAXECRSA-N 1 0 413.474 3.847 20 5 HHBDRO Cc1cc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000518799577 1008424582 /nfs/dbraw/zinc/42/45/82/1008424582.db2.gz JYZXNQPYBPTDOV-HNNXBMFYSA-N 1 0 400.445 3.527 20 5 HHBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000540469060 1008443494 /nfs/dbraw/zinc/44/34/94/1008443494.db2.gz DGMMGSJBXNXZNN-KBPBESRZSA-N 1 0 411.437 3.906 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000540477018 1008447087 /nfs/dbraw/zinc/44/70/87/1008447087.db2.gz WLKWVBVZHQSLQY-CQSZACIVSA-N 1 0 407.417 3.814 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000540547507 1008476493 /nfs/dbraw/zinc/47/64/93/1008476493.db2.gz XUQUVFGIFRAZKW-UHFFFAOYSA-N 1 0 403.504 3.697 20 5 HHBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)c1ccccc1O2 ZINC000518963652 1008488777 /nfs/dbraw/zinc/48/87/77/1008488777.db2.gz GCCLMNXUFUOFTP-FQEVSTJZSA-N 1 0 420.469 3.794 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000542980216 1008556396 /nfs/dbraw/zinc/55/63/96/1008556396.db2.gz PVXMSNMMBGKURD-UHFFFAOYSA-N 1 0 411.568 3.734 20 5 HHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000549175113 1008747650 /nfs/dbraw/zinc/74/76/50/1008747650.db2.gz ZSXCOQCCNSJCKJ-HXUWFJFHSA-N 1 0 403.429 3.539 20 5 HHBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1C(F)(F)F ZINC000543184597 1008758207 /nfs/dbraw/zinc/75/82/07/1008758207.db2.gz BYUAMRIIZMBNLI-LBPRGKRZSA-N 1 0 402.394 3.738 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000543232062 1008799055 /nfs/dbraw/zinc/79/90/55/1008799055.db2.gz MJRNKXZVYTVPTD-FQEVSTJZSA-N 1 0 412.490 3.548 20 5 HHBDRO CSc1ccc([C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000519562152 1008906197 /nfs/dbraw/zinc/90/61/97/1008906197.db2.gz YNJOCXCVRILPGF-MGPUTAFESA-N 1 0 416.547 3.926 20 5 HHBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549396446 1008981023 /nfs/dbraw/zinc/98/10/23/1008981023.db2.gz KPMHMZHZGXAUBA-IBGZPJMESA-N 1 0 420.517 3.832 20 5 HHBDRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000519936694 1009090513 /nfs/dbraw/zinc/09/05/13/1009090513.db2.gz XKEHPWQHTLBJNR-UHFFFAOYSA-N 1 0 411.458 3.630 20 5 HHBDRO COc1cc(C[NH2+][C@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000543553724 1009158183 /nfs/dbraw/zinc/15/81/83/1009158183.db2.gz VEXVPBFZENYMID-IUODEOHRSA-N 1 0 408.401 3.902 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000543594839 1009200408 /nfs/dbraw/zinc/20/04/08/1009200408.db2.gz PKGOXRVKAIILJV-MRXNPFEDSA-N 1 0 412.920 3.849 20 5 HHBDRO CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000546177275 1009207316 /nfs/dbraw/zinc/20/73/16/1009207316.db2.gz MLOVFKGCGZTGIB-KRWDZBQOSA-N 1 0 423.922 3.533 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cc(-c3ccccc3)cs2)cc1 ZINC000543621407 1009226629 /nfs/dbraw/zinc/22/66/29/1009226629.db2.gz OYKVKJJSMLFKRW-UHFFFAOYSA-N 1 0 402.497 3.887 20 5 HHBDRO C[C@H]([NH2+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCOCC1)c1ccccc1 ZINC000543640936 1009244620 /nfs/dbraw/zinc/24/46/20/1009244620.db2.gz IMQQNMGQWDNMTD-HNNXBMFYSA-N 1 0 416.453 3.755 20 5 HHBDRO COc1cc(-c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)cc([N+](=O)[O-])c1OC ZINC000546237155 1009261486 /nfs/dbraw/zinc/26/14/86/1009261486.db2.gz KRZMKWAXGYSBLN-UHFFFAOYSA-N 1 0 410.430 3.925 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000520150703 1009301091 /nfs/dbraw/zinc/30/10/91/1009301091.db2.gz AMZRMPKMPXKUKN-GUDVDZBRSA-N 1 0 416.566 3.927 20 5 HHBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000543819620 1009379691 /nfs/dbraw/zinc/37/96/91/1009379691.db2.gz YYAPSTKRFLWNPN-UHFFFAOYSA-N 1 0 420.416 3.955 20 5 HHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000549798933 1009406436 /nfs/dbraw/zinc/40/64/36/1009406436.db2.gz YLAJZRTUUCNEML-UHFFFAOYSA-N 1 0 401.429 3.548 20 5 HHBDRO CC[NH+]1CCN(c2ccc(-c3noc(/C=C(\C)c4ccc([N+](=O)[O-])cc4)n3)cn2)CC1 ZINC000546396197 1009406847 /nfs/dbraw/zinc/40/68/47/1009406847.db2.gz ZJVJNYGZEZGQLP-JQIJEIRASA-N 1 0 420.473 3.742 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000520445581 1009558598 /nfs/dbraw/zinc/55/85/98/1009558598.db2.gz DVWAKVAYSOJQKI-INIZCTEOSA-N 1 0 417.893 3.750 20 5 HHBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000544082768 1009689839 /nfs/dbraw/zinc/68/98/39/1009689839.db2.gz QPFGZXBFFCFBDQ-UHFFFAOYSA-N 1 0 411.911 3.832 20 5 HHBDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544117778 1009726691 /nfs/dbraw/zinc/72/66/91/1009726691.db2.gz SDOIIWAALBIUSY-LJQANCHMSA-N 1 0 406.504 3.754 20 5 HHBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000550187457 1009762633 /nfs/dbraw/zinc/76/26/33/1009762633.db2.gz GPUAYVAFQBNAQN-GFCCVEGCSA-N 1 0 400.317 3.906 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+]C3(Cc4cccc(F)c4)CCOCC3)o2)cc1 ZINC000550274701 1009824786 /nfs/dbraw/zinc/82/47/86/1009824786.db2.gz QVMHYUBFUQJYNL-UHFFFAOYSA-N 1 0 412.421 3.665 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000544368838 1009997183 /nfs/dbraw/zinc/99/71/83/1009997183.db2.gz SVTFJMQBODVTNE-AWEZNQCLSA-N 1 0 405.882 3.784 20 5 HHBDRO CCc1ccc([C@H](NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544380883 1010006122 /nfs/dbraw/zinc/00/61/22/1010006122.db2.gz GIEGBTFSVKYIDB-QNWVGRARSA-N 1 0 413.518 3.807 20 5 HHBDRO Cc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000550547369 1010018057 /nfs/dbraw/zinc/01/80/57/1010018057.db2.gz JKGWXHGMQWTLQK-LJQANCHMSA-N 1 0 419.485 3.940 20 5 HHBDRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cnn1-c1ccc(F)cc1 ZINC000544431584 1010054452 /nfs/dbraw/zinc/05/44/52/1010054452.db2.gz CPBPQJVQQIFMNI-AWEZNQCLSA-N 1 0 411.437 3.826 20 5 HHBDRO COc1cc(Cc2noc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)ccc1[N+](=O)[O-] ZINC000547196591 1010140356 /nfs/dbraw/zinc/14/03/56/1010140356.db2.gz XZXLULDRFFWFJV-GOSISDBHSA-N 1 0 408.458 3.957 20 5 HHBDRO C[NH+](C)CCOc1ccccc1-c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000547206338 1010151377 /nfs/dbraw/zinc/15/13/77/1010151377.db2.gz LIKWXLVYMJMXDC-UHFFFAOYSA-N 1 0 407.430 3.657 20 5 HHBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000521540412 1010449866 /nfs/dbraw/zinc/44/98/66/1010449866.db2.gz BQZFRZFJOWPBOB-CALCHBBNSA-N 1 0 402.539 3.633 20 5 HHBDRO CC(C)(C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000545146770 1010647434 /nfs/dbraw/zinc/64/74/34/1010647434.db2.gz SZTLZSMLRWCBFI-SFHVURJKSA-N 1 0 413.493 3.692 20 5 HHBDRO CC(C)(C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000545167107 1010663059 /nfs/dbraw/zinc/66/30/59/1010663059.db2.gz OLFRTJYOJNRWIZ-UHFFFAOYSA-N 1 0 417.456 3.931 20 5 HHBDRO CC1CCN([C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000548761195 1010724601 /nfs/dbraw/zinc/72/46/01/1010724601.db2.gz RABPRSNIJTUINY-JOCHJYFZSA-N 1 0 410.518 3.986 20 5 HHBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000545350397 1010744026 /nfs/dbraw/zinc/74/40/26/1010744026.db2.gz PWOHMJQARJBGPP-FGZHOGPDSA-N 1 0 422.485 3.731 20 5 HHBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000545350398 1010744279 /nfs/dbraw/zinc/74/42/79/1010744279.db2.gz PWOHMJQARJBGPP-VXKWHMMOSA-N 1 0 422.485 3.731 20 5 HHBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[C@]12CCCO2 ZINC000545353514 1010745112 /nfs/dbraw/zinc/74/51/12/1010745112.db2.gz NLSUVAXNTFZAAJ-NJDAHSKKSA-N 1 0 402.447 3.680 20 5 HHBDRO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000522546608 1011072808 /nfs/dbraw/zinc/07/28/08/1011072808.db2.gz WHKTWIGLNKCXMS-BLLLJJGKSA-N 1 0 418.460 3.897 20 5 HHBDRO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000522546611 1011072861 /nfs/dbraw/zinc/07/28/61/1011072861.db2.gz WHKTWIGLNKCXMS-WBMJQRKESA-N 1 0 418.460 3.897 20 5 HHBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1)C(C)C ZINC000522607621 1011108875 /nfs/dbraw/zinc/10/88/75/1011108875.db2.gz UGOUGRKOHWJCTM-UHFFFAOYSA-N 1 0 401.463 3.856 20 5 HHBDRO C[NH+](C)C1(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CCCCCC1 ZINC000522626001 1011121546 /nfs/dbraw/zinc/12/15/46/1011121546.db2.gz LQZFMPOMBYCMSM-UHFFFAOYSA-N 1 0 419.913 3.861 20 5 HHBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000522651166 1011138418 /nfs/dbraw/zinc/13/84/18/1011138418.db2.gz ALZFDCHQKDGTEA-UHFFFAOYSA-N 1 0 417.893 3.582 20 5 HHBDRO Cc1ccc(C[N@H+]2CCCN(C(=O)CN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000540590517 1011245722 /nfs/dbraw/zinc/24/57/22/1011245722.db2.gz IPGNTBYHUSVSJP-HXUWFJFHSA-N 1 0 424.545 3.597 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000540625719 1011276232 /nfs/dbraw/zinc/27/62/32/1011276232.db2.gz KDILFUQWUODXII-IIBYNOLFSA-N 1 0 417.531 3.933 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccsc1 ZINC000536167477 1011297916 /nfs/dbraw/zinc/29/79/16/1011297916.db2.gz NWJMXQUCQRVPSS-IBGZPJMESA-N 1 0 400.504 3.879 20 5 HHBDRO C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000522897298 1011342141 /nfs/dbraw/zinc/34/21/41/1011342141.db2.gz AQIDCOCTSDQJAZ-CYBMUJFWSA-N 1 0 420.872 3.630 20 5 HHBDRO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000522902216 1011346215 /nfs/dbraw/zinc/34/62/15/1011346215.db2.gz AVDHPMDGHBVXAQ-UHFFFAOYSA-N 1 0 421.856 3.661 20 5 HHBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000536201878 1011347403 /nfs/dbraw/zinc/34/74/03/1011347403.db2.gz VEKFCTZPBZRGGH-XMMPIXPASA-N 1 0 422.529 3.835 20 5 HHBDRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cc2ccccc2c2cccnc12 ZINC000536351088 1011557711 /nfs/dbraw/zinc/55/77/11/1011557711.db2.gz PEHSTKLBUBHJSZ-RTWAWAEBSA-N 1 0 411.505 3.753 20 5 HHBDRO C[C@@H]1C[NH+](CC2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)C[C@@H](C)O1 ZINC000536366857 1011575003 /nfs/dbraw/zinc/57/50/03/1011575003.db2.gz BBRDMLRSDJRALX-IAGOWNOFSA-N 1 0 414.506 3.571 20 5 HHBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCSc2ccc(Br)cc21 ZINC000536377569 1011586094 /nfs/dbraw/zinc/58/60/94/1011586094.db2.gz HKTWLFIMAVYURY-HNNXBMFYSA-N 1 0 424.320 3.688 20 5 HHBDRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000540961720 1011603200 /nfs/dbraw/zinc/60/32/00/1011603200.db2.gz GEJFMCZYSMEKLX-VQIMIIECSA-N 1 0 400.475 3.775 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)ccc1Oc1ccc(F)cc1 ZINC000536397366 1011604701 /nfs/dbraw/zinc/60/47/01/1011604701.db2.gz WPZPNNMUOFUOAI-UTKZUKDTSA-N 1 0 402.422 3.954 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541021864 1011655378 /nfs/dbraw/zinc/65/53/78/1011655378.db2.gz QUPDBKNOSBCPGG-KRWDZBQOSA-N 1 0 411.380 3.574 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000541055250 1011696443 /nfs/dbraw/zinc/69/64/43/1011696443.db2.gz XEVCSMBOBLPEEV-YQVWRLOYSA-N 1 0 405.539 3.944 20 5 HHBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000523206938 1011696613 /nfs/dbraw/zinc/69/66/13/1011696613.db2.gz GMLIMAYNIDALRH-UHFFFAOYSA-N 1 0 404.898 3.930 20 5 HHBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000536525879 1011718749 /nfs/dbraw/zinc/71/87/49/1011718749.db2.gz ZSEJCWXDJGVZCJ-UHFFFAOYSA-N 1 0 423.517 3.943 20 5 HHBDRO COc1cc(CN2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000536653638 1011802097 /nfs/dbraw/zinc/80/20/97/1011802097.db2.gz RNPUSZOXVSBQME-FQEVSTJZSA-N 1 0 411.502 3.853 20 5 HHBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000523354721 1011834905 /nfs/dbraw/zinc/83/49/05/1011834905.db2.gz ZTANRWMAWWGRPR-CYBMUJFWSA-N 1 0 415.437 3.589 20 5 HHBDRO C[C@@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000551816164 1011972714 /nfs/dbraw/zinc/97/27/14/1011972714.db2.gz GTSKKMHNBBHEIT-JLCFBVMHSA-N 1 0 408.458 3.671 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000541280966 1011974061 /nfs/dbraw/zinc/97/40/61/1011974061.db2.gz ANHHCPBLRJNCFF-IAGOWNOFSA-N 1 0 420.893 3.779 20 5 HHBDRO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000523522887 1012048927 /nfs/dbraw/zinc/04/89/27/1012048927.db2.gz HTWYCTRYCSXPIF-CHWSQXEVSA-N 1 0 405.476 3.819 20 5 HHBDRO Cn1ccnc1[C@H](NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000552045937 1012066080 /nfs/dbraw/zinc/06/60/80/1012066080.db2.gz TYDHPEAAMKWFDD-VQTJNVASSA-N 1 0 413.909 3.964 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000536871160 1012110248 /nfs/dbraw/zinc/11/02/48/1012110248.db2.gz OJXQEESLRKIVOT-LJQANCHMSA-N 1 0 410.518 3.683 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)s1 ZINC000552129958 1012147933 /nfs/dbraw/zinc/14/79/33/1012147933.db2.gz UEQGQWCZZYGNLZ-FQEVSTJZSA-N 1 0 402.516 3.981 20 5 HHBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000552334602 1012344935 /nfs/dbraw/zinc/34/49/35/1012344935.db2.gz RDERRSDHXVINMO-JOCHJYFZSA-N 1 0 411.527 3.812 20 5 HHBDRO O=C1NCCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1Cc1ccccc1 ZINC000552357649 1012366334 /nfs/dbraw/zinc/36/63/34/1012366334.db2.gz KYTMCIFIGMHTHQ-OAQYLSRUSA-N 1 0 405.454 3.788 20 5 HHBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000537049671 1012373583 /nfs/dbraw/zinc/37/35/83/1012373583.db2.gz NTPFJOZMTLQMSP-HNNXBMFYSA-N 1 0 406.442 3.519 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000523757348 1012383505 /nfs/dbraw/zinc/38/35/05/1012383505.db2.gz GEZTVBFHDHOING-IEBWSBKVSA-N 1 0 417.531 3.749 20 5 HHBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000541602659 1012400372 /nfs/dbraw/zinc/40/03/72/1012400372.db2.gz FXMYBRCZZQIFHR-CMPLNLGQSA-N 1 0 413.400 3.648 20 5 HHBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000541602661 1012400408 /nfs/dbraw/zinc/40/04/08/1012400408.db2.gz FXMYBRCZZQIFHR-PWSUYJOCSA-N 1 0 413.400 3.648 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000537064742 1012402046 /nfs/dbraw/zinc/40/20/46/1012402046.db2.gz NEOCMBOJJREEJZ-GFCCVEGCSA-N 1 0 407.854 3.945 20 5 HHBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000537103381 1012469416 /nfs/dbraw/zinc/46/94/16/1012469416.db2.gz WEWXKCVGMOKFEV-INIZCTEOSA-N 1 0 411.433 3.825 20 5 HHBDRO COc1ccc2oc([C@@H](C)[NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)c(C)c2c1 ZINC000541652564 1012475406 /nfs/dbraw/zinc/47/54/06/1012475406.db2.gz XPXBQVDMTIEDIT-ZBFHGGJFSA-N 1 0 400.431 3.749 20 5 HHBDRO COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)c(C)c2c1 ZINC000541652561 1012476019 /nfs/dbraw/zinc/47/60/19/1012476019.db2.gz XPXBQVDMTIEDIT-GDBMZVCRSA-N 1 0 400.431 3.749 20 5 HHBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000523864330 1012561178 /nfs/dbraw/zinc/56/11/78/1012561178.db2.gz NAAPEGYKKURYPD-AWEZNQCLSA-N 1 0 423.922 3.752 20 5 HHBDRO C[C@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000541725842 1012576634 /nfs/dbraw/zinc/57/66/34/1012576634.db2.gz FSYTUSCEWPUNKI-HNNXBMFYSA-N 1 0 415.465 3.680 20 5 HHBDRO C[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1cccc(N2CCCC2)c1 ZINC000537174838 1012582027 /nfs/dbraw/zinc/58/20/27/1012582027.db2.gz GIAWMGOXVTYIOJ-INIZCTEOSA-N 1 0 410.474 3.844 20 5 HHBDRO COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000537175571 1012582283 /nfs/dbraw/zinc/58/22/83/1012582283.db2.gz QDSJXOABRPQBDZ-CVEARBPZSA-N 1 0 415.490 3.757 20 5 HHBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)(F)F)cc1 ZINC000541740327 1012596433 /nfs/dbraw/zinc/59/64/33/1012596433.db2.gz YOGFMWUEPAIFEU-GFCCVEGCSA-N 1 0 418.393 3.618 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000541813926 1012701166 /nfs/dbraw/zinc/70/11/66/1012701166.db2.gz NBOPLARJCAOIOA-DNVCBOLYSA-N 1 0 423.560 3.635 20 5 HHBDRO Cn1cc(C[NH2+]CCc2ccn(-c3ccccc3)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537294669 1012751966 /nfs/dbraw/zinc/75/19/66/1012751966.db2.gz FZFQTZTXJMUTAU-UHFFFAOYSA-N 1 0 402.458 3.513 20 5 HHBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1OC(F)F ZINC000541932222 1012793352 /nfs/dbraw/zinc/79/33/52/1012793352.db2.gz IUSHDMCZVQPKMU-KRWDZBQOSA-N 1 0 407.417 3.765 20 5 HHBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000524122229 1012899414 /nfs/dbraw/zinc/89/94/14/1012899414.db2.gz JPNUPPQPHZIYIT-HKUYNNGSSA-N 1 0 417.531 3.577 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)cc2)C1 ZINC000552962986 1012948739 /nfs/dbraw/zinc/94/87/39/1012948739.db2.gz LLVOUYVICIINMW-IYBDPMFKSA-N 1 0 421.501 4.334 20 5 HHBDRO C[NH+](C)Cc1ccc(-c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4F)n3)n2)cc1 ZINC000904623501 1071817434 /nfs/dbraw/zinc/81/74/34/1071817434.db2.gz GTAPTEMDRYDKPN-UHFFFAOYSA-N 1 0 408.393 3.698 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)c1[N+](=O)[O-] ZINC000614974384 1072012215 /nfs/dbraw/zinc/01/22/15/1072012215.db2.gz ZEINMRFDXVJCPE-UHFFFAOYSA-N 1 0 413.503 3.770 20 5 HHBDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000536750417 1072197770 /nfs/dbraw/zinc/19/77/70/1072197770.db2.gz GXKOAFSJAFGIGU-QGZVFWFLSA-N 1 0 410.478 3.844 20 5 HHBDRO C[C@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000913239411 1072351399 /nfs/dbraw/zinc/35/13/99/1072351399.db2.gz LNZPRBYOGVQRLI-INIZCTEOSA-N 1 0 411.458 3.765 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000570885242 1072401215 /nfs/dbraw/zinc/40/12/15/1072401215.db2.gz ABDBRBMFFNITHK-SFHVURJKSA-N 1 0 422.485 3.905 20 5 HHBDRO CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000760652199 1072478955 /nfs/dbraw/zinc/47/89/55/1072478955.db2.gz CLJZKDIGCKATPP-QGZVFWFLSA-N 1 0 412.446 3.548 20 5 HHBDRO COc1ccc(CC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000571457482 1072625349 /nfs/dbraw/zinc/62/53/49/1072625349.db2.gz VLIORUUYZIEHJM-FQEVSTJZSA-N 1 0 411.502 3.564 20 5 HHBDRO C[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571493307 1072640175 /nfs/dbraw/zinc/64/01/75/1072640175.db2.gz KTVREZYGBKCYSI-IIBYNOLFSA-N 1 0 424.501 3.503 20 5 HHBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000555113460 1073169236 /nfs/dbraw/zinc/16/92/36/1073169236.db2.gz ZUILKLFGQLPKGN-UHFFFAOYSA-N 1 0 410.518 3.965 20 5 HHBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000555263822 1073296319 /nfs/dbraw/zinc/29/63/19/1073296319.db2.gz OXGBGLLJBBVAHH-ZDUSSCGKSA-N 1 0 407.392 3.790 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000589960622 1073405503 /nfs/dbraw/zinc/40/55/03/1073405503.db2.gz MYOWWJMNGXQQIX-KRWDZBQOSA-N 1 0 410.392 3.528 20 5 HHBDRO CCOc1cc(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)c([N+](=O)[O-])cc1OC ZINC000589070945 1073411472 /nfs/dbraw/zinc/41/14/72/1073411472.db2.gz WPKZEYHBBPLZMH-UHFFFAOYSA-N 1 0 419.522 3.873 20 5 HHBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000590021376 1073474550 /nfs/dbraw/zinc/47/45/50/1073474550.db2.gz RCDOOGLSUIIKBT-QGZVFWFLSA-N 1 0 413.243 3.589 20 5 HHBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000590536844 1073914105 /nfs/dbraw/zinc/91/41/05/1073914105.db2.gz BFWBJQHMYPEWAI-JENIJYKNSA-N 1 0 402.539 3.633 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000760812190 1074165401 /nfs/dbraw/zinc/16/54/01/1074165401.db2.gz JIOFNRKNEZOJPB-MCIONIFRSA-N 1 0 410.312 3.835 20 5 HHBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000574614892 1075302683 /nfs/dbraw/zinc/30/26/83/1075302683.db2.gz VHTHBTHDPONOFT-FQEVSTJZSA-N 1 0 410.518 3.739 20 5 HHBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1Cl ZINC001164624536 719045226 /nfs/dbraw/zinc/04/52/26/719045226.db2.gz OEKHYUOOFIGUHU-KSSFIOAISA-N 1 0 408.836 3.772 20 5 HHBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc3ccc4ccc(Cl)nc4c3n1)CC2 ZINC001164687340 719719963 /nfs/dbraw/zinc/71/99/63/719719963.db2.gz WGLUTVLBXBREJM-UHFFFAOYSA-N 1 0 423.948 3.617 20 5 HHBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cnc4ccc([N+](=O)[O-])cc4n2)CC3)cs1 ZINC001164691024 719804584 /nfs/dbraw/zinc/80/45/84/719804584.db2.gz CSDPJPDJLVUBMV-UHFFFAOYSA-N 1 0 424.530 3.938 20 5 HHBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4cccc([N+](=O)[O-])c42)CC3)cs1 ZINC001164702616 719815659 /nfs/dbraw/zinc/81/56/59/719815659.db2.gz SLVZGOSYNAZZPY-UHFFFAOYSA-N 1 0 424.530 3.938 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)ncc3[N+](=O)[O-])C[C@@H]21 ZINC001165025432 721804718 /nfs/dbraw/zinc/80/47/18/721804718.db2.gz OHWBJIHFZIPVLU-BHYGNILZSA-N 1 0 401.898 3.775 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@H]21 ZINC001165020720 721829699 /nfs/dbraw/zinc/82/96/99/721829699.db2.gz DNBXZYKDHOVTBY-ILZDJORESA-N 1 0 418.501 3.670 20 5 HHBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc([N+](=O)[O-])c(C)c4C)CC3)C2)cc1 ZINC001164939888 721927439 /nfs/dbraw/zinc/92/74/39/721927439.db2.gz OYQRKADUWWPCGF-UHFFFAOYSA-N 1 0 410.518 3.786 20 5 HHBDRO Cn1c(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000301280920 970847597 /nfs/dbraw/zinc/84/75/97/970847597.db2.gz KKLWNDBEZWMJON-INIZCTEOSA-N 1 0 423.498 3.573 20 5 HHBDRO COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000301325852 970868636 /nfs/dbraw/zinc/86/86/36/970868636.db2.gz ARLWSDKXIRRBMR-HUUCEWRRSA-N 1 0 403.454 3.964 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000301490997 970954954 /nfs/dbraw/zinc/95/49/54/970954954.db2.gz BGEUPXAREAMLPA-AWEZNQCLSA-N 1 0 405.296 3.853 20 5 HHBDRO O=C1COc2cc([N+](=O)[O-])c(NCc3cccc(C[NH+]4CCCCCC4)c3)cc2N1 ZINC000301702140 971033782 /nfs/dbraw/zinc/03/37/82/971033782.db2.gz UBOUZBGSMAUCTD-UHFFFAOYSA-N 1 0 410.474 3.914 20 5 HHBDRO O=c1[nH]cnc2cc(N3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)c([N+](=O)[O-])cc21 ZINC000301724917 971042942 /nfs/dbraw/zinc/04/29/42/971042942.db2.gz UHIDWOMUVGKRPA-YLJYHZDGSA-N 1 0 419.485 3.735 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301764294 971058170 /nfs/dbraw/zinc/05/81/70/971058170.db2.gz GXBXKQIXWZKCBD-FZMZJTMJSA-N 1 0 414.384 3.975 20 5 HHBDRO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](C4c5ccccc5-c5ccccc54)CC3)nn21 ZINC000301951863 971131122 /nfs/dbraw/zinc/13/11/22/971131122.db2.gz JCVWNOKFTQNCPR-UHFFFAOYSA-N 1 0 412.453 3.530 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000302035304 971157496 /nfs/dbraw/zinc/15/74/96/971157496.db2.gz JQXKPVDPSLCZDQ-RTBURBONSA-N 1 0 414.550 3.922 20 5 HHBDRO CN(c1ccc([N+](=O)[O-])cc1Br)C1CC[NH+](CCc2ccccn2)CC1 ZINC000302704792 971285285 /nfs/dbraw/zinc/28/52/85/971285285.db2.gz YESMOOWFHIMKFE-UHFFFAOYSA-N 1 0 419.323 3.896 20 5 HHBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000302725628 971292568 /nfs/dbraw/zinc/29/25/68/971292568.db2.gz RSKLFQVWQAFYAQ-UHFFFAOYSA-N 1 0 403.504 3.596 20 5 HHBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000553139394 1013098605 /nfs/dbraw/zinc/09/86/05/1013098605.db2.gz MJJMIXOMCDJWSA-UYAOXDASSA-N 1 0 424.501 3.576 20 5 HHBDRO O=C(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc2ccccc21 ZINC000303663799 971942749 /nfs/dbraw/zinc/94/27/49/971942749.db2.gz DVMYEIHWPDKSDM-KRWDZBQOSA-N 1 0 405.458 3.658 20 5 HHBDRO C[C@@H]1C[C@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303723156 971977153 /nfs/dbraw/zinc/97/71/53/971977153.db2.gz BMHKWDYPMWFOHX-UYAOXDASSA-N 1 0 410.518 3.908 20 5 HHBDRO C[C@H]1C[C@@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000303777953 972022716 /nfs/dbraw/zinc/02/27/16/972022716.db2.gz RYBMNPJKQZQVAU-RDJZCZTQSA-N 1 0 407.474 3.596 20 5 HHBDRO COc1ccc(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000524323270 1013141490 /nfs/dbraw/zinc/14/14/90/1013141490.db2.gz WCRHLNLGEABZON-KRWDZBQOSA-N 1 0 411.502 3.694 20 5 HHBDRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000542208984 1013153523 /nfs/dbraw/zinc/15/35/23/1013153523.db2.gz NABSLEZOSZSSQG-GOSISDBHSA-N 1 0 407.470 3.914 20 5 HHBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000524339655 1013165568 /nfs/dbraw/zinc/16/55/68/1013165568.db2.gz CNGKJJRSLTVDKQ-SJCJKPOMSA-N 1 0 409.364 3.950 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303827742 972363606 /nfs/dbraw/zinc/36/36/06/972363606.db2.gz QHFBLGPEPNPXFS-HKUYNNGSSA-N 1 0 417.531 3.577 20 5 HHBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000542256722 1013216804 /nfs/dbraw/zinc/21/68/04/1013216804.db2.gz ZIJUCYBYXYYMQF-INIZCTEOSA-N 1 0 414.430 3.711 20 5 HHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000007257835 961093555 /nfs/dbraw/zinc/09/35/55/961093555.db2.gz UICQGUAAALODJV-UHFFFAOYSA-N 1 0 410.518 3.967 20 5 HHBDRO CCOc1cc(C[N@@H+]2CC[C@H](CC)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000537688782 1013252725 /nfs/dbraw/zinc/25/27/25/1013252725.db2.gz VWXIJOLHSNNRMF-KRWDZBQOSA-N 1 0 402.495 3.809 20 5 HHBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000537729216 1013290370 /nfs/dbraw/zinc/29/03/70/1013290370.db2.gz CYMMVRDSJAMEJY-HXUWFJFHSA-N 1 0 415.515 3.649 20 5 HHBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000537778896 1013340907 /nfs/dbraw/zinc/34/09/07/1013340907.db2.gz WPKNXMLCZIZWNS-UHFFFAOYSA-N 1 0 421.501 3.779 20 5 HHBDRO CC[N@H+](CCC1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000537827763 1013391341 /nfs/dbraw/zinc/39/13/41/1013391341.db2.gz NKPDVKCBPUVURI-UHFFFAOYSA-N 1 0 414.550 3.825 20 5 HHBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024189630 963955313 /nfs/dbraw/zinc/95/53/13/963955313.db2.gz RTZCBNNOPGXJCS-UHFFFAOYSA-N 1 0 422.529 3.723 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025056790 964156869 /nfs/dbraw/zinc/15/68/69/964156869.db2.gz ZIFSEMDQLYUCQZ-UHFFFAOYSA-N 1 0 411.458 3.527 20 5 HHBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000542531737 1013475066 /nfs/dbraw/zinc/47/50/66/1013475066.db2.gz GCWHIKHKSIBXDP-NSHDSACASA-N 1 0 413.400 3.568 20 5 HHBDRO COc1cc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC(F)F ZINC000026225325 964492291 /nfs/dbraw/zinc/49/22/91/964492291.db2.gz HFJSAKJOXALOTI-UHFFFAOYSA-N 1 0 423.416 3.974 20 5 HHBDRO COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000542582181 1013523413 /nfs/dbraw/zinc/52/34/13/1013523413.db2.gz FCXDHYQOHMVZOR-HUUCEWRRSA-N 1 0 400.431 3.749 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cccc1[N+](=O)[O-] ZINC000553659196 1013527212 /nfs/dbraw/zinc/52/72/12/1013527212.db2.gz KFFJRGHOISKWJV-QFIPXVFZSA-N 1 0 411.458 3.744 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000537946390 1013529021 /nfs/dbraw/zinc/52/90/21/1013529021.db2.gz CWOUTJMEWXWSPO-SJCJKPOMSA-N 1 0 411.380 3.654 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(Nc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 ZINC000052406904 964898206 /nfs/dbraw/zinc/89/82/06/964898206.db2.gz BRUWRAQYYRNATP-UHFFFAOYSA-N 1 0 414.462 3.689 20 5 HHBDRO COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000537959455 1013538972 /nfs/dbraw/zinc/53/89/72/1013538972.db2.gz HGWYWZHDUHAFMZ-QRQLOZEOSA-N 1 0 409.486 3.710 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000537965863 1013543029 /nfs/dbraw/zinc/54/30/29/1013543029.db2.gz IBXYZMVKSSRNFR-SFHVURJKSA-N 1 0 408.907 3.633 20 5 HHBDRO COc1ccc(C[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000053097629 965060318 /nfs/dbraw/zinc/06/03/18/965060318.db2.gz USXYMRDLDONABL-HNNXBMFYSA-N 1 0 413.474 3.851 20 5 HHBDRO CC1CC[NH+](Cc2ccc(CNc3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])cc2)CC1 ZINC000029529470 965402632 /nfs/dbraw/zinc/40/26/32/965402632.db2.gz OHUVXJHVWCZUHL-UHFFFAOYSA-N 1 0 407.474 3.675 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000054260448 965446780 /nfs/dbraw/zinc/44/67/80/965446780.db2.gz VNWBSPLRJHCSDW-HDICACEKSA-N 1 0 416.566 3.684 20 5 HHBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000054286358 965461005 /nfs/dbraw/zinc/46/10/05/965461005.db2.gz KQFPXZDNQNXUOI-ZDUSSCGKSA-N 1 0 417.428 3.776 20 5 HHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000054644513 965592183 /nfs/dbraw/zinc/59/21/83/965592183.db2.gz KFCUYLFLOZCLLT-UHFFFAOYSA-N 1 0 416.909 3.755 20 5 HHBDRO CCOc1cc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c([N+](=O)[O-])cc1OCC ZINC000058418244 965724809 /nfs/dbraw/zinc/72/48/09/965724809.db2.gz BFBKBNVKIFPEDC-UHFFFAOYSA-N 1 0 408.499 3.730 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000542691232 1013610593 /nfs/dbraw/zinc/61/05/93/1013610593.db2.gz FJQPICMBRUSVFT-UHFFFAOYSA-N 1 0 412.467 3.951 20 5 HHBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031220975 965942785 /nfs/dbraw/zinc/94/27/85/965942785.db2.gz CSPWJAOMWOISGI-UHFFFAOYSA-N 1 0 419.485 3.696 20 5 HHBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031220796 965943017 /nfs/dbraw/zinc/94/30/17/965943017.db2.gz HDCGATITYQPSNF-UHFFFAOYSA-N 1 0 419.485 3.696 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCNc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000058949264 965968879 /nfs/dbraw/zinc/96/88/79/965968879.db2.gz KHFKOOWXGNNHTR-SFHVURJKSA-N 1 0 410.518 3.945 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000059286456 966009699 /nfs/dbraw/zinc/00/96/99/966009699.db2.gz VNCYGOVZGRBFJP-HDICACEKSA-N 1 0 411.502 3.768 20 5 HHBDRO COc1ccc([C@H](CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000060063758 966055842 /nfs/dbraw/zinc/05/58/42/966055842.db2.gz GVDRYLLGDSHJCK-NRFANRHFSA-N 1 0 413.474 3.569 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000060089832 966059753 /nfs/dbraw/zinc/05/97/53/966059753.db2.gz SAOWYKUNEFHBFW-IBGZPJMESA-N 1 0 411.458 3.840 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1OC ZINC000056326977 966303958 /nfs/dbraw/zinc/30/39/58/966303958.db2.gz DVVSTLZLYMDORF-UHFFFAOYSA-N 1 0 413.474 3.893 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000032666787 966306670 /nfs/dbraw/zinc/30/66/70/966306670.db2.gz IFZXPHADQJBZMQ-IBGZPJMESA-N 1 0 413.503 3.655 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000538119339 1013680856 /nfs/dbraw/zinc/68/08/56/1013680856.db2.gz FPKZAIAZGFRPSX-GFCCVEGCSA-N 1 0 409.389 3.884 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000538120006 1013682488 /nfs/dbraw/zinc/68/24/88/1013682488.db2.gz KGAVAHJDOBIZJO-RYUDHWBXSA-N 1 0 409.389 3.883 20 5 HHBDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000063549826 966887851 /nfs/dbraw/zinc/88/78/51/966887851.db2.gz NUKNEPQVNVWMDU-UHFFFAOYSA-N 1 0 419.547 3.836 20 5 HHBDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OC ZINC000538122710 1013684854 /nfs/dbraw/zinc/68/48/54/1013684854.db2.gz NHPPBLZLSWUQHJ-NSHDSACASA-N 1 0 423.853 3.563 20 5 HHBDRO Cn1ccnc1C(=O)c1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000064113134 967051241 /nfs/dbraw/zinc/05/12/41/967051241.db2.gz KYOXBLXDGKGVFN-OAQYLSRUSA-N 1 0 419.485 3.808 20 5 HHBDRO C[NH+](C)C[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000542840354 1013702101 /nfs/dbraw/zinc/70/21/01/1013702101.db2.gz MCHOKIAYPXISRU-SFHVURJKSA-N 1 0 405.502 3.831 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000064724281 967276018 /nfs/dbraw/zinc/27/60/18/967276018.db2.gz GOQODQCMPNBBQG-MAUKXSAKSA-N 1 0 417.893 3.796 20 5 HHBDRO COc1cc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C ZINC000538167147 1013727539 /nfs/dbraw/zinc/72/75/39/1013727539.db2.gz LEGKRKLHEDEGMU-MRXNPFEDSA-N 1 0 415.490 3.952 20 5 HHBDRO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000045941944 967603265 /nfs/dbraw/zinc/60/32/65/967603265.db2.gz NYOZWMOLNOETLO-UHFFFAOYSA-N 1 0 410.474 3.591 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000538181173 1013739655 /nfs/dbraw/zinc/73/96/55/1013739655.db2.gz SWVYLHHLPPPIBP-NVXWUHKLSA-N 1 0 402.344 3.757 20 5 HHBDRO CC(C)Oc1ccc([C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[NH+](C)C)cc1 ZINC000554015079 1013754439 /nfs/dbraw/zinc/75/44/39/1013754439.db2.gz JWRDVNXXMOAABM-JOCHJYFZSA-N 1 0 424.501 3.756 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000542944812 1013777492 /nfs/dbraw/zinc/77/74/92/1013777492.db2.gz BXBWAWCXIRYJHU-UHFFFAOYSA-N 1 0 401.511 3.979 20 5 HHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000538231714 1013780640 /nfs/dbraw/zinc/78/06/40/1013780640.db2.gz VCUUXWFKHUMIMW-QWHCGFSZSA-N 1 0 414.853 3.507 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-c2ccncc2)cc1 ZINC000538235074 1013783955 /nfs/dbraw/zinc/78/39/55/1013783955.db2.gz VZPYZVAOPZOIJD-AWEZNQCLSA-N 1 0 420.425 3.675 20 5 HHBDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 ZINC000554083216 1013791109 /nfs/dbraw/zinc/79/11/09/1013791109.db2.gz SGZKHTHZYMDHRH-UHFFFAOYSA-N 1 0 416.503 3.849 20 5 HHBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1 ZINC000554111864 1013803307 /nfs/dbraw/zinc/80/33/07/1013803307.db2.gz JAVHGMVVIKCMBR-PMUMKWKESA-N 1 0 400.504 3.521 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000538269206 1013809822 /nfs/dbraw/zinc/80/98/22/1013809822.db2.gz VPOMLQOEZVRNBT-LSDHHAIUSA-N 1 0 423.473 3.775 20 5 HHBDRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000538275806 1013814478 /nfs/dbraw/zinc/81/44/78/1013814478.db2.gz BQLZEUODYYTRFM-INIZCTEOSA-N 1 0 412.490 3.675 20 5 HHBDRO CC[NH+](CC)CCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000069139638 968816032 /nfs/dbraw/zinc/81/60/32/968816032.db2.gz UDNQHABVSZMITI-UHFFFAOYSA-N 1 0 404.898 3.932 20 5 HHBDRO CCc1ccc([C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000069233309 968822685 /nfs/dbraw/zinc/82/26/85/968822685.db2.gz HVPSPZAMQXUPGT-QFIPXVFZSA-N 1 0 410.518 3.790 20 5 HHBDRO CC1CC[NH+]([C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000072006496 968928736 /nfs/dbraw/zinc/92/87/36/968928736.db2.gz ZFLKFWVQUPCPIE-HXUWFJFHSA-N 1 0 412.446 3.706 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000538313938 1013844631 /nfs/dbraw/zinc/84/46/31/1013844631.db2.gz WHTJJKMETODPHO-PXAMLJHWSA-N 1 0 417.531 3.989 20 5 HHBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1 ZINC000538315968 1013845921 /nfs/dbraw/zinc/84/59/21/1013845921.db2.gz STTYQKLXJIKXKC-UHFFFAOYSA-N 1 0 406.442 3.850 20 5 HHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000105521170 969243421 /nfs/dbraw/zinc/24/34/21/969243421.db2.gz NECXFMXIGPMIAD-MRXNPFEDSA-N 1 0 416.909 3.783 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000109404118 969513220 /nfs/dbraw/zinc/51/32/20/969513220.db2.gz NXQCSZSTFPBIOA-CQSZACIVSA-N 1 0 416.444 3.652 20 5 HHBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000109827233 969573115 /nfs/dbraw/zinc/57/31/15/969573115.db2.gz OXTVLXXPWXEIGY-IRXDYDNUSA-N 1 0 411.506 3.623 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)c1 ZINC000554308785 1013904118 /nfs/dbraw/zinc/90/41/18/1013904118.db2.gz DMNBTBQQVSRQHJ-GOSISDBHSA-N 1 0 413.449 3.835 20 5 HHBDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000111040308 969765415 /nfs/dbraw/zinc/76/54/15/969765415.db2.gz BREXENDOKISPNP-UHFFFAOYSA-N 1 0 411.437 3.627 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000554376452 1013925113 /nfs/dbraw/zinc/92/51/13/1013925113.db2.gz QUZSYRGJGLEKMK-DZGCQCFKSA-N 1 0 417.428 3.978 20 5 HHBDRO CS(=O)(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000201371233 970004541 /nfs/dbraw/zinc/00/45/41/970004541.db2.gz RXZVRABPUORXGQ-AYHJJNSGSA-N 1 0 415.515 3.606 20 5 HHBDRO COc1cccc(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1[N+](=O)[O-] ZINC000554414578 1013938909 /nfs/dbraw/zinc/93/89/09/1013938909.db2.gz HZYCFLIMBVLDJN-UHFFFAOYSA-N 1 0 409.486 3.732 20 5 HHBDRO CC1CC[NH+](CCCNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000140309426 970072066 /nfs/dbraw/zinc/07/20/66/970072066.db2.gz DDGZRDQUQIXXOX-GOSISDBHSA-N 1 0 402.539 3.683 20 5 HHBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000227435427 970118249 /nfs/dbraw/zinc/11/82/49/970118249.db2.gz OPQGUQQVTGTTSR-MJBXVCDLSA-N 1 0 417.428 3.632 20 5 HHBDRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236591443 970144196 /nfs/dbraw/zinc/14/41/96/970144196.db2.gz FEXGBYMJBZDFNU-UHFFFAOYSA-N 1 0 400.884 3.811 20 5 HHBDRO CC1CCN(c2ccc(C[NH2+]Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000236735476 970166186 /nfs/dbraw/zinc/16/61/86/970166186.db2.gz XPVZMEHKJSXGNX-UHFFFAOYSA-N 1 0 420.517 3.916 20 5 HHBDRO CC[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000236994770 970202781 /nfs/dbraw/zinc/20/27/81/970202781.db2.gz UZCQLEWOUNAMEX-QFIPXVFZSA-N 1 0 419.529 3.922 20 5 HHBDRO COCCOc1cc(C)ccc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237097159 970221142 /nfs/dbraw/zinc/22/11/42/970221142.db2.gz OTCFFZWFCZPMDA-UHFFFAOYSA-N 1 0 410.474 3.619 20 5 HHBDRO COc1cc(CNC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237110258 970224530 /nfs/dbraw/zinc/22/45/30/970224530.db2.gz CYEPRSQEPXCIMZ-UHFFFAOYSA-N 1 0 405.417 3.507 20 5 HHBDRO COc1cc(C[NH2+]Cc2cccc(N(C)C)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237113753 970224736 /nfs/dbraw/zinc/22/47/36/970224736.db2.gz CPFNQVDXXXMGAB-UHFFFAOYSA-N 1 0 413.396 3.900 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCC[C@]2(C)CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237244930 970247551 /nfs/dbraw/zinc/24/75/51/970247551.db2.gz OLLLNPYOCHMXCU-FCHUYYIVSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1ccc(CCC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000237244683 970247898 /nfs/dbraw/zinc/24/78/98/970247898.db2.gz YDDXLUZLDPNRIM-UHFFFAOYSA-N 1 0 410.474 3.735 20 5 HHBDRO COc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000237353887 970269040 /nfs/dbraw/zinc/26/90/40/970269040.db2.gz QCNJOAPYRZFBEP-HXUWFJFHSA-N 1 0 405.454 3.943 20 5 HHBDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237410208 970280634 /nfs/dbraw/zinc/28/06/34/970280634.db2.gz USSOMCRYLPTOKO-QFYYESIMSA-N 1 0 415.309 3.819 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccnc(-n4cccn4)c3)o2)c([N+](=O)[O-])c1 ZINC000237421997 970282432 /nfs/dbraw/zinc/28/24/32/970282432.db2.gz DWRCKVWPHYNGSN-UHFFFAOYSA-N 1 0 405.414 3.734 20 5 HHBDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237421468 970282589 /nfs/dbraw/zinc/28/25/89/970282589.db2.gz USSOMCRYLPTOKO-MGPLVRAMSA-N 1 0 415.309 3.819 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]CCNC(=O)c3ccc(C)cc3)o2)c([N+](=O)[O-])c1 ZINC000237426981 970283911 /nfs/dbraw/zinc/28/39/11/970283911.db2.gz YEVXPHXPBKUCCP-UHFFFAOYSA-N 1 0 409.442 3.691 20 5 HHBDRO COc1cc(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237441578 970289471 /nfs/dbraw/zinc/28/94/71/970289471.db2.gz ZBNVLQPMFIZVEU-LPHOPBHVSA-N 1 0 411.502 3.897 20 5 HHBDRO C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000237695727 970341368 /nfs/dbraw/zinc/34/13/68/970341368.db2.gz BLCARUAOJRMLKI-LAUBAEHRSA-N 1 0 405.502 3.748 20 5 HHBDRO Cc1ccc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000237735608 970349965 /nfs/dbraw/zinc/34/99/65/970349965.db2.gz XXCADNMQKCUFOQ-UHFFFAOYSA-N 1 0 406.280 3.575 20 5 HHBDRO Cn1cc(C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237778729 970364693 /nfs/dbraw/zinc/36/46/93/970364693.db2.gz VTQRDLLOPIWFNJ-UHFFFAOYSA-N 1 0 406.421 3.610 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000237875806 970386783 /nfs/dbraw/zinc/38/67/83/970386783.db2.gz WKUXPEKACCVLAD-HXRGIAOBSA-N 1 0 401.894 3.925 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000237904701 970391828 /nfs/dbraw/zinc/39/18/28/970391828.db2.gz QTFPPCSSHSCHCM-IBGZPJMESA-N 1 0 409.408 3.777 20 5 HHBDRO Cc1cc(C)c(NC(=O)C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000237916494 970393795 /nfs/dbraw/zinc/39/37/95/970393795.db2.gz RQDDNAQNLWMAGB-UHFFFAOYSA-N 1 0 407.474 3.649 20 5 HHBDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)N2CCOCC2)o1 ZINC000237974999 970408909 /nfs/dbraw/zinc/40/89/09/970408909.db2.gz PQJKBLZDHWESJI-HXUWFJFHSA-N 1 0 411.458 3.919 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@H](O)C2CCOCC2)cc1 ZINC000238063476 970432046 /nfs/dbraw/zinc/43/20/46/970432046.db2.gz JHULYCYQHFGEJC-IBGZPJMESA-N 1 0 406.866 3.918 20 5 HHBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc(OC)c(OC)c1 ZINC000164385774 970447096 /nfs/dbraw/zinc/44/70/96/970447096.db2.gz YMKMCRMLTAUTST-UHFFFAOYSA-N 1 0 401.463 3.771 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000195609852 970552293 /nfs/dbraw/zinc/55/22/93/970552293.db2.gz DIMJJSYCFACNBU-INIZCTEOSA-N 1 0 423.517 3.767 20 5 HHBDRO CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000261395979 970649911 /nfs/dbraw/zinc/64/99/11/970649911.db2.gz JERUSFIWOFOFKZ-DNVCBOLYSA-N 1 0 413.474 3.848 20 5 HHBDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000410046176 973527272 /nfs/dbraw/zinc/52/72/72/973527272.db2.gz BYFJFFRQAVGERZ-OAQYLSRUSA-N 1 0 411.502 3.563 20 5 HHBDRO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC([NH+]2CCCC2)CC1 ZINC000426478961 974475255 /nfs/dbraw/zinc/47/52/55/974475255.db2.gz GNRDXMLKBYHIEW-UHFFFAOYSA-N 1 0 409.486 3.874 20 5 HHBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000427055559 974862185 /nfs/dbraw/zinc/86/21/85/974862185.db2.gz WMTIJLHMYWXJLP-NQIIRXRSSA-N 1 0 409.486 3.730 20 5 HHBDRO C[C@H]1C[NH+](CCC2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000427297928 975033821 /nfs/dbraw/zinc/03/38/21/975033821.db2.gz XZEHWAAEOJKOHZ-HOTGVXAUSA-N 1 0 423.941 3.529 20 5 HHBDRO CCc1ccc(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000427342970 975066046 /nfs/dbraw/zinc/06/60/46/975066046.db2.gz UDSQUOXEDFKFRW-CALCHBBNSA-N 1 0 403.523 3.509 20 5 HHBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000427443970 975121762 /nfs/dbraw/zinc/12/17/62/975121762.db2.gz XSTURNXQIDPVTD-UHFFFAOYSA-N 1 0 400.401 3.813 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000427864255 975327220 /nfs/dbraw/zinc/32/72/20/975327220.db2.gz DSHBDULVDBOTCT-GFCCVEGCSA-N 1 0 401.854 3.642 20 5 HHBDRO CC[C@@H]1CN(CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCO1 ZINC000428068865 975416405 /nfs/dbraw/zinc/41/64/05/975416405.db2.gz CXBNIPZXJROFBU-GOSISDBHSA-N 1 0 421.563 3.718 20 5 HHBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000428457612 975762557 /nfs/dbraw/zinc/76/25/57/975762557.db2.gz KDFSCOZKACNFGO-OALUTQOASA-N 1 0 414.506 3.952 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)c(Cl)c1 ZINC000428548423 975856896 /nfs/dbraw/zinc/85/68/96/975856896.db2.gz NULMFWWWQWKOFV-ZDUSSCGKSA-N 1 0 413.699 3.952 20 5 HHBDRO COc1cc(C[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000428568088 975878901 /nfs/dbraw/zinc/87/89/01/975878901.db2.gz CQJMXMRJFAELPD-VXKWHMMOSA-N 1 0 418.465 3.615 20 5 HHBDRO NC(=O)c1ccc(C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)c(F)c1 ZINC000428815436 976094655 /nfs/dbraw/zinc/09/46/55/976094655.db2.gz JDJSGZGEPXBJOR-UHFFFAOYSA-N 1 0 424.432 3.695 20 5 HHBDRO COc1ccc(NC(=O)CC[NH+]2CCC(c3ncccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000429211323 976504955 /nfs/dbraw/zinc/50/49/55/976504955.db2.gz DOFUNQWYBNSPCH-UHFFFAOYSA-N 1 0 418.881 3.860 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000429220282 976514293 /nfs/dbraw/zinc/51/42/93/976514293.db2.gz NGDIAXYFEBEXOZ-CALCHBBNSA-N 1 0 404.511 3.646 20 5 HHBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000429536942 976798652 /nfs/dbraw/zinc/79/86/52/976798652.db2.gz LOKMRZYNSLKYSP-DENIHFKCSA-N 1 0 410.518 3.999 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000429914295 977189126 /nfs/dbraw/zinc/18/91/26/977189126.db2.gz OMTHEPFPYFSEOM-HXUWFJFHSA-N 1 0 411.502 3.834 20 5 HHBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429929947 977206418 /nfs/dbraw/zinc/20/64/18/977206418.db2.gz UDQJSOXFDBIOOB-UHFFFAOYSA-N 1 0 418.291 3.752 20 5 HHBDRO Cc1cc(OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)ccc1[N+](=O)[O-] ZINC000430420234 977533770 /nfs/dbraw/zinc/53/37/70/977533770.db2.gz WGWNCFLJJVSRLK-UHFFFAOYSA-N 1 0 415.515 3.778 20 5 HHBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000430553945 977628431 /nfs/dbraw/zinc/62/84/31/977628431.db2.gz FJQWBHLGNOQKIX-UHFFFAOYSA-N 1 0 410.518 3.790 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000430662395 977675259 /nfs/dbraw/zinc/67/52/59/977675259.db2.gz IBLAFWUOQRABFE-PXNSSMCTSA-N 1 0 406.486 3.719 20 5 HHBDRO Cc1cc(OCC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000430817177 977774182 /nfs/dbraw/zinc/77/41/82/977774182.db2.gz QMYHHBVUVAKOTF-ICSRJNTNSA-N 1 0 411.502 3.699 20 5 HHBDRO Cc1cc(OCC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000430817176 977774443 /nfs/dbraw/zinc/77/44/43/977774443.db2.gz QMYHHBVUVAKOTF-AZUAARDMSA-N 1 0 411.502 3.699 20 5 HHBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000430861057 977819466 /nfs/dbraw/zinc/81/94/66/977819466.db2.gz AFWAJDHCLXRULC-AVRDEDQJSA-N 1 0 408.502 3.763 20 5 HHBDRO CCOc1cc(C[N@H+]2CC(C)=C[C@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000430869128 977832625 /nfs/dbraw/zinc/83/26/25/977832625.db2.gz PMCZBLSHXMKGPM-INIZCTEOSA-N 1 0 414.506 3.975 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000430933634 977898427 /nfs/dbraw/zinc/89/84/27/977898427.db2.gz LMSLPSWAMNZNDR-FQEVSTJZSA-N 1 0 411.502 3.956 20 5 HHBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000431025237 977962752 /nfs/dbraw/zinc/96/27/52/977962752.db2.gz RXIYULQWSMQJMW-HNNXBMFYSA-N 1 0 424.339 3.941 20 5 HHBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000431039577 977971211 /nfs/dbraw/zinc/97/12/11/977971211.db2.gz XYNVRZAJOGMKMH-UHFFFAOYSA-N 1 0 412.328 3.941 20 5 HHBDRO CC[C@H](NC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000431098351 978017119 /nfs/dbraw/zinc/01/71/19/978017119.db2.gz PFHNKKOOJLIKMF-SFHVURJKSA-N 1 0 400.483 3.639 20 5 HHBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431164612 978065332 /nfs/dbraw/zinc/06/53/32/978065332.db2.gz YGLLLDCKIXROPF-UHFFFAOYSA-N 1 0 418.291 3.883 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000431479889 978322838 /nfs/dbraw/zinc/32/28/38/978322838.db2.gz YTNLOYGTRYDUMI-UHFFFAOYSA-N 1 0 409.486 3.874 20 5 HHBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431510751 978339504 /nfs/dbraw/zinc/33/95/04/978339504.db2.gz IDCINWSCEUJHHX-UHFFFAOYSA-N 1 0 418.291 3.883 20 5 HHBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000431772164 978500470 /nfs/dbraw/zinc/50/04/70/978500470.db2.gz KRCGZFGQFIHFKO-UHFFFAOYSA-N 1 0 418.291 3.705 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1C ZINC000431915289 978597975 /nfs/dbraw/zinc/59/79/75/978597975.db2.gz AGZGIEMKPSBHKK-HKUYNNGSSA-N 1 0 417.531 3.543 20 5 HHBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000431918549 978600111 /nfs/dbraw/zinc/60/01/11/978600111.db2.gz JCGRIDHZTDHRTH-RHSMWYFYSA-N 1 0 423.922 3.580 20 5 HHBDRO C[NH+](C)CCCOc1ccc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000431990463 978634082 /nfs/dbraw/zinc/63/40/82/978634082.db2.gz AXVUYSQRCUESMA-UHFFFAOYSA-N 1 0 414.506 3.660 20 5 HHBDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433256644 979190129 /nfs/dbraw/zinc/19/01/29/979190129.db2.gz BAVMEKMQHNSWLD-SFTDATJTSA-N 1 0 406.486 3.745 20 5 HHBDRO Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435288490 980761408 /nfs/dbraw/zinc/76/14/08/980761408.db2.gz KKDCMRCGNPGOGZ-OAQYLSRUSA-N 1 0 419.485 3.728 20 5 HHBDRO Cc1c(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435334139 980792564 /nfs/dbraw/zinc/79/25/64/980792564.db2.gz WUMWSELRVHGJLN-GFCCVEGCSA-N 1 0 413.316 3.860 20 5 HHBDRO C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[NH+]1CCC(C)CC1 ZINC000436320417 981297013 /nfs/dbraw/zinc/29/70/13/981297013.db2.gz VVBBFYGHFCNDLA-CQSZACIVSA-N 1 0 413.468 3.810 20 5 HHBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 ZINC000436354621 981320526 /nfs/dbraw/zinc/32/05/26/981320526.db2.gz QKEDFHLQZFFKST-UHFFFAOYSA-N 1 0 415.493 3.552 20 5 HHBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000436362013 981325287 /nfs/dbraw/zinc/32/52/87/981325287.db2.gz IEDWZCSDWZGQNU-OAHLLOKOSA-N 1 0 410.396 3.712 20 5 HHBDRO C[C@@H]1C[NH+](CCC2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000436403570 981350558 /nfs/dbraw/zinc/35/05/58/981350558.db2.gz JAYBDKSFBFAPNH-ZIAGYGMSSA-N 1 0 416.444 3.724 20 5 HHBDRO CCOc1cc(NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c([N+](=O)[O-])cc1OCC ZINC000448371721 981730480 /nfs/dbraw/zinc/73/04/80/981730480.db2.gz FLOACKUZSUPFFS-MRXNPFEDSA-N 1 0 422.526 3.882 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCCOCCc4ccccc4)CC3)nc2c1 ZINC000460354025 982127596 /nfs/dbraw/zinc/12/75/96/982127596.db2.gz RRMNGLPHXUSHIV-UHFFFAOYSA-N 1 0 423.517 3.633 20 5 HHBDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(C)C)C[C@H]1C ZINC000460602855 982383875 /nfs/dbraw/zinc/38/38/75/982383875.db2.gz DIAATURWRRLLFG-VQIMIIECSA-N 1 0 400.527 3.818 20 5 HHBDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000438258787 982685576 /nfs/dbraw/zinc/68/55/76/982685576.db2.gz LELBMCZTYUOCNX-OAHLLOKOSA-N 1 0 405.882 3.539 20 5 HHBDRO COc1cc(C[NH2+]C[C@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000438365418 982748269 /nfs/dbraw/zinc/74/82/69/982748269.db2.gz QYHUHXUQIKHFPT-IBGZPJMESA-N 1 0 402.438 3.668 20 5 HHBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000461098510 982791557 /nfs/dbraw/zinc/79/15/57/982791557.db2.gz AKBASKWXEVBHNU-UHFFFAOYSA-N 1 0 409.530 3.988 20 5 HHBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000438455973 982808288 /nfs/dbraw/zinc/80/82/88/982808288.db2.gz DHMWKDSLFYSYMJ-UHFFFAOYSA-N 1 0 416.528 3.984 20 5 HHBDRO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000461375317 983049411 /nfs/dbraw/zinc/04/94/11/983049411.db2.gz KJBULSOBXKBOTI-KRWDZBQOSA-N 1 0 412.490 3.533 20 5 HHBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461421708 983084968 /nfs/dbraw/zinc/08/49/68/983084968.db2.gz BVNPIWHLBAYFLE-RBUKOAKNSA-N 1 0 411.527 3.667 20 5 HHBDRO CO[C@@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCOC1 ZINC000461424624 983087592 /nfs/dbraw/zinc/08/75/92/983087592.db2.gz HTMCUKCEAZPRCA-QGZVFWFLSA-N 1 0 411.252 3.512 20 5 HHBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461428751 983091597 /nfs/dbraw/zinc/09/15/97/983091597.db2.gz NADIHVSCOGFADC-QZTJIDSGSA-N 1 0 404.470 3.670 20 5 HHBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461432786 983095646 /nfs/dbraw/zinc/09/56/46/983095646.db2.gz VSFQAJGOPYLDKI-ZWKOTPCHSA-N 1 0 404.470 3.670 20 5 HHBDRO COc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000461438103 983101802 /nfs/dbraw/zinc/10/18/02/983101802.db2.gz KGTRXZDUXLZWCI-AZUAARDMSA-N 1 0 409.486 3.506 20 5 HHBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461438906 983102549 /nfs/dbraw/zinc/10/25/49/983102549.db2.gz NTBNXHZTKXKDSV-HNNXBMFYSA-N 1 0 400.504 3.666 20 5 HHBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461455374 983121312 /nfs/dbraw/zinc/12/13/12/983121312.db2.gz JXYYMFLLOPIHAY-UXHICEINSA-N 1 0 420.513 3.763 20 5 HHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000438948350 983173069 /nfs/dbraw/zinc/17/30/69/983173069.db2.gz OLONVIIDPDXYQQ-UHFFFAOYSA-N 1 0 402.882 3.940 20 5 HHBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)cccc1[N+](=O)[O-] ZINC000438993631 983199949 /nfs/dbraw/zinc/19/99/49/983199949.db2.gz CDSAPSKXRPUDRI-YHEJVBIMSA-N 1 0 403.523 3.883 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000439140637 983270004 /nfs/dbraw/zinc/27/00/04/983270004.db2.gz PFEHBECPICEWNM-UHFFFAOYSA-N 1 0 402.882 3.951 20 5 HHBDRO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000439489259 983427480 /nfs/dbraw/zinc/42/74/80/983427480.db2.gz BMGNDHOAJQAVLK-YCRPNKLZSA-N 1 0 414.462 3.589 20 5 HHBDRO COc1cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000439776976 983534478 /nfs/dbraw/zinc/53/44/78/983534478.db2.gz YWWJDWQGICBJAA-KESTWPANSA-N 1 0 400.475 3.918 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000439884063 983569181 /nfs/dbraw/zinc/56/91/81/983569181.db2.gz VUAVRTURCZKEIJ-GOSISDBHSA-N 1 0 412.490 3.979 20 5 HHBDRO O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1c(Cl)cccc1Cl ZINC000440496119 983776336 /nfs/dbraw/zinc/77/63/36/983776336.db2.gz QWUQQTMQGFNSSU-GFCCVEGCSA-N 1 0 424.288 3.812 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000440550202 983792951 /nfs/dbraw/zinc/79/29/51/983792951.db2.gz ZSNYVRVYMVDLBY-CPBBTPEFSA-N 1 0 417.506 3.600 20 5 HHBDRO C[C@@H](O)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441242765 984134347 /nfs/dbraw/zinc/13/43/47/984134347.db2.gz VJLVEPILZYOHMC-HZPDHXFCSA-N 1 0 419.909 3.525 20 5 HHBDRO Cn1cc(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c(C(F)(F)F)n1 ZINC000441648837 984373449 /nfs/dbraw/zinc/37/34/49/984373449.db2.gz XFZJVGZWTLIXQX-UHFFFAOYSA-N 1 0 409.368 3.677 20 5 HHBDRO COCC[NH+]1CCC(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000441821039 984476524 /nfs/dbraw/zinc/47/65/24/984476524.db2.gz MCAMYRDHNKRBQR-UHFFFAOYSA-N 1 0 415.515 3.587 20 5 HHBDRO C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000461704964 984721474 /nfs/dbraw/zinc/72/14/74/984721474.db2.gz RPRYRUSPNOLPHY-GFCCVEGCSA-N 1 0 404.433 3.508 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000462412760 985387810 /nfs/dbraw/zinc/38/78/10/985387810.db2.gz HLTMOMAYWMNLTH-LJQANCHMSA-N 1 0 410.518 3.862 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000462818357 985745221 /nfs/dbraw/zinc/74/52/21/985745221.db2.gz JXQJMXHKHWHLOG-JKSUJKDBSA-N 1 0 400.454 3.567 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1OC ZINC000468164107 985840562 /nfs/dbraw/zinc/84/05/62/985840562.db2.gz KIKGXFAATZUQRU-QVKFZJNVSA-N 1 0 415.490 3.732 20 5 HHBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000462926185 985861308 /nfs/dbraw/zinc/86/13/08/985861308.db2.gz CZABSIBYGZYHOR-OAHLLOKOSA-N 1 0 406.433 3.819 20 5 HHBDRO CNc1c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cccc1[N+](=O)[O-] ZINC000462930484 985867957 /nfs/dbraw/zinc/86/79/57/985867957.db2.gz BYMWDAXHIDZGJR-UHFFFAOYSA-N 1 0 400.504 3.746 20 5 HHBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000463035864 985994520 /nfs/dbraw/zinc/99/45/20/985994520.db2.gz QBAPGSUYJNPDQC-KGLIPLIRSA-N 1 0 404.385 3.700 20 5 HHBDRO COC1CC[NH+](C2(CNC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CCCC2)CC1 ZINC000443962329 986170383 /nfs/dbraw/zinc/17/03/83/986170383.db2.gz RFHQTFQTOMBIBZ-UHFFFAOYSA-N 1 0 404.511 3.757 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000463212640 986184535 /nfs/dbraw/zinc/18/45/35/986184535.db2.gz MMUCWPRCQACVPL-NSGGIEJNSA-N 1 0 403.523 3.883 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000463271676 986238055 /nfs/dbraw/zinc/23/80/55/986238055.db2.gz HIXKGIAEKKQCSE-HTAPYJJXSA-N 1 0 408.502 3.789 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CN(C)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000463385708 986354041 /nfs/dbraw/zinc/35/40/41/986354041.db2.gz AUKMKNNWKVYVRA-SFHVURJKSA-N 1 0 410.518 3.579 20 5 HHBDRO CC1CC[NH+]([C@@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000463453242 986433984 /nfs/dbraw/zinc/43/39/84/986433984.db2.gz FZFPSVKKVYWYCH-IBGZPJMESA-N 1 0 416.547 3.682 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463456168 986436909 /nfs/dbraw/zinc/43/69/09/986436909.db2.gz YZKAAHQLRVKRJA-QHCPKHFHSA-N 1 0 411.502 3.549 20 5 HHBDRO COc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000444292060 986478698 /nfs/dbraw/zinc/47/86/98/986478698.db2.gz JWGJNAQTKFMYFR-QUCCMNQESA-N 1 0 409.486 3.730 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444320046 986501488 /nfs/dbraw/zinc/50/14/88/986501488.db2.gz STGJHBAHRBUKIQ-OSPHWJPCSA-N 1 0 411.505 3.932 20 5 HHBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463627698 986603337 /nfs/dbraw/zinc/60/33/37/986603337.db2.gz WMJVYJMLXWJYBJ-UHFFFAOYSA-N 1 0 414.531 3.527 20 5 HHBDRO CCOC(=O)c1csc(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000468980484 986686860 /nfs/dbraw/zinc/68/68/60/986686860.db2.gz PIQAQFACZAHANP-ZBFHGGJFSA-N 1 0 403.504 3.772 20 5 HHBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)cccc21 ZINC000469048858 986758860 /nfs/dbraw/zinc/75/88/60/986758860.db2.gz NDLFRPGCZNCEGX-AWEZNQCLSA-N 1 0 407.373 3.834 20 5 HHBDRO CC1(C)CC(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC(C)(C)[NH2+]1 ZINC000444597320 986784146 /nfs/dbraw/zinc/78/41/46/986784146.db2.gz OQEGPLZOPGSBSQ-UHFFFAOYSA-N 1 0 413.468 3.999 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444777189 986934396 /nfs/dbraw/zinc/93/43/96/986934396.db2.gz FBMMQXSRNWFEFY-UHFFFAOYSA-N 1 0 411.502 3.549 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000444924183 987071654 /nfs/dbraw/zinc/07/16/54/987071654.db2.gz MXHAXDQVZMTETL-UGSOOPFHSA-N 1 0 404.492 3.870 20 5 HHBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 ZINC000445178996 987261994 /nfs/dbraw/zinc/26/19/94/987261994.db2.gz KLMBDCHGNWYRCD-UHFFFAOYSA-N 1 0 401.466 3.874 20 5 HHBDRO COc1ccc(CNC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000470078013 987977007 /nfs/dbraw/zinc/97/70/07/987977007.db2.gz CXKHPFXHTLVNDY-IBGZPJMESA-N 1 0 414.506 3.559 20 5 HHBDRO CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000470149527 988057696 /nfs/dbraw/zinc/05/76/96/988057696.db2.gz ATPGCGZTZUZZOM-WOJBJXKFSA-N 1 0 421.517 3.535 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000470170297 988086339 /nfs/dbraw/zinc/08/63/39/988086339.db2.gz RVCHHQBMHGWCSX-MJLBXUHQSA-N 1 0 408.502 3.808 20 5 HHBDRO CC(C)[NH+]1CCN(CCCSc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000470447629 988425165 /nfs/dbraw/zinc/42/51/65/988425165.db2.gz CESZLWMWSWTSNB-UHFFFAOYSA-N 1 0 402.358 3.866 20 5 HHBDRO COc1cc(CN2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c([N+](=O)[O-])cc1F ZINC000464489262 988659937 /nfs/dbraw/zinc/65/99/37/988659937.db2.gz FLZJHAWYPXGKFP-ZDUSSCGKSA-N 1 0 415.343 3.810 20 5 HHBDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000464498764 988673338 /nfs/dbraw/zinc/67/33/38/988673338.db2.gz QOOGXJBIRZWWIZ-INIZCTEOSA-N 1 0 401.463 3.846 20 5 HHBDRO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464639786 988817374 /nfs/dbraw/zinc/81/73/74/988817374.db2.gz PTCQVLJYOICZDN-HXUWFJFHSA-N 1 0 423.513 3.877 20 5 HHBDRO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464639785 988817531 /nfs/dbraw/zinc/81/75/31/988817531.db2.gz PTCQVLJYOICZDN-FQEVSTJZSA-N 1 0 423.513 3.877 20 5 HHBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000464657928 988849740 /nfs/dbraw/zinc/84/97/40/988849740.db2.gz UDGJLNDTODYJMM-SFHVURJKSA-N 1 0 402.539 3.635 20 5 HHBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000464673579 988872205 /nfs/dbraw/zinc/87/22/05/988872205.db2.gz VOYAXPNOVPFEKJ-OTWHNJEPSA-N 1 0 416.566 3.881 20 5 HHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000464772278 988995851 /nfs/dbraw/zinc/99/58/51/988995851.db2.gz IVDGXWGBUXOMSH-WCQYABFASA-N 1 0 416.341 3.902 20 5 HHBDRO O=C(CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1cc(F)cc(F)c1 ZINC000464772013 988996116 /nfs/dbraw/zinc/99/61/16/988996116.db2.gz DZSNRKLHIHWDNA-UHFFFAOYSA-N 1 0 405.401 3.745 20 5 HHBDRO Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464775147 989001063 /nfs/dbraw/zinc/00/10/63/989001063.db2.gz LALBVBRDORKJTF-UHFFFAOYSA-N 1 0 401.438 3.914 20 5 HHBDRO CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464836071 989078089 /nfs/dbraw/zinc/07/80/89/989078089.db2.gz JJFXTHFWNLGEFW-GOSISDBHSA-N 1 0 407.474 3.599 20 5 HHBDRO C[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000464836558 989079394 /nfs/dbraw/zinc/07/93/94/989079394.db2.gz KMKJEHGJPOJCPM-KRWDZBQOSA-N 1 0 407.474 3.741 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471131288 989240117 /nfs/dbraw/zinc/24/01/17/989240117.db2.gz PBFTZHRMVHIQKC-IYBDPMFKSA-N 1 0 400.866 3.844 20 5 HHBDRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000471163061 989282509 /nfs/dbraw/zinc/28/25/09/989282509.db2.gz YBGREPYGGCSDIX-IBGZPJMESA-N 1 0 407.470 3.914 20 5 HHBDRO COc1ccc(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000471239136 989384930 /nfs/dbraw/zinc/38/49/30/989384930.db2.gz ZRNXCYJOHHILMT-UHFFFAOYSA-N 1 0 412.490 3.634 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000471275635 989426636 /nfs/dbraw/zinc/42/66/36/989426636.db2.gz FGVCVIJTHRHAJE-QGZVFWFLSA-N 1 0 422.510 3.970 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000471279527 989432398 /nfs/dbraw/zinc/43/23/98/989432398.db2.gz MMSUOXJFINIWFH-OAHLLOKOSA-N 1 0 418.291 3.609 20 5 HHBDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000471289690 989447196 /nfs/dbraw/zinc/44/71/96/989447196.db2.gz XKOVVMSASMSUTO-UHFFFAOYSA-N 1 0 417.893 3.670 20 5 HHBDRO C[C@H]1CCC[C@](CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)([NH+](C)C)C1 ZINC000465713573 990099043 /nfs/dbraw/zinc/09/90/43/990099043.db2.gz DAXKBUAZKAJOAW-JTSKRJEESA-N 1 0 418.538 3.658 20 5 HHBDRO Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1NC(=O)CC[NH+](C)C ZINC000466236229 991463914 /nfs/dbraw/zinc/46/39/14/991463914.db2.gz PIWDOTYOJSVJRV-UHFFFAOYSA-N 1 0 418.881 3.628 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000466564896 991879424 /nfs/dbraw/zinc/87/94/24/991879424.db2.gz SNSBVYGNRUJPLD-IBGZPJMESA-N 1 0 402.882 3.885 20 5 HHBDRO C[NH+](C)CCc1ccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000467042452 992351597 /nfs/dbraw/zinc/35/15/97/992351597.db2.gz AVRSSFMVVKSSQV-UHFFFAOYSA-N 1 0 410.499 3.752 20 5 HHBDRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467213899 992538075 /nfs/dbraw/zinc/53/80/75/992538075.db2.gz ONUWXWSPKKOLEG-UHFFFAOYSA-N 1 0 415.465 3.535 20 5 HHBDRO COCC[C@H]1CCCC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000467278699 992599794 /nfs/dbraw/zinc/59/97/94/992599794.db2.gz OJJHVFIAXHFTBA-OAHLLOKOSA-N 1 0 418.519 3.795 20 5 HHBDRO CCOc1cc(NC(=O)N(CC[NH+](C)C)C2CCCC2)c([N+](=O)[O-])cc1OCC ZINC000467446888 992742294 /nfs/dbraw/zinc/74/22/94/992742294.db2.gz GGHQYQNMKHEHFJ-UHFFFAOYSA-N 1 0 408.499 3.730 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000467687990 992944101 /nfs/dbraw/zinc/94/41/01/992944101.db2.gz KEAIPDJNDWIVRO-BBRMVZONSA-N 1 0 418.291 3.750 20 5 HHBDRO CCc1ccc(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1[N+](=O)[O-] ZINC000472162085 993211585 /nfs/dbraw/zinc/21/15/85/993211585.db2.gz UWGSGGLXUVLNBJ-QGZVFWFLSA-N 1 0 411.502 3.787 20 5 HHBDRO CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472460215 993462499 /nfs/dbraw/zinc/46/24/99/993462499.db2.gz SOCXZXUIIFCEBV-HXUWFJFHSA-N 1 0 407.474 3.741 20 5 HHBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000480735221 993600535 /nfs/dbraw/zinc/60/05/35/993600535.db2.gz RPFWUBNEHHDGHD-HKUYNNGSSA-N 1 0 415.515 3.517 20 5 HHBDRO Cc1ccc([C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)N2CCOCC2)cc1 ZINC000480907411 993764235 /nfs/dbraw/zinc/76/42/35/993764235.db2.gz DEVROURKUOLKES-LADGPHEKSA-N 1 0 409.530 3.887 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000480987131 993828961 /nfs/dbraw/zinc/82/89/61/993828961.db2.gz GJOXDVRPXRTFFG-APWZRJJASA-N 1 0 417.531 3.543 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000481186790 994018701 /nfs/dbraw/zinc/01/87/01/994018701.db2.gz YFVPWCRTIOLKTB-QRFRQXIXSA-N 1 0 410.518 3.730 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000481190330 994021935 /nfs/dbraw/zinc/02/19/35/994021935.db2.gz LHXDKNNURVNBRS-OXQOHEQNSA-N 1 0 407.474 3.645 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000481200392 994034405 /nfs/dbraw/zinc/03/44/05/994034405.db2.gz QKYZAZUGQAEHTA-UZLBHIALSA-N 1 0 407.474 3.645 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)C1CC1 ZINC000481213994 994047347 /nfs/dbraw/zinc/04/73/47/994047347.db2.gz MPFQGCGVJUNPLK-FYYLOGMGSA-N 1 0 413.493 3.718 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000473313325 994174260 /nfs/dbraw/zinc/17/42/60/994174260.db2.gz WXSHCZWDUNEUQD-LJQANCHMSA-N 1 0 411.505 3.933 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000473503883 994352598 /nfs/dbraw/zinc/35/25/98/994352598.db2.gz FKQQZCGJRBDAPZ-QHCPKHFHSA-N 1 0 409.486 3.732 20 5 HHBDRO Cc1cc(N2CCC(OCCC[NH+](C)C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000473506495 994356877 /nfs/dbraw/zinc/35/68/77/994356877.db2.gz IRXKSXCXVRYEJT-UHFFFAOYSA-N 1 0 400.317 3.603 20 5 HHBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000473523509 994379845 /nfs/dbraw/zinc/37/98/45/994379845.db2.gz NDPFVJUETPVZAB-UHFFFAOYSA-N 1 0 424.423 3.540 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000473543242 994404285 /nfs/dbraw/zinc/40/42/85/994404285.db2.gz BLNZYWJSJZAMAH-AWEZNQCLSA-N 1 0 409.914 3.929 20 5 HHBDRO NC(=O)c1ccc(C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000481737357 994593833 /nfs/dbraw/zinc/59/38/33/994593833.db2.gz DCXRPROSFZBDKV-QGZVFWFLSA-N 1 0 422.254 3.836 20 5 HHBDRO CCOC(=O)c1ccnc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000481994913 994896172 /nfs/dbraw/zinc/89/61/72/994896172.db2.gz UWDSTPSSZAAHLO-QUCCMNQESA-N 1 0 424.501 3.657 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000473941047 994915470 /nfs/dbraw/zinc/91/54/70/994915470.db2.gz BFMVMVHPHLZRJD-ROUUACIJSA-N 1 0 410.518 3.593 20 5 HHBDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC[N@@H+]2C2CC2)c1 ZINC000482017344 994926403 /nfs/dbraw/zinc/92/64/03/994926403.db2.gz VKHHMHRVQNVEBA-RBBKRZOGSA-N 1 0 420.469 3.793 20 5 HHBDRO Cc1cc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482031321 994948018 /nfs/dbraw/zinc/94/80/18/994948018.db2.gz MNCAPLPDQGIVHL-UHFFFAOYSA-N 1 0 414.510 3.532 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)cc1[N+](=O)[O-] ZINC000473987982 994974725 /nfs/dbraw/zinc/97/47/25/994974725.db2.gz QOJBPUQBSYCMRO-UHFFFAOYSA-N 1 0 420.412 3.984 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2C)cc1[N+](=O)[O-] ZINC000473995739 994984700 /nfs/dbraw/zinc/98/47/00/994984700.db2.gz MQXCOWKNUVAREJ-UHFFFAOYSA-N 1 0 412.364 3.764 20 5 HHBDRO COc1cccc([C@@H]2[C@@H](NC(=O)CCc3cccc([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000482068646 995002347 /nfs/dbraw/zinc/00/23/47/995002347.db2.gz AFZQLAYTCGFIKW-JTHBVZDNSA-N 1 0 409.486 3.630 20 5 HHBDRO COc1cccc([C@@H]2[C@H](NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC[N@@H+]2C2CC2)c1 ZINC000482077524 995014310 /nfs/dbraw/zinc/01/43/10/995014310.db2.gz FRNUHDCIYMGVKN-DENIHFKCSA-N 1 0 420.469 3.793 20 5 HHBDRO COc1cccc([C@H]2[C@@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000482099758 995045156 /nfs/dbraw/zinc/04/51/56/995045156.db2.gz HMINOACFTRHYCJ-PMACEKPBSA-N 1 0 415.877 3.965 20 5 HHBDRO COc1cccc([C@H]2[C@H](NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)CC[N@@H+]2C2CC2)c1 ZINC000482102899 995048675 /nfs/dbraw/zinc/04/86/75/995048675.db2.gz MCJMYDXLKJHNJJ-YADHBBJMSA-N 1 0 420.469 3.793 20 5 HHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482312895 995291312 /nfs/dbraw/zinc/29/13/12/995291312.db2.gz SIEVMLDLLCEIJJ-GMAHTHKFSA-N 1 0 422.529 3.833 20 5 HHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482312894 995291593 /nfs/dbraw/zinc/29/15/93/995291593.db2.gz SIEVMLDLLCEIJJ-GGAORHGYSA-N 1 0 422.529 3.833 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1[N+](=O)[O-])c1ccccn1 ZINC000482335220 995315043 /nfs/dbraw/zinc/31/50/43/995315043.db2.gz PQTPETUDMIARIK-OAHLLOKOSA-N 1 0 420.473 3.872 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000474510563 995471481 /nfs/dbraw/zinc/47/14/81/995471481.db2.gz KBBLREBQBWEVPY-QZTJIDSGSA-N 1 0 410.518 3.893 20 5 HHBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1Oc1ccccc1 ZINC000482492173 995502503 /nfs/dbraw/zinc/50/25/03/995502503.db2.gz SROFCVJHKNATFO-QZNHQXDQSA-N 1 0 422.485 3.710 20 5 HHBDRO COC(=O)c1cc(NCC2([NH+]3CCC(OC)CC3)CCCC2)cc(C)c1[N+](=O)[O-] ZINC000474782506 995708370 /nfs/dbraw/zinc/70/83/70/995708370.db2.gz YKPLDSBKBXYZCH-UHFFFAOYSA-N 1 0 405.495 3.525 20 5 HHBDRO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475105877 995925510 /nfs/dbraw/zinc/92/55/10/995925510.db2.gz FGDABCXURFOXRP-QHCPKHFHSA-N 1 0 408.502 3.793 20 5 HHBDRO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000483141171 995999412 /nfs/dbraw/zinc/99/94/12/995999412.db2.gz GHUOJLAKFSVDKR-KRWDZBQOSA-N 1 0 401.507 3.619 20 5 HHBDRO CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475311749 996062010 /nfs/dbraw/zinc/06/20/10/996062010.db2.gz KPORWDZXQFKWAS-INIZCTEOSA-N 1 0 418.291 3.704 20 5 HHBDRO CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475322727 996070306 /nfs/dbraw/zinc/07/03/06/996070306.db2.gz RRCLPWGVEXNOBO-MRXNPFEDSA-N 1 0 407.392 3.960 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+]CC3(S(C)(=O)=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000475424382 996129797 /nfs/dbraw/zinc/12/97/97/996129797.db2.gz OEKSLLRFEHYRIY-UHFFFAOYSA-N 1 0 406.529 3.721 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483407990 996158691 /nfs/dbraw/zinc/15/86/91/996158691.db2.gz OPFJUGGKUSADJD-NRFANRHFSA-N 1 0 401.438 3.735 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000475513016 996193112 /nfs/dbraw/zinc/19/31/12/996193112.db2.gz PXZFQPLCYXJZEL-UHFFFAOYSA-N 1 0 416.481 3.995 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000475637608 996267914 /nfs/dbraw/zinc/26/79/14/996267914.db2.gz YULXNGSASDMFRD-UHFFFAOYSA-N 1 0 400.479 3.516 20 5 HHBDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)CCC2 ZINC000475714208 996317274 /nfs/dbraw/zinc/31/72/74/996317274.db2.gz HADNDIGKSHBLSR-OAHLLOKOSA-N 1 0 419.503 3.675 20 5 HHBDRO COc1c(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000475763638 996355672 /nfs/dbraw/zinc/35/56/72/996355672.db2.gz ZRLLSBQZWPDPGT-UHFFFAOYSA-N 1 0 417.893 3.899 20 5 HHBDRO C[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000483834123 996416463 /nfs/dbraw/zinc/41/64/63/996416463.db2.gz ZLQHAGTUMXZYSK-MRXNPFEDSA-N 1 0 406.552 3.707 20 5 HHBDRO O=C1CCc2cc([N+](=O)[O-])c(NCC3([NH+]4CCSCC4)CCCCC3)cc2N1 ZINC000484547722 996880807 /nfs/dbraw/zinc/88/08/07/996880807.db2.gz YPAVYDPNNKQYCN-UHFFFAOYSA-N 1 0 404.536 3.643 20 5 HHBDRO CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000484631472 996965836 /nfs/dbraw/zinc/96/58/36/996965836.db2.gz INMIUAOXEGGIHY-NHCUHLMSSA-N 1 0 415.490 3.525 20 5 HHBDRO CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000484631471 996965938 /nfs/dbraw/zinc/96/59/38/996965938.db2.gz INMIUAOXEGGIHY-LEWJYISDSA-N 1 0 415.490 3.525 20 5 HHBDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000484726228 997066501 /nfs/dbraw/zinc/06/65/01/997066501.db2.gz IIVNXNAWASWVQD-LJQANCHMSA-N 1 0 410.854 3.691 20 5 HHBDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000484726227 997067067 /nfs/dbraw/zinc/06/70/67/997067067.db2.gz IIVNXNAWASWVQD-IBGZPJMESA-N 1 0 410.854 3.691 20 5 HHBDRO O=[N+]([O-])c1c(NCCCOC2CC[NH+](Cc3ccccc3)CC2)nc2sccn21 ZINC000484827693 997192255 /nfs/dbraw/zinc/19/22/55/997192255.db2.gz HHCRYJQXZAUJEF-UHFFFAOYSA-N 1 0 415.519 3.787 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000484936017 997312679 /nfs/dbraw/zinc/31/26/79/997312679.db2.gz HUAPQTPOCCCGDE-RTBURBONSA-N 1 0 413.905 3.771 20 5 HHBDRO CCOc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000484940848 997316550 /nfs/dbraw/zinc/31/65/50/997316550.db2.gz SICFRSYQEOTSGZ-UXHICEINSA-N 1 0 409.486 3.588 20 5 HHBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccccc1 ZINC000484983505 997346601 /nfs/dbraw/zinc/34/66/01/997346601.db2.gz JJTIEEVTJQTCQN-INIZCTEOSA-N 1 0 407.474 3.640 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(=Cc3cc(Cl)ccc3Cl)CC2)c1 ZINC000476994096 997621569 /nfs/dbraw/zinc/62/15/69/997621569.db2.gz UBVYTTCFTCBXNC-QGZVFWFLSA-N 1 0 411.289 3.638 20 5 HHBDRO C[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000485309829 997719779 /nfs/dbraw/zinc/71/97/79/997719779.db2.gz ANEMUNJUAMJZIG-QGZVFWFLSA-N 1 0 408.502 3.716 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000477074799 997725605 /nfs/dbraw/zinc/72/56/05/997725605.db2.gz LPQLFQNECUZKDH-JMGYQRAPSA-N 1 0 403.504 3.662 20 5 HHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485336606 997753131 /nfs/dbraw/zinc/75/31/31/997753131.db2.gz HOZHNOGMJUEMLE-CBQOVEMMSA-N 1 0 422.529 3.908 20 5 HHBDRO CN(C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000485342170 997760780 /nfs/dbraw/zinc/76/07/80/997760780.db2.gz CFXCWZNNVSKEBH-NZQKXSOJSA-N 1 0 422.529 3.544 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000477116636 997771815 /nfs/dbraw/zinc/77/18/15/997771815.db2.gz DIQCWKAGLGVHTO-KRWDZBQOSA-N 1 0 409.552 3.568 20 5 HHBDRO Cn1c(Sc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000485398190 997827444 /nfs/dbraw/zinc/82/74/44/997827444.db2.gz HTAOYNMABAQZMK-CYBMUJFWSA-N 1 0 414.466 3.543 20 5 HHBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000485399902 997830828 /nfs/dbraw/zinc/83/08/28/997830828.db2.gz CYFISEOMBJSBKW-ZWKOTPCHSA-N 1 0 402.495 3.812 20 5 HHBDRO CCOc1ccccc1NC(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000485440686 997881993 /nfs/dbraw/zinc/88/19/93/997881993.db2.gz PZFODBNMMZQYEK-UHFFFAOYSA-N 1 0 413.474 3.866 20 5 HHBDRO CSc1cccc(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000485512333 997968454 /nfs/dbraw/zinc/96/84/54/997968454.db2.gz BUMRFTIZSTZAPJ-CQSZACIVSA-N 1 0 400.504 3.667 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000485549910 998004492 /nfs/dbraw/zinc/00/44/92/998004492.db2.gz LWDCVLPUHZYFGK-CYBMUJFWSA-N 1 0 420.416 3.547 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000477330908 998018754 /nfs/dbraw/zinc/01/87/54/998018754.db2.gz NLOKXPJCZGJLME-IBGZPJMESA-N 1 0 405.857 3.883 20 5 HHBDRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000485719728 998189200 /nfs/dbraw/zinc/18/92/00/998189200.db2.gz PGUGGULTCXKTTH-JZLODUJNSA-N 1 0 415.515 3.841 20 5 HHBDRO O=C(C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000477511359 998231300 /nfs/dbraw/zinc/23/13/00/998231300.db2.gz VUQSOMIIWVLSTP-UHFFFAOYSA-N 1 0 405.376 3.782 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000477725471 998455212 /nfs/dbraw/zinc/45/52/12/998455212.db2.gz ZWLLOVSFINIQCX-UHFFFAOYSA-N 1 0 417.893 3.634 20 5 HHBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000486202267 998641943 /nfs/dbraw/zinc/64/19/43/998641943.db2.gz GNUOXTMKXXLKBL-UHFFFAOYSA-N 1 0 416.341 3.946 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000477923183 998659960 /nfs/dbraw/zinc/65/99/60/998659960.db2.gz UIOKKOBNPWHFCK-KSSFIOAISA-N 1 0 401.438 3.584 20 5 HHBDRO CSc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000486242850 998670824 /nfs/dbraw/zinc/67/08/24/998670824.db2.gz OXKUTZBRMQSJFP-UHFFFAOYSA-N 1 0 409.458 3.799 20 5 HHBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000477973741 998692192 /nfs/dbraw/zinc/69/21/92/998692192.db2.gz YYOJJNXGVQUUHQ-UHFFFAOYSA-N 1 0 409.486 3.921 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000486300801 998702430 /nfs/dbraw/zinc/70/24/30/998702430.db2.gz VAALPIALYZLJJM-DNVCBOLYSA-N 1 0 416.909 3.925 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000478053703 998738474 /nfs/dbraw/zinc/73/84/74/998738474.db2.gz MUSOTOCRXMMJRR-GOSISDBHSA-N 1 0 402.539 3.534 20 5 HHBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])C2)CC1 ZINC000486444543 998771989 /nfs/dbraw/zinc/77/19/89/998771989.db2.gz XCDQELWILSQNOV-HXUWFJFHSA-N 1 0 423.513 3.978 20 5 HHBDRO CSc1cccc(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000486687581 998892941 /nfs/dbraw/zinc/89/29/41/998892941.db2.gz KLBMEUNUVUABIW-HOTGVXAUSA-N 1 0 421.563 3.668 20 5 HHBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000478417666 998947276 /nfs/dbraw/zinc/94/72/76/998947276.db2.gz NAVRHNJNRVWWES-UHFFFAOYSA-N 1 0 402.458 3.776 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000478978702 999232424 /nfs/dbraw/zinc/23/24/24/999232424.db2.gz DBZOQZUGJDKTAU-SFHVURJKSA-N 1 0 403.504 3.748 20 5 HHBDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000487704617 999259649 /nfs/dbraw/zinc/25/96/49/999259649.db2.gz QAXGQDCPFVSESK-UHFFFAOYSA-N 1 0 423.391 3.730 20 5 HHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000487713652 999262229 /nfs/dbraw/zinc/26/22/29/999262229.db2.gz CNPJEBGWWBGTMU-DZGCQCFKSA-N 1 0 405.401 3.762 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1OC ZINC000487810933 999298016 /nfs/dbraw/zinc/29/80/16/999298016.db2.gz TWALJBHWFRFPQO-QGZVFWFLSA-N 1 0 419.522 3.730 20 5 HHBDRO Cc1cc(NCc2ccc(OCCC[NH+](C)C)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000487941201 999322834 /nfs/dbraw/zinc/32/28/34/999322834.db2.gz DZCUMLKUYJXTHY-UHFFFAOYSA-N 1 0 421.501 3.725 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000479199943 999323104 /nfs/dbraw/zinc/32/31/04/999323104.db2.gz YPTCNNPNZCILPD-HNNXBMFYSA-N 1 0 407.474 3.776 20 5 HHBDRO Cc1ccc([C@H](C)NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cc1[N+](=O)[O-] ZINC000488065783 999364865 /nfs/dbraw/zinc/36/48/65/999364865.db2.gz NTJVQSGUVWERMF-SFHVURJKSA-N 1 0 410.518 3.925 20 5 HHBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCSC1 ZINC000488146336 999392483 /nfs/dbraw/zinc/39/24/83/999392483.db2.gz VDMLHDMMLQEVTB-HXUWFJFHSA-N 1 0 417.556 3.913 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000488507096 999511553 /nfs/dbraw/zinc/51/15/53/999511553.db2.gz VWGTUZBLHVBGTP-AVRDEDQJSA-N 1 0 410.518 3.814 20 5 HHBDRO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cccc2ccccc21 ZINC000488783029 999606394 /nfs/dbraw/zinc/60/63/94/999606394.db2.gz MPYJAXRRHYFTQU-SJORKVTESA-N 1 0 421.501 3.847 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000479922515 999649923 /nfs/dbraw/zinc/64/99/23/999649923.db2.gz WNAXNVMZYGABJA-OAHLLOKOSA-N 1 0 400.454 3.841 20 5 HHBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000479962908 999665521 /nfs/dbraw/zinc/66/55/21/999665521.db2.gz TXXSQVCCSNOOFR-MRXNPFEDSA-N 1 0 413.474 3.810 20 5 HHBDRO COC1CC[NH+](C2(CNC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CCCC2)CC1 ZINC000489159246 999713847 /nfs/dbraw/zinc/71/38/47/999713847.db2.gz JFWNCQMUTCIFJR-QGZVFWFLSA-N 1 0 418.538 3.687 20 5 HHBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000489166267 999714921 /nfs/dbraw/zinc/71/49/21/999714921.db2.gz IGGTUURJRHMGAQ-UYAOXDASSA-N 1 0 410.518 3.828 20 5 HHBDRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000489310727 999743183 /nfs/dbraw/zinc/74/31/83/999743183.db2.gz CMFWIDDKKLTCID-UHFFFAOYSA-N 1 0 409.446 3.588 20 5 HHBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489841968 999847716 /nfs/dbraw/zinc/84/77/16/999847716.db2.gz MOTOJEMGHMTWSS-UHFFFAOYSA-N 1 0 408.502 3.717 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NC3CC[NH+](C(C)(C)C)CC3)cc2[N+](=O)[O-])CC1 ZINC000489846619 999848715 /nfs/dbraw/zinc/84/87/15/999848715.db2.gz UZSGHOGHVDLRLM-UHFFFAOYSA-N 1 0 402.539 3.824 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000489967136 999870291 /nfs/dbraw/zinc/87/02/91/999870291.db2.gz ROGSHILQMUNLMY-MRXNPFEDSA-N 1 0 416.453 3.776 20 5 HHBDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000490073822 999889226 /nfs/dbraw/zinc/88/92/26/999889226.db2.gz GSCCJUQIWLFSOQ-GOSISDBHSA-N 1 0 421.881 3.905 20 5 HHBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000490086353 999890823 /nfs/dbraw/zinc/89/08/23/999890823.db2.gz IBQMFKFTIIZYPL-FQEVSTJZSA-N 1 0 407.474 3.956 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000490132915 999898068 /nfs/dbraw/zinc/89/80/68/999898068.db2.gz MVBGKRMSEXMOHD-HXUWFJFHSA-N 1 0 407.474 3.956 20 5 HHBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000490360576 999944423 /nfs/dbraw/zinc/94/44/23/999944423.db2.gz DADXFYWDFPSBQQ-LJQANCHMSA-N 1 0 410.518 3.915 20 5 HHBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 ZINC000490826767 1000012710 /nfs/dbraw/zinc/01/27/10/1000012710.db2.gz ZXIOCTXQIYSNNX-UHFFFAOYSA-N 1 0 405.458 3.916 20 5 HHBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490843030 1000014973 /nfs/dbraw/zinc/01/49/73/1000014973.db2.gz NWLMLPIHSIRXPL-YJBOKZPZSA-N 1 0 401.894 3.818 20 5 HHBDRO C[NH+](C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CCSC1 ZINC000490903373 1000021569 /nfs/dbraw/zinc/02/15/69/1000021569.db2.gz QDZAWPRZEUHRGH-FQEVSTJZSA-N 1 0 417.556 3.913 20 5 HHBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000490980435 1000030181 /nfs/dbraw/zinc/03/01/81/1000030181.db2.gz JHVZFDSSNYADAH-UHFFFAOYSA-N 1 0 414.531 3.850 20 5 HHBDRO COc1cc(CN2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491111919 1000046642 /nfs/dbraw/zinc/04/66/42/1000046642.db2.gz HVAYLQPTFXBMEI-UHFFFAOYSA-N 1 0 413.465 3.698 20 5 HHBDRO Cc1ccc([C@H](C)NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000493107439 1000158060 /nfs/dbraw/zinc/15/80/60/1000158060.db2.gz RRPFYBDTZJUZPO-INIZCTEOSA-N 1 0 400.479 3.863 20 5 HHBDRO Cc1cc(C)c(S(=O)(=O)N(c2ccccc2)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000493180533 1000161979 /nfs/dbraw/zinc/16/19/79/1000161979.db2.gz LIAKEVULHGIYSO-UHFFFAOYSA-N 1 0 403.504 3.501 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493738596 1000189552 /nfs/dbraw/zinc/18/95/52/1000189552.db2.gz VQQATNAWDWBEAJ-AWEZNQCLSA-N 1 0 400.422 3.829 20 5 HHBDRO CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000493938371 1000226007 /nfs/dbraw/zinc/22/60/07/1000226007.db2.gz YECZNZCNKQWSGU-UHFFFAOYSA-N 1 0 416.566 3.924 20 5 HHBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000493973426 1000246548 /nfs/dbraw/zinc/24/65/48/1000246548.db2.gz RHEHVXSAPXETCH-QGZVFWFLSA-N 1 0 408.483 3.723 20 5 HHBDRO Cc1cc(C)c(S(=O)(=O)N(c2cccc(F)c2)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000493983472 1000251658 /nfs/dbraw/zinc/25/16/58/1000251658.db2.gz DQQBADLYUZRYSG-UHFFFAOYSA-N 1 0 421.494 3.640 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000493999689 1000260639 /nfs/dbraw/zinc/26/06/39/1000260639.db2.gz LHWLHGYUTAUBCB-AZUAARDMSA-N 1 0 405.401 3.630 20 5 HHBDRO C[C@H]1[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000494013671 1000267211 /nfs/dbraw/zinc/26/72/11/1000267211.db2.gz AEJAWTNBXUQOPX-PXNSSMCTSA-N 1 0 408.502 3.588 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2ccc(C)o2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504921900 1000449692 /nfs/dbraw/zinc/44/96/92/1000449692.db2.gz VYZKVQOTZRYGDR-LPHOPBHVSA-N 1 0 403.479 3.619 20 5 HHBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494415431 1000481381 /nfs/dbraw/zinc/48/13/81/1000481381.db2.gz YNBQSRMNMFMSPH-CHWSQXEVSA-N 1 0 402.417 3.533 20 5 HHBDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000494455973 1000501610 /nfs/dbraw/zinc/50/16/10/1000501610.db2.gz PAEIWTSJPQIIHG-UHFFFAOYSA-N 1 0 403.504 3.583 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494474347 1000511603 /nfs/dbraw/zinc/51/16/03/1000511603.db2.gz MHLPEOFOBPOFFS-HKUYNNGSSA-N 1 0 407.829 3.754 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494478586 1000514236 /nfs/dbraw/zinc/51/42/36/1000514236.db2.gz SWVMYFSREOWUDH-DNVCBOLYSA-N 1 0 407.829 3.754 20 5 HHBDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000505042067 1000521765 /nfs/dbraw/zinc/52/17/65/1000521765.db2.gz PZSPLPFPNITMAJ-LJQANCHMSA-N 1 0 411.458 3.780 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494497286 1000524799 /nfs/dbraw/zinc/52/47/99/1000524799.db2.gz WLNMQYMNRKDPQB-LPHOPBHVSA-N 1 0 417.849 3.666 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000494499745 1000526005 /nfs/dbraw/zinc/52/60/05/1000526005.db2.gz AVUDBIZZOAPHKP-OYYNGEPBSA-N 1 0 419.865 3.704 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccsc1 ZINC000494699967 1000610555 /nfs/dbraw/zinc/61/05/55/1000610555.db2.gz UHAYUDTYJAOVDU-OAHLLOKOSA-N 1 0 416.425 3.777 20 5 HHBDRO COc1cc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000495089690 1000830313 /nfs/dbraw/zinc/83/03/13/1000830313.db2.gz ODZIPTCUNXJRKG-GHTZIAJQSA-N 1 0 411.502 3.708 20 5 HHBDRO COc1cc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000495105348 1000844039 /nfs/dbraw/zinc/84/40/39/1000844039.db2.gz BNDKHKHHJOBKHF-CTNGQTDRSA-N 1 0 411.502 3.708 20 5 HHBDRO C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000505582558 1000919945 /nfs/dbraw/zinc/91/99/45/1000919945.db2.gz VMEYNRZFMVZGAE-PXAZEXFGSA-N 1 0 406.280 3.779 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000505637105 1000948007 /nfs/dbraw/zinc/94/80/07/1000948007.db2.gz QUCWQAKKCGSVCG-NJSLBKSFSA-N 1 0 405.882 3.823 20 5 HHBDRO Cc1cc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000505755206 1001008411 /nfs/dbraw/zinc/00/84/11/1001008411.db2.gz QTIQEILGSCVUFY-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 ZINC000495474504 1001024922 /nfs/dbraw/zinc/02/49/22/1001024922.db2.gz OPBJKOGGTWLMHG-OAHLLOKOSA-N 1 0 416.909 3.884 20 5 HHBDRO CNC(=O)C1CC[NH+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000506282324 1001326920 /nfs/dbraw/zinc/32/69/20/1001326920.db2.gz VTEHYXHQEGWFTA-UHFFFAOYSA-N 1 0 403.866 3.999 20 5 HHBDRO COc1ccc(-c2ccc(C[N@H+](CCC(N)=O)Cc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000506307074 1001342931 /nfs/dbraw/zinc/34/29/31/1001342931.db2.gz DVYXARCWEPDEJA-UHFFFAOYSA-N 1 0 409.442 3.741 20 5 HHBDRO C[N@@H+]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](c2ccccc2)C1 ZINC000497416857 1001351301 /nfs/dbraw/zinc/35/13/01/1001351301.db2.gz LJUXYCVXBGHNTR-MSOLQXFVSA-N 1 0 408.483 3.546 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3C[N@H+](C)C[C@@H]3c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000497433536 1001362582 /nfs/dbraw/zinc/36/25/82/1001362582.db2.gz YAYAYACRIXNBPW-NHCUHLMSSA-N 1 0 422.529 3.659 20 5 HHBDRO CS(=O)(=O)c1cccc(NCc2ccc(C[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000497520882 1001417215 /nfs/dbraw/zinc/41/72/15/1001417215.db2.gz JALZVBLMNJSVGW-UHFFFAOYSA-N 1 0 403.504 3.596 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000506452278 1001419462 /nfs/dbraw/zinc/41/94/62/1001419462.db2.gz QYHDITHDPAIXEB-RHSMWYFYSA-N 1 0 421.881 3.870 20 5 HHBDRO C[C@H]1C[C@H](CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000497539238 1001426209 /nfs/dbraw/zinc/42/62/09/1001426209.db2.gz BGPQMYGYROAFSD-WMZOPIPTSA-N 1 0 417.531 3.711 20 5 HHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000497629713 1001464596 /nfs/dbraw/zinc/46/45/96/1001464596.db2.gz XNEZPPSTRCNNQA-HNNXBMFYSA-N 1 0 415.515 3.671 20 5 HHBDRO CCCNC(=O)C1CC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000506673816 1001489978 /nfs/dbraw/zinc/48/99/78/1001489978.db2.gz IMQHPVOVLIBKTO-UHFFFAOYSA-N 1 0 401.463 3.602 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cccc(OC)c1 ZINC000497895710 1001554744 /nfs/dbraw/zinc/55/47/44/1001554744.db2.gz NCJQSYHKKAQDBX-NRFANRHFSA-N 1 0 422.485 3.965 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000497981942 1001589708 /nfs/dbraw/zinc/58/97/08/1001589708.db2.gz HBMCDHXWQVSCTG-PXNSSMCTSA-N 1 0 417.531 3.749 20 5 HHBDRO COc1cccc([C@@H]2[C@H](NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000498292098 1001761055 /nfs/dbraw/zinc/76/10/55/1001761055.db2.gz UTDATRZWKUCFCU-IFMALSPDSA-N 1 0 423.513 3.975 20 5 HHBDRO O=C1CCc2cc([N+](=O)[O-])c(Nc3cccc(N4CC[NH+](CC5CC5)CC4)c3)cc2N1 ZINC000507030312 1001772604 /nfs/dbraw/zinc/77/26/04/1001772604.db2.gz QSSGDQNWHYRQEK-UHFFFAOYSA-N 1 0 421.501 3.755 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507212229 1001900467 /nfs/dbraw/zinc/90/04/67/1001900467.db2.gz QULSNHMVHHFRBW-FQEVSTJZSA-N 1 0 423.513 3.562 20 5 HHBDRO CC(C)(C)c1ccc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000507680706 1002274710 /nfs/dbraw/zinc/27/47/10/1002274710.db2.gz XFYNOKWPAPMJSS-UHFFFAOYSA-N 1 0 417.550 3.857 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)o2)c1 ZINC000498915528 1002310466 /nfs/dbraw/zinc/31/04/66/1002310466.db2.gz FKKQOGMWVNZTAA-MRXNPFEDSA-N 1 0 408.462 3.667 20 5 HHBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000499422621 1002806170 /nfs/dbraw/zinc/80/61/70/1002806170.db2.gz NTLXTPDGFKQJFV-UHFFFAOYSA-N 1 0 422.407 3.997 20 5 HHBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000508341769 1002844155 /nfs/dbraw/zinc/84/41/55/1002844155.db2.gz WHGNSXNIGJOOIQ-SQNIBIBYSA-N 1 0 402.539 3.681 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCCCC4CCOCC4)CC3)nc2c1 ZINC000499624787 1002992951 /nfs/dbraw/zinc/99/29/51/1002992951.db2.gz IWLHGBDZUOWLDT-UHFFFAOYSA-N 1 0 401.511 3.580 20 5 HHBDRO CC[N@H+](CCC1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1)CC1CC1 ZINC000508608882 1003063026 /nfs/dbraw/zinc/06/30/26/1003063026.db2.gz JDMXPUKNGRSPCN-UHFFFAOYSA-N 1 0 412.538 3.729 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-])c1ccccn1 ZINC000508858232 1003278138 /nfs/dbraw/zinc/27/81/38/1003278138.db2.gz VOZAXDJJRJSUDY-YSSFQJQWSA-N 1 0 409.490 3.520 20 5 HHBDRO CCC[NH+]1CCC(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000500171210 1003522465 /nfs/dbraw/zinc/52/24/65/1003522465.db2.gz YQDQPCCONYPAFY-IAGOWNOFSA-N 1 0 402.539 3.681 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500175134 1003525809 /nfs/dbraw/zinc/52/58/09/1003525809.db2.gz ZDTZDYCLWYCTTF-KRWDZBQOSA-N 1 0 408.857 3.949 20 5 HHBDRO CCC[NH+]1CCC(CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000500233917 1003571248 /nfs/dbraw/zinc/57/12/48/1003571248.db2.gz ISXGENTWBWWPCE-HDICACEKSA-N 1 0 416.566 3.929 20 5 HHBDRO C[C@H]([NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOCC1)c1ccccc1 ZINC000500462956 1003730725 /nfs/dbraw/zinc/73/07/25/1003730725.db2.gz CWDVZOWCZXSOQQ-HNNXBMFYSA-N 1 0 417.893 3.878 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000511831932 1003805516 /nfs/dbraw/zinc/80/55/16/1003805516.db2.gz LKQCVXGPBVBWPS-HNNXBMFYSA-N 1 0 423.391 3.627 20 5 HHBDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc([N+](=O)[O-])c1 ZINC000511832609 1003807611 /nfs/dbraw/zinc/80/76/11/1003807611.db2.gz QDZQVCVDVXORLN-QGZVFWFLSA-N 1 0 407.392 3.926 20 5 HHBDRO Cc1c(Br)cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000509580292 1003958474 /nfs/dbraw/zinc/95/84/74/1003958474.db2.gz WDCXFDBFEFNZOU-CQSZACIVSA-N 1 0 412.309 3.760 20 5 HHBDRO Cc1c(Br)cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000509694937 1004034621 /nfs/dbraw/zinc/03/46/21/1004034621.db2.gz DISWWMOXTFLXHO-OAHLLOKOSA-N 1 0 412.309 3.760 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)n2)c1 ZINC000512237157 1004137790 /nfs/dbraw/zinc/13/77/90/1004137790.db2.gz NJEOPKWDMUIQCC-QHCPKHFHSA-N 1 0 419.485 3.743 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000501075450 1004180038 /nfs/dbraw/zinc/18/00/38/1004180038.db2.gz IKAUXPJXVMJSQA-MJGOQNOKSA-N 1 0 424.284 3.820 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000501075449 1004180083 /nfs/dbraw/zinc/18/00/83/1004180083.db2.gz IKAUXPJXVMJSQA-IEBWSBKVSA-N 1 0 424.284 3.820 20 5 HHBDRO CC(C)(C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000509980890 1004245684 /nfs/dbraw/zinc/24/56/84/1004245684.db2.gz DOTGYCCUMZLZLN-UHFFFAOYSA-N 1 0 413.440 3.794 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000510055897 1004295004 /nfs/dbraw/zinc/29/50/04/1004295004.db2.gz NKLPSLYGYZZLFT-CABCVRRESA-N 1 0 410.312 3.753 20 5 HHBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000510181230 1004379562 /nfs/dbraw/zinc/37/95/62/1004379562.db2.gz BBCFIKRLSLCZLL-AWEZNQCLSA-N 1 0 407.854 3.945 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+](C)C2CCN(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000510233647 1004413422 /nfs/dbraw/zinc/41/34/22/1004413422.db2.gz OBKWYGIZGKCSGO-UHFFFAOYSA-N 1 0 410.518 3.828 20 5 HHBDRO CCOc1cc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000501499958 1004469394 /nfs/dbraw/zinc/46/93/94/1004469394.db2.gz IITMMCWYPNQOSR-HUUCEWRRSA-N 1 0 408.499 3.634 20 5 HHBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000512683804 1004490856 /nfs/dbraw/zinc/49/08/56/1004490856.db2.gz XRCMLEFDUOSLLY-OALUTQOASA-N 1 0 412.534 3.845 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512696700 1004501057 /nfs/dbraw/zinc/50/10/57/1004501057.db2.gz DUIMAELBEDMXCA-DFOOEPSASA-N 1 0 421.545 3.537 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000501614470 1004553933 /nfs/dbraw/zinc/55/39/33/1004553933.db2.gz BBMPDHRSGWZQEQ-HOTGVXAUSA-N 1 0 420.469 3.584 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000510424782 1004557268 /nfs/dbraw/zinc/55/72/68/1004557268.db2.gz MSSWFTWAYAIUMW-UHFFFAOYSA-N 1 0 423.448 3.615 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000501770940 1004709649 /nfs/dbraw/zinc/70/96/49/1004709649.db2.gz REFZHRCVXIWDPX-IAGOWNOFSA-N 1 0 407.474 3.740 20 5 HHBDRO Cc1c(Br)cc(C(=O)N(CC[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000510634739 1004767874 /nfs/dbraw/zinc/76/78/74/1004767874.db2.gz MZLLGDFCOVLWEO-UHFFFAOYSA-N 1 0 406.280 3.874 20 5 HHBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510926372 1004936769 /nfs/dbraw/zinc/93/67/69/1004936769.db2.gz XCNJNMUDFXACED-UKRRQHHQSA-N 1 0 424.339 3.669 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2n[nH]cc2c1 ZINC000513402437 1004946090 /nfs/dbraw/zinc/94/60/90/1004946090.db2.gz WYIYXFUTTQZHNS-LBPRGKRZSA-N 1 0 422.470 3.884 20 5 HHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000511121639 1005029421 /nfs/dbraw/zinc/02/94/21/1005029421.db2.gz LJKXBHHZVOMIMH-HXUWFJFHSA-N 1 0 403.429 3.539 20 5 HHBDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1)C1CC1 ZINC000511126406 1005032906 /nfs/dbraw/zinc/03/29/06/1005032906.db2.gz PPUNIPFTEGMWJV-UHFFFAOYSA-N 1 0 408.502 3.542 20 5 HHBDRO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC000502380293 1005047350 /nfs/dbraw/zinc/04/73/50/1005047350.db2.gz VTNNCHAXKGQONI-SFHVURJKSA-N 1 0 411.506 3.869 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 ZINC000511164660 1005053628 /nfs/dbraw/zinc/05/36/28/1005053628.db2.gz JHJQJHRDWBJYKE-OAHLLOKOSA-N 1 0 424.457 3.516 20 5 HHBDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000511214005 1005077596 /nfs/dbraw/zinc/07/75/96/1005077596.db2.gz OBIFCVCIXXPJKT-UHFFFAOYSA-N 1 0 418.881 3.572 20 5 HHBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000502447846 1005079286 /nfs/dbraw/zinc/07/92/86/1005079286.db2.gz GZWYFQAYBKVDRI-IBGZPJMESA-N 1 0 405.542 3.926 20 5 HHBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000513699355 1005087778 /nfs/dbraw/zinc/08/77/78/1005087778.db2.gz MFGAVUZQQVICNW-HNNXBMFYSA-N 1 0 403.385 3.821 20 5 HHBDRO CC(C)(CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000513703899 1005089285 /nfs/dbraw/zinc/08/92/85/1005089285.db2.gz AHRVADSSDQDGRQ-UHFFFAOYSA-N 1 0 419.428 3.763 20 5 HHBDRO Cc1ccc(NCCCNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000511246630 1005089701 /nfs/dbraw/zinc/08/97/01/1005089701.db2.gz GZLVATIALPZGKO-MSOLQXFVSA-N 1 0 417.554 3.657 20 5 HHBDRO Cn1ccnc1[C@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000513761131 1005114122 /nfs/dbraw/zinc/11/41/22/1005114122.db2.gz MHMQLGHDDABCSE-FGZHOGPDSA-N 1 0 405.502 3.844 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000502588783 1005130476 /nfs/dbraw/zinc/13/04/76/1005130476.db2.gz NTBPFSGCXNELQG-KRWDZBQOSA-N 1 0 412.490 3.925 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000513828933 1005148959 /nfs/dbraw/zinc/14/89/59/1005148959.db2.gz SHSHNBZWMMVVPO-BGWNEDDSSA-N 1 0 409.530 3.533 20 5 HHBDRO CC(C)[NH+]1CCN(c2cccc(Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)c2)CC1 ZINC000502807138 1005225936 /nfs/dbraw/zinc/22/59/36/1005225936.db2.gz SNWBWHQJBQWSDH-UHFFFAOYSA-N 1 0 409.490 3.754 20 5 HHBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)CCOc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000502889660 1005260928 /nfs/dbraw/zinc/26/09/28/1005260928.db2.gz FFBWRVMTGJZNJP-UHFFFAOYSA-N 1 0 412.490 3.533 20 5 HHBDRO CCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502895550 1005264031 /nfs/dbraw/zinc/26/40/31/1005264031.db2.gz PKXVAJXMAZNVOQ-QGZVFWFLSA-N 1 0 412.490 3.687 20 5 HHBDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000511778318 1005322421 /nfs/dbraw/zinc/32/24/21/1005322421.db2.gz ZIHKJYOMCLRIFG-ZHALLVOQSA-N 1 0 415.877 3.691 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000503465313 1005428818 /nfs/dbraw/zinc/42/88/18/1005428818.db2.gz SMIBPYWKTTVCPH-KRWDZBQOSA-N 1 0 422.485 3.908 20 5 HHBDRO C[NH+](C)[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000531095611 1005990686 /nfs/dbraw/zinc/99/06/86/1005990686.db2.gz GLQPEEDURCRWAN-LJQANCHMSA-N 1 0 402.882 3.855 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000531204555 1006045737 /nfs/dbraw/zinc/04/57/37/1006045737.db2.gz HLVWQDMWTTYYRK-CVEARBPZSA-N 1 0 410.474 3.708 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H]3CCCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 ZINC000531257009 1006075552 /nfs/dbraw/zinc/07/55/52/1006075552.db2.gz JRXSENAHVNIWLV-INIZCTEOSA-N 1 0 406.529 3.721 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000514761504 1006113484 /nfs/dbraw/zinc/11/34/84/1006113484.db2.gz UMYWYSHGNJILOD-FQEVSTJZSA-N 1 0 420.513 3.968 20 5 HHBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000531341060 1006133853 /nfs/dbraw/zinc/13/38/53/1006133853.db2.gz OWMZOLUKFKUCKV-HSZRJFAPSA-N 1 0 408.502 3.793 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1 ZINC000514820185 1006151458 /nfs/dbraw/zinc/15/14/58/1006151458.db2.gz PQLGBEUVUCRNCN-SFHVURJKSA-N 1 0 414.469 3.818 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](Cc2ccccc2OC)C(C)C)c([N+](=O)[O-])c1 ZINC000531368612 1006153657 /nfs/dbraw/zinc/15/36/57/1006153657.db2.gz UUJUZMJYIQBKFS-HNAYVOBHSA-N 1 0 415.490 3.796 20 5 HHBDRO COc1ccc(C[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000534172916 1006156899 /nfs/dbraw/zinc/15/68/99/1006156899.db2.gz HOKVSWHGKGOQRU-JKSUJKDBSA-N 1 0 415.490 3.750 20 5 HHBDRO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531443709 1006200002 /nfs/dbraw/zinc/20/00/02/1006200002.db2.gz AZCQUKJUYYPLOG-KGLIPLIRSA-N 1 0 414.462 3.548 20 5 HHBDRO COc1cc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000534229751 1006228886 /nfs/dbraw/zinc/22/88/86/1006228886.db2.gz KCIQMYVLGQAAJQ-AUUYWEPGSA-N 1 0 421.856 3.819 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000515021056 1006254498 /nfs/dbraw/zinc/25/44/98/1006254498.db2.gz VNOOFLVRBQHQCJ-BOUXLOLZSA-N 1 0 416.909 3.919 20 5 HHBDRO CN(c1ccccc1)c1ccc(CNC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000531759122 1006402312 /nfs/dbraw/zinc/40/23/12/1006402312.db2.gz GPASCISOVBWISD-UPVQGACJSA-N 1 0 424.545 3.830 20 5 HHBDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000531884539 1006497932 /nfs/dbraw/zinc/49/79/32/1006497932.db2.gz LMIQIDNBOGPIIT-LJQANCHMSA-N 1 0 419.485 3.548 20 5 HHBDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531888766 1006500014 /nfs/dbraw/zinc/50/00/14/1006500014.db2.gz OSFWCJVCOJKVBB-UHFFFAOYSA-N 1 0 411.289 3.891 20 5 HHBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000531915846 1006517812 /nfs/dbraw/zinc/51/78/12/1006517812.db2.gz TUBQEOAHTFJBRC-DLBZAZTESA-N 1 0 400.422 3.984 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000531983574 1006559293 /nfs/dbraw/zinc/55/92/93/1006559293.db2.gz VLESPSPMWLLQQS-KBPBESRZSA-N 1 0 423.872 3.545 20 5 HHBDRO C[C@@H]1C[C@@H](CCNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[N@@H+]1Cc1ccccc1 ZINC000534573510 1006563605 /nfs/dbraw/zinc/56/36/05/1006563605.db2.gz NWONUPPNVZRJGV-UYAOXDASSA-N 1 0 422.529 3.963 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000534661100 1006638094 /nfs/dbraw/zinc/63/80/94/1006638094.db2.gz ZYLWNZBZVJWQTJ-QGZVFWFLSA-N 1 0 419.865 3.739 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](Cc2ccc(Cl)cc2)C2CCCCC2)c1 ZINC000538391391 1006660389 /nfs/dbraw/zinc/66/03/89/1006660389.db2.gz ADJFOAJQVIMZQK-PMACEKPBSA-N 1 0 406.914 3.587 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@]2(CCO)CCOC2)cc1 ZINC000532139802 1006666383 /nfs/dbraw/zinc/66/63/83/1006666383.db2.gz ZNWZQWOLXVEBGS-FQEVSTJZSA-N 1 0 406.866 3.919 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C ZINC000532213892 1006726249 /nfs/dbraw/zinc/72/62/49/1006726249.db2.gz ONWOWDZYIZYMLV-INIZCTEOSA-N 1 0 405.520 3.582 20 5 HHBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000534775479 1006773719 /nfs/dbraw/zinc/77/37/19/1006773719.db2.gz HWVSUZDLSGLVLO-UHFFFAOYSA-N 1 0 414.531 3.550 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000532419637 1006865419 /nfs/dbraw/zinc/86/54/19/1006865419.db2.gz VPCQWIQCUQJLGP-KRWDZBQOSA-N 1 0 403.523 3.938 20 5 HHBDRO CN1CCN([C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c2cccs2)CC1 ZINC000532441747 1006884762 /nfs/dbraw/zinc/88/47/62/1006884762.db2.gz IFXBTTSGZJOVAX-PZJWPPBQSA-N 1 0 414.575 3.556 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000532444572 1006887614 /nfs/dbraw/zinc/88/76/14/1006887614.db2.gz ZXXCSFAJDBPXGD-GOSISDBHSA-N 1 0 418.538 3.660 20 5 HHBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000516112830 1006891079 /nfs/dbraw/zinc/89/10/79/1006891079.db2.gz FHNKSPDMIYPVGD-QFIPXVFZSA-N 1 0 415.440 3.540 20 5 HHBDRO CC1CC[NH+]([C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c2ccccc2)CC1 ZINC000516139033 1006911464 /nfs/dbraw/zinc/91/14/64/1006911464.db2.gz ITKOCRMBQQAUKR-IBGZPJMESA-N 1 0 400.454 3.519 20 5 HHBDRO CCOC[C@H]1CCC[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000538727540 1007006176 /nfs/dbraw/zinc/00/61/76/1007006176.db2.gz ZCPQSRQXICCFLR-ZDUSSCGKSA-N 1 0 406.401 3.793 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534962865 1007012100 /nfs/dbraw/zinc/01/21/00/1007012100.db2.gz OBTLBJMGGPGPRP-KXBFYZLASA-N 1 0 420.872 3.880 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534962863 1007012500 /nfs/dbraw/zinc/01/25/00/1007012500.db2.gz OBTLBJMGGPGPRP-DNVCBOLYSA-N 1 0 420.872 3.880 20 5 HHBDRO CCOc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC(F)F ZINC000538735677 1007017316 /nfs/dbraw/zinc/01/73/16/1007017316.db2.gz UKXDQKYXVBRYFY-AWEZNQCLSA-N 1 0 408.405 3.676 20 5 HHBDRO NC(=O)c1ccc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)cc1 ZINC000538735416 1007018369 /nfs/dbraw/zinc/01/83/69/1007018369.db2.gz WETVDJSYJXVQEG-UHFFFAOYSA-N 1 0 422.510 3.744 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532647807 1007065979 /nfs/dbraw/zinc/06/59/79/1007065979.db2.gz GFTATXUZKBMPEH-MRXNPFEDSA-N 1 0 405.495 3.676 20 5 HHBDRO Cc1cccnc1[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000532709926 1007122820 /nfs/dbraw/zinc/12/28/20/1007122820.db2.gz HAYHLBHIJPLNTQ-KRWDZBQOSA-N 1 0 421.295 3.986 20 5 HHBDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532717301 1007129681 /nfs/dbraw/zinc/12/96/81/1007129681.db2.gz DBBRXZQAHXKUFI-UHFFFAOYSA-N 1 0 406.280 3.567 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000538866689 1007144766 /nfs/dbraw/zinc/14/47/66/1007144766.db2.gz ALPZBWCHINZCLN-OCCSQVGLSA-N 1 0 405.401 3.728 20 5 HHBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C2)CC1 ZINC000535141192 1007179722 /nfs/dbraw/zinc/17/97/22/1007179722.db2.gz JBPQUKQANKGGMY-INIZCTEOSA-N 1 0 400.504 3.522 20 5 HHBDRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000532866770 1007254368 /nfs/dbraw/zinc/25/43/68/1007254368.db2.gz RJOSSSFVQADJHP-UHFFFAOYSA-N 1 0 402.458 3.742 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1C(F)(F)F ZINC000535232603 1007286300 /nfs/dbraw/zinc/28/63/00/1007286300.db2.gz GBDGOJIVCKKPND-QAPCUYQASA-N 1 0 409.408 3.909 20 5 HHBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000516784078 1007287399 /nfs/dbraw/zinc/28/73/99/1007287399.db2.gz NAOMALQALDTPRU-UHFFFAOYSA-N 1 0 423.922 3.713 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccsc1 ZINC000535251998 1007303237 /nfs/dbraw/zinc/30/32/37/1007303237.db2.gz MMLCVDKIZJUXTE-LJQANCHMSA-N 1 0 402.520 3.807 20 5 HHBDRO CCc1ccc(C[NH+]2CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)s1 ZINC000532968506 1007334955 /nfs/dbraw/zinc/33/49/55/1007334955.db2.gz GJWFBWQYFDSXEW-UHFFFAOYSA-N 1 0 416.547 3.674 20 5 HHBDRO C[C@H](c1cccnc1)N1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532971157 1007339288 /nfs/dbraw/zinc/33/92/88/1007339288.db2.gz GIZGZUKPJARAGS-QGZVFWFLSA-N 1 0 407.474 3.566 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000532976300 1007345620 /nfs/dbraw/zinc/34/56/20/1007345620.db2.gz DLBUXOLKNCSNRL-HOCLYGCPSA-N 1 0 401.438 3.949 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000539049338 1007345714 /nfs/dbraw/zinc/34/57/14/1007345714.db2.gz OSABHDDYWSCHIQ-QQFBHYJXSA-N 1 0 405.495 3.802 20 5 HHBDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000539073320 1007364825 /nfs/dbraw/zinc/36/48/25/1007364825.db2.gz PNYLPSRRVFLRMT-LBPRGKRZSA-N 1 0 422.279 3.873 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)CC(F)(F)F)CC1 ZINC000539081240 1007371708 /nfs/dbraw/zinc/37/17/08/1007371708.db2.gz ZXWXLPVCNQLQCE-ZDUSSCGKSA-N 1 0 419.469 3.999 20 5 HHBDRO COc1ccc(CN2CC[C@H]([NH2+][C@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000539085568 1007374198 /nfs/dbraw/zinc/37/41/98/1007374198.db2.gz ONZPVEMLKQACDD-NYVOZVTQSA-N 1 0 423.513 3.705 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000539089387 1007379273 /nfs/dbraw/zinc/37/92/73/1007379273.db2.gz BWVPGKOZMKIBRH-CQSZACIVSA-N 1 0 418.881 3.974 20 5 HHBDRO C[C@@H](NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000517047937 1007381505 /nfs/dbraw/zinc/38/15/05/1007381505.db2.gz GURLZZYYYHYYGB-WZONZLPQSA-N 1 0 408.502 3.963 20 5 HHBDRO CCC(CC)(CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000517059045 1007389498 /nfs/dbraw/zinc/38/94/98/1007389498.db2.gz MGIAMEGZFQJSIO-OAHLLOKOSA-N 1 0 420.535 3.564 20 5 HHBDRO CCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000533057836 1007420356 /nfs/dbraw/zinc/42/03/56/1007420356.db2.gz VUFYVZATLYHHOM-UHFFFAOYSA-N 1 0 413.522 3.891 20 5 HHBDRO Cc1cc(N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)ccc1[N+](=O)[O-] ZINC000539186503 1007486048 /nfs/dbraw/zinc/48/60/48/1007486048.db2.gz IROZHBHHQOMERT-UHFFFAOYSA-N 1 0 413.503 3.770 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000533248188 1007567345 /nfs/dbraw/zinc/56/73/45/1007567345.db2.gz RRXMSKIWHVGJSH-IBGZPJMESA-N 1 0 411.458 3.574 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)[C@H](C)C1 ZINC000539293276 1007590726 /nfs/dbraw/zinc/59/07/26/1007590726.db2.gz JDSOAGNERKECCK-APWZRJJASA-N 1 0 423.579 3.962 20 5 HHBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000517398656 1007623966 /nfs/dbraw/zinc/62/39/66/1007623966.db2.gz SGQVVYQZQBIZRG-BETUJISGSA-N 1 0 403.401 3.529 20 5 HHBDRO COc1ccc(C[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000535628379 1007630602 /nfs/dbraw/zinc/63/06/02/1007630602.db2.gz PGFJSKHFHVBYMN-HOTGVXAUSA-N 1 0 415.490 3.750 20 5 HHBDRO CC(C)(C)c1ccc(Oc2ccc(C[NH2+]CC3(CO)COC3)cc2[N+](=O)[O-])cc1 ZINC000533330745 1007640748 /nfs/dbraw/zinc/64/07/48/1007640748.db2.gz WHKNFFDEOCBZAW-UHFFFAOYSA-N 1 0 400.475 3.783 20 5 HHBDRO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000539381388 1007685450 /nfs/dbraw/zinc/68/54/50/1007685450.db2.gz VUDDQTYIGKLQLS-CVEARBPZSA-N 1 0 415.490 3.839 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535672627 1007693238 /nfs/dbraw/zinc/69/32/38/1007693238.db2.gz WXCXRUNTYKTWOY-QRWLVFNGSA-N 1 0 405.857 3.739 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535682455 1007713097 /nfs/dbraw/zinc/71/30/97/1007713097.db2.gz ZQPSUWUZOICMBK-UHFFFAOYSA-N 1 0 422.529 3.830 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000533436760 1007751272 /nfs/dbraw/zinc/75/12/72/1007751272.db2.gz QMXWKEXHRIHMEH-MRXNPFEDSA-N 1 0 401.438 3.636 20 5 HHBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccco1 ZINC000517647624 1007858633 /nfs/dbraw/zinc/85/86/33/1007858633.db2.gz LBNBSFPIXQKSCW-LJQANCHMSA-N 1 0 400.479 3.919 20 5 HHBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2cc3ccccc3[nH]2)c1 ZINC000517786029 1007967602 /nfs/dbraw/zinc/96/76/02/1007967602.db2.gz HQHJNHLIKFCLSF-UHFFFAOYSA-N 1 0 407.211 3.971 20 5 HHBDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)C2)c1 ZINC000539665138 1007983673 /nfs/dbraw/zinc/98/36/73/1007983673.db2.gz ZWKJYEYPKCUYGR-AVRDEDQJSA-N 1 0 411.502 3.802 20 5 HHBDRO COc1cc(C[N@H+](C)CC2(O)CCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539825202 1008119979 /nfs/dbraw/zinc/11/99/79/1008119979.db2.gz OKJAQNCXSQVUGO-UHFFFAOYSA-N 1 0 400.475 3.919 20 5 HHBDRO COc1cc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539893369 1008168347 /nfs/dbraw/zinc/16/83/47/1008168347.db2.gz XGUWDTLTWIQPIJ-ICSRJNTNSA-N 1 0 400.475 3.775 20 5 HHBDRO CC(C)(COc1ncccc1Br)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000539912744 1008181041 /nfs/dbraw/zinc/18/10/41/1008181041.db2.gz SJLSQPWDLHITLM-UHFFFAOYSA-N 1 0 410.268 3.578 20 5 HHBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000533907993 1008197717 /nfs/dbraw/zinc/19/77/17/1008197717.db2.gz XFQXEJWYNYKQFL-UHFFFAOYSA-N 1 0 410.499 3.806 20 5 HHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2cnc(SC3CCCC3)nc2)n1 ZINC000518205112 1008205357 /nfs/dbraw/zinc/20/53/57/1008205357.db2.gz RDTSQXQHEOHYJQ-MSOLQXFVSA-N 1 0 416.551 3.932 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)COc1ccccc1Br ZINC000540159695 1008316012 /nfs/dbraw/zinc/31/60/12/1008316012.db2.gz LDVNSMAOIUXBIU-ZBFHGGJFSA-N 1 0 423.307 3.708 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000540161937 1008317386 /nfs/dbraw/zinc/31/73/86/1008317386.db2.gz COIZLDBVFARAJD-LLVKDONJSA-N 1 0 413.261 3.682 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000540171412 1008321267 /nfs/dbraw/zinc/32/12/67/1008321267.db2.gz VMUNHQMYATYSPV-CQSZACIVSA-N 1 0 411.487 3.663 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000540186269 1008327650 /nfs/dbraw/zinc/32/76/50/1008327650.db2.gz QVFUMVFZBUZNAC-INIZCTEOSA-N 1 0 415.515 3.871 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000518615301 1008366232 /nfs/dbraw/zinc/36/62/32/1008366232.db2.gz FEISBPMUTLNQFP-WMLDXEAASA-N 1 0 423.267 3.642 20 5 HHBDRO COc1cc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(OC)c1OC ZINC000540324406 1008380396 /nfs/dbraw/zinc/38/03/96/1008380396.db2.gz BAPMWGMFHMKHII-AWEZNQCLSA-N 1 0 417.462 3.608 20 5 HHBDRO Cc1ccc(S(=O)(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cc1[N+](=O)[O-] ZINC000540331820 1008384179 /nfs/dbraw/zinc/38/41/79/1008384179.db2.gz PZSSSDFDLMDWLA-UHFFFAOYSA-N 1 0 421.544 3.561 20 5 HHBDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1OC(F)F ZINC000540345087 1008390833 /nfs/dbraw/zinc/39/08/33/1008390833.db2.gz ZHSUPNYDZNHIKQ-GFCCVEGCSA-N 1 0 407.373 3.845 20 5 HHBDRO CCCOc1ccc([C@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1OC ZINC000540353249 1008395441 /nfs/dbraw/zinc/39/54/41/1008395441.db2.gz WZMNSKAVQOLCJR-HNNXBMFYSA-N 1 0 413.474 3.632 20 5 HHBDRO Cc1c(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000518726865 1008404831 /nfs/dbraw/zinc/40/48/31/1008404831.db2.gz CJOUVMHXENDIJC-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCCc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000540475338 1008446376 /nfs/dbraw/zinc/44/63/76/1008446376.db2.gz NRRRSAMYQWBSEZ-AWEZNQCLSA-N 1 0 407.417 3.514 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)cc1[N+](=O)[O-] ZINC000540475575 1008446429 /nfs/dbraw/zinc/44/64/29/1008446429.db2.gz PQMUMXSWSOHAEH-YWZLYKJASA-N 1 0 410.499 3.916 20 5 HHBDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000540480568 1008448637 /nfs/dbraw/zinc/44/86/37/1008448637.db2.gz OKBYUVJAJOAHJK-OAHLLOKOSA-N 1 0 415.446 3.648 20 5 HHBDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543138539 1008711491 /nfs/dbraw/zinc/71/14/91/1008711491.db2.gz DHFUEEWTPBMXCY-MRXNPFEDSA-N 1 0 423.307 3.708 20 5 HHBDRO Cc1ccc(C(=O)C2CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000543139980 1008712321 /nfs/dbraw/zinc/71/23/21/1008712321.db2.gz HAIZXZFTKRZLRV-IBGZPJMESA-N 1 0 412.486 3.546 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000543184239 1008758602 /nfs/dbraw/zinc/75/86/02/1008758602.db2.gz ZLHBHVSAGXGDGW-HUUCEWRRSA-N 1 0 402.344 3.757 20 5 HHBDRO C[NH+](C)CCOc1cccc(-c2noc(-c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)n2)c1 ZINC000545673213 1008765834 /nfs/dbraw/zinc/76/58/34/1008765834.db2.gz UAVKVOBULSRJPT-UHFFFAOYSA-N 1 0 421.413 3.506 20 5 HHBDRO COc1cc(C[N@H+](C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000543239014 1008807844 /nfs/dbraw/zinc/80/78/44/1008807844.db2.gz NUIIXVDFZFEMOC-LLVKDONJSA-N 1 0 401.435 3.939 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)s1 ZINC000549264248 1008833915 /nfs/dbraw/zinc/83/39/15/1008833915.db2.gz TVTYVPNFFSVDRE-YWZLYKJASA-N 1 0 402.516 3.981 20 5 HHBDRO Cc1cccc(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)c1[N+](=O)[O-] ZINC000519507410 1008880541 /nfs/dbraw/zinc/88/05/41/1008880541.db2.gz WZFVAVZSQUMOIU-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO CCc1ccc([C@H](NC2CC[NH+](CCCOC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543401120 1008992551 /nfs/dbraw/zinc/99/25/51/1008992551.db2.gz IVLNYFDYYNLJPW-JOCHJYFZSA-N 1 0 401.507 3.930 20 5 HHBDRO C[C@@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543452329 1009037178 /nfs/dbraw/zinc/03/71/78/1009037178.db2.gz TTYFGUREVOLPDY-MRXNPFEDSA-N 1 0 414.481 3.998 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)c1 ZINC000549454398 1009045306 /nfs/dbraw/zinc/04/53/06/1009045306.db2.gz OUDAOYIMNUYODI-GOSISDBHSA-N 1 0 412.490 3.515 20 5 HHBDRO COC(=O)C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000543461316 1009048706 /nfs/dbraw/zinc/04/87/06/1009048706.db2.gz YPRDQWGIRRKANA-SUMWQHHRSA-N 1 0 402.451 3.807 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000519891683 1009058460 /nfs/dbraw/zinc/05/84/60/1009058460.db2.gz NNKOJGSFMKMHFQ-NVXWUHKLSA-N 1 0 421.494 3.580 20 5 HHBDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCCO2 ZINC000543598165 1009203153 /nfs/dbraw/zinc/20/31/53/1009203153.db2.gz RLNRQEQNORDAJS-FQEVSTJZSA-N 1 0 418.515 3.995 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)cc1 ZINC000543641205 1009245012 /nfs/dbraw/zinc/24/50/12/1009245012.db2.gz YVSKWPAAZXXFCE-LJQANCHMSA-N 1 0 402.426 3.701 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000520246018 1009365609 /nfs/dbraw/zinc/36/56/09/1009365609.db2.gz CPACVMFGMVLMRA-GOSISDBHSA-N 1 0 407.474 3.598 20 5 HHBDRO C/C(=C/c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000546363409 1009373193 /nfs/dbraw/zinc/37/31/93/1009373193.db2.gz LSNOVWFCSQXXED-PEZBUJJGSA-N 1 0 420.473 3.742 20 5 HHBDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543860293 1009427430 /nfs/dbraw/zinc/42/74/30/1009427430.db2.gz SSKFRFILEYYRDL-ZDUSSCGKSA-N 1 0 407.820 3.871 20 5 HHBDRO Cc1cc(C(=O)NCC(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000543878695 1009451243 /nfs/dbraw/zinc/45/12/43/1009451243.db2.gz NHPDLHKNVBSQNS-UHFFFAOYSA-N 1 0 424.501 3.648 20 5 HHBDRO COc1cccc([C@H](CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)[NH+]2CCCC2)c1 ZINC000543886133 1009461754 /nfs/dbraw/zinc/46/17/54/1009461754.db2.gz WLJMTPFLVADFKO-IBGZPJMESA-N 1 0 414.462 3.571 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)o1 ZINC000546584120 1009608624 /nfs/dbraw/zinc/60/86/24/1009608624.db2.gz NRTWNMIEFAUTER-SFHVURJKSA-N 1 0 403.454 3.866 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000544132534 1009742079 /nfs/dbraw/zinc/74/20/79/1009742079.db2.gz LOEYBVWSSMWPQV-IHWFROFDSA-N 1 0 424.501 3.598 20 5 HHBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000550239582 1009797745 /nfs/dbraw/zinc/79/77/45/1009797745.db2.gz WBHLGSNZCCBEFH-VGSWGCGISA-N 1 0 405.539 3.946 20 5 HHBDRO Cn1ccnc1C(=O)c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000520867719 1009921244 /nfs/dbraw/zinc/92/12/44/1009921244.db2.gz KYOXBLXDGKGVFN-NRFANRHFSA-N 1 0 419.485 3.808 20 5 HHBDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000520949431 1010001720 /nfs/dbraw/zinc/00/17/20/1010001720.db2.gz BGKZPCFTBSXSIH-QGZVFWFLSA-N 1 0 419.485 3.548 20 5 HHBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000544442436 1010066703 /nfs/dbraw/zinc/06/67/03/1010066703.db2.gz QPCKFAIFZQZCBP-GOSISDBHSA-N 1 0 401.438 3.889 20 5 HHBDRO Cc1nn(CCc2nc(-c3ccccc3C[NH+]3CCCCC3)no2)c(C)c1[N+](=O)[O-] ZINC000547118744 1010071418 /nfs/dbraw/zinc/07/14/18/1010071418.db2.gz VNEQDTHGIQVXPR-UHFFFAOYSA-N 1 0 410.478 3.687 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000550699161 1010110145 /nfs/dbraw/zinc/11/01/45/1010110145.db2.gz OUTNEJFJPXKPJA-ZWKOTPCHSA-N 1 0 418.291 3.841 20 5 HHBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000544525520 1010154262 /nfs/dbraw/zinc/15/42/62/1010154262.db2.gz HYNBZOJXZFJLRT-JXFKEZNVSA-N 1 0 417.437 3.533 20 5 HHBDRO C[NH+]1CCN(c2ccnc(-c3noc(-c4cc5cc([N+](=O)[O-])ccc5s4)n3)c2)CC1 ZINC000547214495 1010159397 /nfs/dbraw/zinc/15/93/97/1010159397.db2.gz WLFPWIDUUSRXQC-UHFFFAOYSA-N 1 0 422.470 3.673 20 5 HHBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000544573578 1010202659 /nfs/dbraw/zinc/20/26/59/1010202659.db2.gz ZHCPYQZWKRIAKU-GFCCVEGCSA-N 1 0 402.394 3.738 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)cc1 ZINC000544573905 1010203114 /nfs/dbraw/zinc/20/31/14/1010203114.db2.gz BAMHBVLTTFSYGB-PKOBYXMFSA-N 1 0 408.907 3.948 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000544574358 1010203409 /nfs/dbraw/zinc/20/34/09/1010203409.db2.gz RZVUKAPKNSQMLO-RBUKOAKNSA-N 1 0 408.907 3.948 20 5 HHBDRO C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544574341 1010203437 /nfs/dbraw/zinc/20/34/37/1010203437.db2.gz ROOWRCWSWOZVKQ-LBPRGKRZSA-N 1 0 402.925 3.694 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cc2[N+](=O)[O-])n1 ZINC000521312042 1010296712 /nfs/dbraw/zinc/29/67/12/1010296712.db2.gz PIPPVNDMZNXWEZ-CYBMUJFWSA-N 1 0 418.544 3.725 20 5 HHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000521428757 1010370663 /nfs/dbraw/zinc/37/06/63/1010370663.db2.gz SLBJYKVZKKLIKK-UHFFFAOYSA-N 1 0 407.474 3.552 20 5 HHBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544894157 1010471384 /nfs/dbraw/zinc/47/13/84/1010471384.db2.gz RPSGBUMWOULVAR-OAQYLSRUSA-N 1 0 410.518 3.828 20 5 HHBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000521642997 1010519736 /nfs/dbraw/zinc/51/97/36/1010519736.db2.gz SPGOGITVAAWZGU-CQSZACIVSA-N 1 0 414.428 3.549 20 5 HHBDRO CC[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCOC(C)(C)C1 ZINC000521692700 1010555144 /nfs/dbraw/zinc/55/51/44/1010555144.db2.gz BPYQGUXLGXHTAN-INIZCTEOSA-N 1 0 418.519 3.936 20 5 HHBDRO CNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000521815324 1010637762 /nfs/dbraw/zinc/63/77/62/1010637762.db2.gz UBPILEJLVVZISK-UHFFFAOYSA-N 1 0 417.512 3.521 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000521829824 1010644885 /nfs/dbraw/zinc/64/48/85/1010644885.db2.gz WYISJFOFVRQDFU-FQEVSTJZSA-N 1 0 419.909 3.810 20 5 HHBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000521887270 1010686686 /nfs/dbraw/zinc/68/66/86/1010686686.db2.gz LZDKVZUHVHTYAJ-UHFFFAOYSA-N 1 0 410.518 3.763 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1)CC(C)C ZINC000548751139 1010723110 /nfs/dbraw/zinc/72/31/10/1010723110.db2.gz VUUHBQSCPOBPAO-UHFFFAOYSA-N 1 0 404.555 3.927 20 5 HHBDRO CC1CCN([C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000548761198 1010725238 /nfs/dbraw/zinc/72/52/38/1010725238.db2.gz RABPRSNIJTUINY-QFIPXVFZSA-N 1 0 410.518 3.986 20 5 HHBDRO CC[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000545396541 1010771677 /nfs/dbraw/zinc/77/16/77/1010771677.db2.gz RPYQILLDGPRSSN-LJQANCHMSA-N 1 0 407.474 3.741 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000522177724 1010849045 /nfs/dbraw/zinc/84/90/45/1010849045.db2.gz DUZGLSBENYEMJJ-CQSZACIVSA-N 1 0 423.872 3.745 20 5 HHBDRO Cc1cc(S(=O)(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000522415885 1010992887 /nfs/dbraw/zinc/99/28/87/1010992887.db2.gz OIMYKWZDHDGBRK-MRXNPFEDSA-N 1 0 417.531 3.614 20 5 HHBDRO CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000536193809 1011335650 /nfs/dbraw/zinc/33/56/50/1011335650.db2.gz UADZWXXTRQRYJP-UHFFFAOYSA-N 1 0 406.486 3.742 20 5 HHBDRO C[C@@](O)(C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000536338388 1011540877 /nfs/dbraw/zinc/54/08/77/1011540877.db2.gz GLAGYWKUFUIVJG-LJQANCHMSA-N 1 0 420.391 3.850 20 5 HHBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000540867247 1011547155 /nfs/dbraw/zinc/54/71/55/1011547155.db2.gz ZZNDQWSYLWCUSY-QGZVFWFLSA-N 1 0 423.473 3.647 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)nc1-c1ccccc1 ZINC000536389447 1011597149 /nfs/dbraw/zinc/59/71/49/1011597149.db2.gz ABGDGOCTQOXWHL-SFTDATJTSA-N 1 0 418.497 3.952 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC3(C[C@@H]3C(=O)OC)CC2)cc1OC ZINC000541056209 1011695814 /nfs/dbraw/zinc/69/58/14/1011695814.db2.gz DZJFHXPXXLIASP-DOTOQJQBSA-N 1 0 420.506 3.803 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC3(C[C@H]3C(=O)OC)CC2)cc1OC ZINC000541056214 1011696138 /nfs/dbraw/zinc/69/61/38/1011696138.db2.gz DZJFHXPXXLIASP-RDJZCZTQSA-N 1 0 420.506 3.803 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1OC ZINC000541060298 1011700662 /nfs/dbraw/zinc/70/06/62/1011700662.db2.gz OWSYWBSSYHFVGU-LZLYRXPVSA-N 1 0 419.522 3.519 20 5 HHBDRO COc1ccc(-c2ccc(C[NH+]3CCC(N4CCCCC4=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000536665511 1011816056 /nfs/dbraw/zinc/81/60/56/1011816056.db2.gz NMTBSMXHSUDIMH-UHFFFAOYSA-N 1 0 413.474 3.840 20 5 HHBDRO COc1ccc(CN2CC[NH+](C3CCC3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000536674315 1011832436 /nfs/dbraw/zinc/83/24/36/1011832436.db2.gz LXQAJPMUIJWVEU-UHFFFAOYSA-N 1 0 411.502 3.853 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000551736949 1011897956 /nfs/dbraw/zinc/89/79/56/1011897956.db2.gz VGQKMHGFDMAYTN-UHFFFAOYSA-N 1 0 418.444 3.722 20 5 HHBDRO COc1ccc(C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000536743471 1011925797 /nfs/dbraw/zinc/92/57/97/1011925797.db2.gz DNTFSAOVXGWWOQ-RDJZCZTQSA-N 1 0 402.495 3.926 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)o2)c(Br)c1 ZINC000541553509 1012340856 /nfs/dbraw/zinc/34/08/56/1012340856.db2.gz HSBKZSVRTJAVEQ-UXEPBGEESA-N 1 0 407.264 3.820 20 5 HHBDRO Cc1c(Br)c(NCC2CCN(c3cc[nH+]cc3)CC2)ncc1[N+](=O)[O-] ZINC000541576144 1012367132 /nfs/dbraw/zinc/36/71/32/1012367132.db2.gz ZCPIIHCXYCNDFD-UHFFFAOYSA-N 1 0 406.284 3.784 20 5 HHBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000537049672 1012373288 /nfs/dbraw/zinc/37/32/88/1012373288.db2.gz NTPFJOZMTLQMSP-OAHLLOKOSA-N 1 0 406.442 3.519 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000523757347 1012383731 /nfs/dbraw/zinc/38/37/31/1012383731.db2.gz GEZTVBFHDHOING-HKUYNNGSSA-N 1 0 417.531 3.749 20 5 HHBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000537061179 1012396345 /nfs/dbraw/zinc/39/63/45/1012396345.db2.gz GQWUSNWFCCZDAC-FZKQIMNGSA-N 1 0 423.391 3.992 20 5 HHBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000541602662 1012400170 /nfs/dbraw/zinc/40/01/70/1012400170.db2.gz FXMYBRCZZQIFHR-ZYHUDNBSSA-N 1 0 413.400 3.648 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000537064743 1012402372 /nfs/dbraw/zinc/40/23/72/1012402372.db2.gz NEOCMBOJJREEJZ-LBPRGKRZSA-N 1 0 407.854 3.945 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C3CC3)C3(CO)CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000552392104 1012402750 /nfs/dbraw/zinc/40/27/50/1012402750.db2.gz GWLCMDZMKJPGEO-OAQYLSRUSA-N 1 0 416.474 3.521 20 5 HHBDRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000537074357 1012415415 /nfs/dbraw/zinc/41/54/15/1012415415.db2.gz FHEGQJNPHRFPSG-MGPUTAFESA-N 1 0 413.474 3.626 20 5 HHBDRO C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000552411886 1012427311 /nfs/dbraw/zinc/42/73/11/1012427311.db2.gz ZJCMIVNLTRLQOP-CRAIPNDOSA-N 1 0 403.429 3.929 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000537086758 1012439293 /nfs/dbraw/zinc/43/92/93/1012439293.db2.gz KVPUKMCUQYOACV-AWEZNQCLSA-N 1 0 417.462 3.608 20 5 HHBDRO C[NH+]1CCC(Oc2ccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000552433460 1012452234 /nfs/dbraw/zinc/45/22/34/1012452234.db2.gz KMFIRTPUCBDUPT-UHFFFAOYSA-N 1 0 417.893 3.580 20 5 HHBDRO COc1cc(C)c([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000537093277 1012452725 /nfs/dbraw/zinc/45/27/25/1012452725.db2.gz GECXXEAYZFRNGC-HNNXBMFYSA-N 1 0 401.463 3.908 20 5 HHBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000552468741 1012494378 /nfs/dbraw/zinc/49/43/78/1012494378.db2.gz XPANTANAWNPAMW-HSZRJFAPSA-N 1 0 415.493 3.723 20 5 HHBDRO C[N@H+](CCc1cccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1)C1CC1 ZINC000537130546 1012513720 /nfs/dbraw/zinc/51/37/20/1012513720.db2.gz OYNLWQBZZUCAJB-UHFFFAOYSA-N 1 0 405.458 3.670 20 5 HHBDRO COc1cc(C[N@H+](C)C[C@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000552488838 1012514027 /nfs/dbraw/zinc/51/40/27/1012514027.db2.gz MIWMTRHCKDRXDV-YLJYHZDGSA-N 1 0 400.475 3.775 20 5 HHBDRO C[C@@H](C(=O)N(CCCc1ccccc1)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000541694391 1012541563 /nfs/dbraw/zinc/54/15/63/1012541563.db2.gz USEGAQCSWVMFFB-QGZVFWFLSA-N 1 0 401.482 3.860 20 5 HHBDRO C[C@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541728924 1012580213 /nfs/dbraw/zinc/58/02/13/1012580213.db2.gz WUJLCCWUVNCRNC-INIZCTEOSA-N 1 0 415.465 3.628 20 5 HHBDRO C[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000523958320 1012701883 /nfs/dbraw/zinc/70/18/83/1012701883.db2.gz RHGXGJCNEBESAP-OAHLLOKOSA-N 1 0 417.893 3.580 20 5 HHBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000541833647 1012720314 /nfs/dbraw/zinc/72/03/14/1012720314.db2.gz IFVFTCPESXOQIA-CYBMUJFWSA-N 1 0 419.432 3.508 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541833624 1012720440 /nfs/dbraw/zinc/72/04/40/1012720440.db2.gz HLUVSMFOZHWSPC-KRWDZBQOSA-N 1 0 416.453 3.958 20 5 HHBDRO COc1cc(C[NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)c([N+](=O)[O-])cc1OC ZINC000537299963 1012757512 /nfs/dbraw/zinc/75/75/12/1012757512.db2.gz NQTVCJPCSTUYHU-UHFFFAOYSA-N 1 0 421.538 3.515 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000537319827 1012778404 /nfs/dbraw/zinc/77/84/04/1012778404.db2.gz VWQVNAFEQYMVDZ-UHFFFAOYSA-N 1 0 403.523 3.787 20 5 HHBDRO C[C@H](c1ccncc1)N1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000537324582 1012781869 /nfs/dbraw/zinc/78/18/69/1012781869.db2.gz BYKZTIRNIRUSKJ-QGZVFWFLSA-N 1 0 420.517 3.706 20 5 HHBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1OC(F)F ZINC000541932225 1012793528 /nfs/dbraw/zinc/79/35/28/1012793528.db2.gz IUSHDMCZVQPKMU-QGZVFWFLSA-N 1 0 407.417 3.765 20 5 HHBDRO NC(=O)[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1Cl ZINC000537431963 1012919642 /nfs/dbraw/zinc/91/96/42/1012919642.db2.gz OJOKMDALIOVGAJ-HNNXBMFYSA-N 1 0 413.861 3.942 20 5 HHBDRO Cc1cc(C(=O)NCC(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000542079366 1013001780 /nfs/dbraw/zinc/00/17/80/1013001780.db2.gz KNWYAFJYKKJURM-QGZVFWFLSA-N 1 0 424.501 3.646 20 5 HHBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 ZINC001625983156 1072214501 /nfs/dbraw/zinc/21/45/01/1072214501.db2.gz ZNIVJLLIEGJPGL-UHFFFAOYSA-N 1 0 402.882 3.571 20 5 HHBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C2CC(C(F)(F)F)C2)c1 ZINC000571092159 1072559291 /nfs/dbraw/zinc/55/92/91/1072559291.db2.gz KLHSFAXEVUWGMZ-UHFFFAOYSA-N 1 0 400.138 3.630 20 5 HHBDRO Cc1csc([C@H](C)C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000572326866 1073241249 /nfs/dbraw/zinc/24/12/49/1073241249.db2.gz JWQWCQGMLGGASE-SECBINFHSA-N 1 0 417.272 3.858 20 5 HHBDRO C[N@@H+]1C[C@H]2CCN(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590052751 1073528148 /nfs/dbraw/zinc/52/81/48/1073528148.db2.gz KKIVBDRFAPJDHQ-GCJKJVERSA-N 1 0 403.486 3.583 20 5 HHBDRO Cc1cc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590138343 1073623043 /nfs/dbraw/zinc/62/30/43/1073623043.db2.gz VSBULSQWWXPHOQ-UHFFFAOYSA-N 1 0 414.472 3.917 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@H]([NH+](C)C)[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000590404005 1073788037 /nfs/dbraw/zinc/78/80/37/1073788037.db2.gz RJXDSNMZYQQGEM-JSGCOSHPSA-N 1 0 406.533 3.676 20 5 HHBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1Br ZINC000760788624 1073987724 /nfs/dbraw/zinc/98/77/24/1073987724.db2.gz UCGQPBAUULJYHC-UHFFFAOYSA-N 1 0 418.291 3.883 20 5 HHBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001126958025 1074141911 /nfs/dbraw/zinc/14/19/11/1074141911.db2.gz BDMLDVZKVMAANU-UHFFFAOYSA-N 1 0 423.941 3.580 20 5 HHBDRO CN1CC[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000573409546 1074401062 /nfs/dbraw/zinc/40/10/62/1074401062.db2.gz WAYWTTVSXZOYSO-PKOBYXMFSA-N 1 0 423.300 3.875 20 5 HHBDRO CC1CC[NH+]([C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c2cccs2)CC1 ZINC000591719436 1074482088 /nfs/dbraw/zinc/48/20/88/1074482088.db2.gz TUUHWYMAZKZIDM-INIZCTEOSA-N 1 0 417.487 3.588 20 5 HHBDRO NC(=O)c1cccc(NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000573825721 1074651568 /nfs/dbraw/zinc/65/15/68/1074651568.db2.gz SQSHCBCHYIQUMY-MRXNPFEDSA-N 1 0 402.882 3.814 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000574459833 1075257844 /nfs/dbraw/zinc/25/78/44/1075257844.db2.gz AGMNIORYBLUTQP-JOCHJYFZSA-N 1 0 410.518 3.689 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCC(C4C[NH2+]C4)CC3)c(Cl)nn2)cc1 ZINC001164615134 719037717 /nfs/dbraw/zinc/03/77/17/719037717.db2.gz JYFZDPURKRVJTG-UHFFFAOYSA-N 1 0 423.851 3.686 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCC(C3C[NH2+]C3)CC2)c(Cl)nn1 ZINC001164615087 719037943 /nfs/dbraw/zinc/03/79/43/719037943.db2.gz IMKRLUUQUDBYET-UHFFFAOYSA-N 1 0 423.851 3.686 20 5 HHBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001164621263 719044977 /nfs/dbraw/zinc/04/49/77/719044977.db2.gz IDQUYKMHMDZUCW-SJLPKXTDSA-N 1 0 408.836 3.772 20 5 HHBDRO CN(C)/C=C/c1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001164626002 719095986 /nfs/dbraw/zinc/09/59/86/719095986.db2.gz HWKPKRFNTXTCKP-JULKJZNHSA-N 1 0 407.518 3.623 20 5 HHBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4[nH]cc([N+](=O)[O-])c4n2)CC3)cs1 ZINC001164691987 719810431 /nfs/dbraw/zinc/81/04/31/719810431.db2.gz DQJJXFOUAYAHFE-UHFFFAOYSA-N 1 0 412.519 3.871 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl ZINC001164834707 720527779 /nfs/dbraw/zinc/52/77/79/720527779.db2.gz HFZOWWBOLDJBSO-BRWVUGGUSA-N 1 0 418.929 3.526 20 5 HHBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164842432 720529569 /nfs/dbraw/zinc/52/95/69/720529569.db2.gz XGNZRIHZYZSMKI-JFIYKMOQSA-N 1 0 418.929 3.526 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC001164841995 720661881 /nfs/dbraw/zinc/66/18/81/720661881.db2.gz RNKBTOUYTOQLST-SFHVURJKSA-N 1 0 416.909 3.903 20 5 HHBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164791079 721491846 /nfs/dbraw/zinc/49/18/46/721491846.db2.gz ANURRVRDIYMHTO-UHFFFAOYSA-N 1 0 418.501 3.814 20 5 HHBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c2ccccc21 ZINC001164903988 721529405 /nfs/dbraw/zinc/52/94/05/721529405.db2.gz DPPUTCSVJDRYBV-SJLPKXTDSA-N 1 0 408.433 3.624 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907056 721697923 /nfs/dbraw/zinc/69/79/23/721697923.db2.gz QTCBNQJZZPSKNJ-GOSISDBHSA-N 1 0 423.851 3.776 20 5 HHBDRO C[NH+]1CCN(C[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000301172602 970786138 /nfs/dbraw/zinc/78/61/38/970786138.db2.gz UZCHDVXUOVTECB-GOSISDBHSA-N 1 0 419.323 3.758 20 5 HHBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301228344 970820858 /nfs/dbraw/zinc/82/08/58/970820858.db2.gz HXTPQACVQUSWSG-RBSFLKMASA-N 1 0 419.913 3.572 20 5 HHBDRO CCc1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301272314 970843497 /nfs/dbraw/zinc/84/34/97/970843497.db2.gz KMRDXOBIUNCYEJ-INIZCTEOSA-N 1 0 411.506 3.527 20 5 HHBDRO O=C(c1ccccc1)c1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000301277936 970846290 /nfs/dbraw/zinc/84/62/90/970846290.db2.gz MVLLPPCMKXDNTH-QGZVFWFLSA-N 1 0 409.486 3.739 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000301378043 970896601 /nfs/dbraw/zinc/89/66/01/970896601.db2.gz SHOMBNYSBXQJQU-UHFFFAOYSA-N 1 0 402.373 3.834 20 5 HHBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000301530672 970969312 /nfs/dbraw/zinc/96/93/12/970969312.db2.gz PHVFBBAVBSSCEP-KRWDZBQOSA-N 1 0 402.476 3.862 20 5 HHBDRO O=C(NC1CC1)c1ccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000301572535 970985587 /nfs/dbraw/zinc/98/55/87/970985587.db2.gz YRPNTVOWWHIANT-QGZVFWFLSA-N 1 0 400.523 3.579 20 5 HHBDRO O=[N+]([O-])c1cc(Br)cnc1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000301702358 971034281 /nfs/dbraw/zinc/03/42/81/971034281.db2.gz UFABDGFHSZNQQJ-UHFFFAOYSA-N 1 0 409.259 3.968 20 5 HHBDRO CS(=O)(=O)c1cccc(NCc2ccccc2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000301911458 971111451 /nfs/dbraw/zinc/11/14/51/971111451.db2.gz SRFMHUUKPLJJNV-UHFFFAOYSA-N 1 0 403.504 3.596 20 5 HHBDRO CNC(=O)c1ccc(NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000301901192 971106886 /nfs/dbraw/zinc/10/68/86/971106886.db2.gz ZWGLVNWDPHWOGE-IFXJQAMLSA-N 1 0 420.872 3.852 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301939008 971126270 /nfs/dbraw/zinc/12/62/70/971126270.db2.gz SOUUZVDAWPYIQQ-CQSZACIVSA-N 1 0 423.560 3.904 20 5 HHBDRO CCN1CC[C@H](Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000302003546 971149711 /nfs/dbraw/zinc/14/97/11/971149711.db2.gz YGTWCGIBDRCWRW-PKOBYXMFSA-N 1 0 420.872 3.994 20 5 HHBDRO Cc1cc(NCc2cccc(N3CCCS3(=O)=O)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302163134 971191519 /nfs/dbraw/zinc/19/15/19/971191519.db2.gz ICAXMHXTBRXHRS-UHFFFAOYSA-N 1 0 412.471 3.603 20 5 HHBDRO O=c1[nH]cnc2cc(N[C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c([N+](=O)[O-])cc21 ZINC000302200189 971206083 /nfs/dbraw/zinc/20/60/83/971206083.db2.gz YZRXEEUNCNHZCN-QXAKKESOSA-N 1 0 419.485 3.956 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1 ZINC000302635044 971267622 /nfs/dbraw/zinc/26/76/22/971267622.db2.gz KCPOVZGSFVZNFY-MRXNPFEDSA-N 1 0 417.531 3.985 20 5 HHBDRO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000302874815 971366710 /nfs/dbraw/zinc/36/67/10/971366710.db2.gz GQGQOPNMSBYWEQ-SIKLNZKXSA-N 1 0 400.475 3.960 20 5 HHBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000302881548 971370359 /nfs/dbraw/zinc/37/03/59/971370359.db2.gz JCCXOVAZPJGXPF-KRWDZBQOSA-N 1 0 420.307 3.926 20 5 HHBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000303537285 971837880 /nfs/dbraw/zinc/83/78/80/971837880.db2.gz SOTPVEVCGVKUBJ-UHFFFAOYSA-N 1 0 417.531 3.590 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303546474 971845894 /nfs/dbraw/zinc/84/58/94/971845894.db2.gz GUZACXGXQMWKKM-MOPGFXCFSA-N 1 0 402.539 3.818 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000303549774 971847635 /nfs/dbraw/zinc/84/76/35/971847635.db2.gz HCAWGIBNFMPFCH-CVEARBPZSA-N 1 0 408.930 3.773 20 5 HHBDRO COc1ccc(NC(=O)CCN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000303583841 971876333 /nfs/dbraw/zinc/87/63/33/971876333.db2.gz KWZWHAFFMLPYOS-MSOLQXFVSA-N 1 0 418.538 3.518 20 5 HHBDRO CC1CC[NH+](C[C@@H]2CCCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000303648374 971927439 /nfs/dbraw/zinc/92/74/39/971927439.db2.gz ALPCSYXMVSJCSW-INIZCTEOSA-N 1 0 408.930 3.631 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)n1 ZINC000553189758 1013149565 /nfs/dbraw/zinc/14/95/65/1013149565.db2.gz JOCSTZSLIVRSMV-OAHLLOKOSA-N 1 0 412.368 3.510 20 5 HHBDRO O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000524337253 1013159744 /nfs/dbraw/zinc/15/97/44/1013159744.db2.gz VHADLVBBUMZAOE-UHFFFAOYSA-N 1 0 400.504 3.508 20 5 HHBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000537621568 1013167899 /nfs/dbraw/zinc/16/78/99/1013167899.db2.gz YGEWTUWWOVZHCI-QHCPKHFHSA-N 1 0 420.469 3.833 20 5 HHBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000537623131 1013170348 /nfs/dbraw/zinc/17/03/48/1013170348.db2.gz XOBMHXJTFBFUMF-QFIPXVFZSA-N 1 0 414.458 3.567 20 5 HHBDRO CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000537623847 1013172879 /nfs/dbraw/zinc/17/28/79/1013172879.db2.gz QMMPFXJSUUSAOT-KDURUIRLSA-N 1 0 414.506 3.809 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000542247905 1013206910 /nfs/dbraw/zinc/20/69/10/1013206910.db2.gz MEWQRUSLPYBNOT-UHFFFAOYSA-N 1 0 412.490 3.589 20 5 HHBDRO CCC[N@H+](C)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000553243019 1013208673 /nfs/dbraw/zinc/20/86/73/1013208673.db2.gz PPHIYEBLWMDYCA-SFHVURJKSA-N 1 0 415.881 4.392 20 5 HHBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2ccccc2C[NH+](C)C)CC1 ZINC000006992915 960971898 /nfs/dbraw/zinc/97/18/98/960971898.db2.gz XRZWTKVCVVMULC-UHFFFAOYSA-N 1 0 410.518 3.823 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000542278504 1013238989 /nfs/dbraw/zinc/23/89/89/1013238989.db2.gz VEVWTOIWOFGXKF-HZPDHXFCSA-N 1 0 417.531 3.549 20 5 HHBDRO COc1cccc([C@H](CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)[NH+]2CCCC2)c1 ZINC000010092322 961741415 /nfs/dbraw/zinc/74/14/15/961741415.db2.gz GPNUHMBEMDSZKL-IBGZPJMESA-N 1 0 415.515 3.892 20 5 HHBDRO Cn1cc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537726136 1013287141 /nfs/dbraw/zinc/28/71/41/1013287141.db2.gz RWXMFOFCUSGQBL-MRXNPFEDSA-N 1 0 414.506 3.939 20 5 HHBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000015139943 962671045 /nfs/dbraw/zinc/67/10/45/962671045.db2.gz GMBJPXDHIFJIEM-UHFFFAOYSA-N 1 0 408.502 3.721 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000015690887 962839144 /nfs/dbraw/zinc/83/91/44/962839144.db2.gz CTOQTUHYYJYMIH-IBGZPJMESA-N 1 0 415.515 3.649 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553505142 1013405228 /nfs/dbraw/zinc/40/52/28/1013405228.db2.gz VSOXKXBTOANKDP-JOCHJYFZSA-N 1 0 413.905 3.915 20 5 HHBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000542530449 1013472709 /nfs/dbraw/zinc/47/27/09/1013472709.db2.gz FVVIQZIUFGZFQS-NSHDSACASA-N 1 0 413.400 3.568 20 5 HHBDRO COc1cc(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000542531822 1013475154 /nfs/dbraw/zinc/47/51/54/1013475154.db2.gz MTBXRORFNQRPCS-ZIAGYGMSSA-N 1 0 413.465 3.947 20 5 HHBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000050008749 964237443 /nfs/dbraw/zinc/23/74/43/964237443.db2.gz WIYBUYBTSYFMPB-UHFFFAOYSA-N 1 0 414.550 3.536 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133748 964472287 /nfs/dbraw/zinc/47/22/87/964472287.db2.gz UYYWZOHZFSLJDK-VGOFRKELSA-N 1 0 413.474 3.642 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000026224308 964490878 /nfs/dbraw/zinc/49/08/78/964490878.db2.gz XRLFNNBSSVNXQU-UHFFFAOYSA-N 1 0 409.389 3.665 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000026224294 964491297 /nfs/dbraw/zinc/49/12/97/964491297.db2.gz OUAQHAKWEQIMTF-UHFFFAOYSA-N 1 0 409.389 3.665 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000537918908 1013504015 /nfs/dbraw/zinc/50/40/15/1013504015.db2.gz VTODQYKWTAUVIY-MRXNPFEDSA-N 1 0 403.504 3.539 20 5 HHBDRO COc1ccc(NC(=O)[C@@H]([NH2+]CCNc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000027041401 964759417 /nfs/dbraw/zinc/75/94/17/964759417.db2.gz NNPJVCKRNHLHRB-QFIPXVFZSA-N 1 0 420.469 3.985 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)C1 ZINC000052157822 964822695 /nfs/dbraw/zinc/82/26/95/964822695.db2.gz HIJOQJWQCHQXQJ-MRXNPFEDSA-N 1 0 417.531 3.842 20 5 HHBDRO CC1CC[NH+](Cc2ccccc2CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000052216926 964843533 /nfs/dbraw/zinc/84/35/33/964843533.db2.gz LMCSIVHRIOBUFO-UHFFFAOYSA-N 1 0 417.531 3.842 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2CNc2nc3sccn3c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000052314597 964865539 /nfs/dbraw/zinc/86/55/39/964865539.db2.gz PXNWUUPHTKSFNH-ZIAGYGMSSA-N 1 0 401.492 3.525 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000537946389 1013528995 /nfs/dbraw/zinc/52/89/95/1013528995.db2.gz CWOUTJMEWXWSPO-PXAZEXFGSA-N 1 0 411.380 3.654 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000027572040 964920223 /nfs/dbraw/zinc/92/02/23/964920223.db2.gz CRFWNKYNXABJDA-IBGZPJMESA-N 1 0 415.515 3.892 20 5 HHBDRO COc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000052554547 964928707 /nfs/dbraw/zinc/92/87/07/964928707.db2.gz GNLSPFTZWPNFEB-UHFFFAOYSA-N 1 0 403.866 3.651 20 5 HHBDRO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000053038997 965046416 /nfs/dbraw/zinc/04/64/16/965046416.db2.gz KISVZHXXPCAART-UHFFFAOYSA-N 1 0 419.865 3.683 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000028840086 965197723 /nfs/dbraw/zinc/19/77/23/965197723.db2.gz KTQKHETVNORKMJ-LJQANCHMSA-N 1 0 405.882 3.826 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000029919224 965559095 /nfs/dbraw/zinc/55/90/95/965559095.db2.gz JNRLDHWHQSPVGY-KRWDZBQOSA-N 1 0 401.532 4.000 20 5 HHBDRO CC(C)COc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000542683594 1013604356 /nfs/dbraw/zinc/60/43/56/1013604356.db2.gz SVSNSSSERYGGPJ-INIZCTEOSA-N 1 0 406.504 3.754 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000031000400 965855751 /nfs/dbraw/zinc/85/57/51/965855751.db2.gz BBFIYWMLTVBNSW-IBGZPJMESA-N 1 0 405.882 3.826 20 5 HHBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000059266082 966006572 /nfs/dbraw/zinc/00/65/72/966006572.db2.gz DXYKPRNFSVXAGW-UHFFFAOYSA-N 1 0 410.518 3.967 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000055752093 966047628 /nfs/dbraw/zinc/04/76/28/966047628.db2.gz MQPYITZVBTUXSC-IBGZPJMESA-N 1 0 413.474 3.569 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000542717402 1013629630 /nfs/dbraw/zinc/62/96/30/1013629630.db2.gz YCQWXBYGWAXEIJ-UHFFFAOYSA-N 1 0 414.531 3.885 20 5 HHBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000032217039 966201618 /nfs/dbraw/zinc/20/16/18/966201618.db2.gz JYDYVOPZWLPHFU-QFIPXVFZSA-N 1 0 408.502 3.762 20 5 HHBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000032217514 966202830 /nfs/dbraw/zinc/20/28/30/966202830.db2.gz OAUBDRAWUIDSNN-QFIPXVFZSA-N 1 0 408.502 3.762 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000060569522 966210371 /nfs/dbraw/zinc/21/03/71/966210371.db2.gz OAUWWKFJVODACY-PXNSSMCTSA-N 1 0 417.531 3.749 20 5 HHBDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032441359 966253843 /nfs/dbraw/zinc/25/38/43/966253843.db2.gz VZUDPKJGOKAUKS-UHFFFAOYSA-N 1 0 411.911 3.567 20 5 HHBDRO O=c1[nH]cnc2cc(NCc3cccc(C[NH+]4CCCCCC4)c3)c([N+](=O)[O-])cc21 ZINC000060862892 966313469 /nfs/dbraw/zinc/31/34/69/966313469.db2.gz APCTUHBQCAXNEN-UHFFFAOYSA-N 1 0 407.474 3.819 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000060920628 966327194 /nfs/dbraw/zinc/32/71/94/966327194.db2.gz JVWKVFGSUVJVSZ-UHFFFAOYSA-N 1 0 417.531 3.758 20 5 HHBDRO CCOc1cc(C[NH2+]C2CCCCC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000061002732 966347809 /nfs/dbraw/zinc/34/78/09/966347809.db2.gz OPGYWEIEMWIQLR-UHFFFAOYSA-N 1 0 402.495 4.000 20 5 HHBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000061596604 966510526 /nfs/dbraw/zinc/51/05/26/966510526.db2.gz RJMVDBPZZURUCA-UHFFFAOYSA-N 1 0 400.504 3.503 20 5 HHBDRO Cc1c(NC(=O)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000062046540 966606670 /nfs/dbraw/zinc/60/66/70/966606670.db2.gz IJQCSHGVONCXSM-MRXNPFEDSA-N 1 0 424.501 3.533 20 5 HHBDRO COc1cccc([C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[NH+]2CCCC2)c1 ZINC000041816294 966642223 /nfs/dbraw/zinc/64/22/23/966642223.db2.gz VIQAVAKQMWWXRD-NRFANRHFSA-N 1 0 408.458 3.652 20 5 HHBDRO O=[N+]([O-])c1cc(COc2ccc(OCC[NH+]3CCCCC3)cc2)c2c(c1)COCO2 ZINC000063457399 966864169 /nfs/dbraw/zinc/86/41/69/966864169.db2.gz ANAPLFIRYUNARD-UHFFFAOYSA-N 1 0 414.458 3.905 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000063710463 966934619 /nfs/dbraw/zinc/93/46/19/966934619.db2.gz AMZRMPKMPXKUKN-CEXWTWQISA-N 1 0 416.566 3.927 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000064419428 967179614 /nfs/dbraw/zinc/17/96/14/967179614.db2.gz CFAWSLIYLPQDRE-OAHLLOKOSA-N 1 0 417.893 3.796 20 5 HHBDRO COc1ccc(CC[N@H+](Cc2ccccc2)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000064807357 967296961 /nfs/dbraw/zinc/29/69/61/967296961.db2.gz GFBWGAZQUMPXBC-UHFFFAOYSA-N 1 0 419.481 3.947 20 5 HHBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000065057156 967359471 /nfs/dbraw/zinc/35/94/71/967359471.db2.gz NNVQBRMRZQMHQB-UHFFFAOYSA-N 1 0 421.501 3.766 20 5 HHBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000065101939 967376525 /nfs/dbraw/zinc/37/65/25/967376525.db2.gz XXBUEDCBIRALNZ-OAHLLOKOSA-N 1 0 402.520 3.960 20 5 HHBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065118380 967384801 /nfs/dbraw/zinc/38/48/01/967384801.db2.gz KVBGHNDATFAYKA-QLFBSQMISA-N 1 0 402.520 3.815 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000538164147 1013725589 /nfs/dbraw/zinc/72/55/89/1013725589.db2.gz VUCCWBYFQZLHPE-CYBMUJFWSA-N 1 0 411.380 3.850 20 5 HHBDRO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065535037 967510548 /nfs/dbraw/zinc/51/05/48/967510548.db2.gz LJZOKOIMUDBLKN-UHFFFAOYSA-N 1 0 419.865 3.683 20 5 HHBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(-c2cccnc2)cc1 ZINC000538224178 1013773675 /nfs/dbraw/zinc/77/36/75/1013773675.db2.gz PFLXDIJHNIOSQY-INIZCTEOSA-N 1 0 402.454 3.897 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000047609129 968257076 /nfs/dbraw/zinc/25/70/76/968257076.db2.gz LURDREIJFVBUCQ-GJZGRUSLSA-N 1 0 401.463 3.988 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccsc1 ZINC000047865616 968347074 /nfs/dbraw/zinc/34/70/74/968347074.db2.gz YTIWZNORKKIEIP-CYBMUJFWSA-N 1 0 400.407 3.682 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000538252476 1013795624 /nfs/dbraw/zinc/79/56/24/1013795624.db2.gz CBBRVRWEGZQJIK-UHFFFAOYSA-N 1 0 421.563 3.860 20 5 HHBDRO C[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000048220689 968490034 /nfs/dbraw/zinc/49/00/34/968490034.db2.gz JXQDBBAVTABITJ-STQMWFEESA-N 1 0 403.401 3.529 20 5 HHBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000048237210 968496674 /nfs/dbraw/zinc/49/66/74/968496674.db2.gz WWOJNXQLOWAKPM-CQSZACIVSA-N 1 0 417.428 3.778 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065722405 968613237 /nfs/dbraw/zinc/61/32/37/968613237.db2.gz BNIQYBLOVOVUOT-UHFFFAOYSA-N 1 0 410.474 3.909 20 5 HHBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554132836 1013813676 /nfs/dbraw/zinc/81/36/76/1013813676.db2.gz WGTMAHUCGKLALU-BSRJHKFKSA-N 1 0 423.513 3.976 20 5 HHBDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000538277668 1013816523 /nfs/dbraw/zinc/81/65/23/1013816523.db2.gz WSZYICAMTPWKBY-OAHLLOKOSA-N 1 0 407.474 3.995 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000065843999 968678533 /nfs/dbraw/zinc/67/85/33/968678533.db2.gz JFKCOJILIKBFAB-OAQYLSRUSA-N 1 0 408.502 3.619 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000065957239 968737066 /nfs/dbraw/zinc/73/70/66/968737066.db2.gz LRUKFAIEOHJOEW-UHFFFAOYSA-N 1 0 412.490 3.533 20 5 HHBDRO CC1CC[NH+]([C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c2cccs2)CC1 ZINC000071862603 968875425 /nfs/dbraw/zinc/87/54/25/968875425.db2.gz PAKPJSBVNGDFTO-KRWDZBQOSA-N 1 0 413.503 3.736 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000078777401 969018796 /nfs/dbraw/zinc/01/87/96/969018796.db2.gz SNYULJBRKSFFDX-UHFFFAOYSA-N 1 0 406.442 3.675 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000097548860 969157967 /nfs/dbraw/zinc/15/79/67/969157967.db2.gz SBFUNVNVVYPJGN-OAHLLOKOSA-N 1 0 407.492 3.731 20 5 HHBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000105876884 969270039 /nfs/dbraw/zinc/27/00/39/969270039.db2.gz NBBYPDSPCCTTEZ-UHFFFAOYSA-N 1 0 414.428 3.502 20 5 HHBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])cc2)CC1 ZINC000107592505 969318677 /nfs/dbraw/zinc/31/86/77/969318677.db2.gz UHONCNWINWREFE-UHFFFAOYSA-N 1 0 414.531 3.707 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000108284900 969370556 /nfs/dbraw/zinc/37/05/56/969370556.db2.gz JYYFFOHWIUBZRT-HNNXBMFYSA-N 1 0 411.458 3.993 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000110339768 969656265 /nfs/dbraw/zinc/65/62/65/969656265.db2.gz JYGWTCQICQDJKO-MJGOQNOKSA-N 1 0 423.517 3.863 20 5 HHBDRO CC[N@H+](CCNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)C(C)C ZINC000110423397 969666041 /nfs/dbraw/zinc/66/60/41/969666041.db2.gz QMJYFDIYKGCIKA-UHFFFAOYSA-N 1 0 408.549 3.971 20 5 HHBDRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1OC ZINC000554292622 1013896879 /nfs/dbraw/zinc/89/68/79/1013896879.db2.gz CUZDJCHWQJOEHR-HNNXBMFYSA-N 1 0 401.463 3.908 20 5 HHBDRO Cc1c(NC(=O)CC[N@H+](C[C@@H](O)c2ccc(F)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000112656784 969821818 /nfs/dbraw/zinc/82/18/18/969821818.db2.gz UWHMFWORFQYPGD-HXUWFJFHSA-N 1 0 401.438 3.569 20 5 HHBDRO CC1CC[NH+](Cc2cccc(CNC(=O)CCNc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000116535315 969902704 /nfs/dbraw/zinc/90/27/04/969902704.db2.gz PNXBXDBFJJXLBL-UHFFFAOYSA-N 1 0 410.518 3.945 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000116594946 969908012 /nfs/dbraw/zinc/90/80/12/969908012.db2.gz NPCMHOCWPDHVQP-FQEVSTJZSA-N 1 0 412.490 3.663 20 5 HHBDRO C[NH+](C)C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1 ZINC000554408646 1013937149 /nfs/dbraw/zinc/93/71/49/1013937149.db2.gz GPMUPNKRCJAQFQ-OAHLLOKOSA-N 1 0 412.368 3.760 20 5 HHBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000215801549 970054031 /nfs/dbraw/zinc/05/40/31/970054031.db2.gz NKGHVQLOMYIAHG-QGZVFWFLSA-N 1 0 410.499 3.621 20 5 HHBDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Br ZINC000216016727 970060462 /nfs/dbraw/zinc/06/04/62/970060462.db2.gz PNOHPFNKDQFVST-LBPRGKRZSA-N 1 0 422.279 3.964 20 5 HHBDRO C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000140190600 970066715 /nfs/dbraw/zinc/06/67/15/970066715.db2.gz CCVGPWLMUWLCGC-OAHLLOKOSA-N 1 0 417.893 3.913 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+]CC2(c3ccc(F)cc3)CCOCC2)cccc1[N+](=O)[O-] ZINC000140270737 970071001 /nfs/dbraw/zinc/07/10/01/970071001.db2.gz NYSVWCYTLPDNFF-INIZCTEOSA-N 1 0 415.465 3.707 20 5 HHBDRO COc1ccc2[nH]cc(C3CC[NH+](Cc4ccc(C(N)=O)cc4[N+](=O)[O-])CC3)c2c1 ZINC000142114160 970141758 /nfs/dbraw/zinc/14/17/58/970141758.db2.gz PSGPBERWMXLDOX-UHFFFAOYSA-N 1 0 408.458 3.563 20 5 HHBDRO O=C(CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)NC1CC1 ZINC000236568060 970141973 /nfs/dbraw/zinc/14/19/73/970141973.db2.gz FIYYBWWBOCXCSZ-UHFFFAOYSA-N 1 0 422.279 3.766 20 5 HHBDRO CC(C)c1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000236659327 970151954 /nfs/dbraw/zinc/15/19/54/970151954.db2.gz QBSUWPJAVYTOOH-OAHLLOKOSA-N 1 0 405.520 3.819 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C1 ZINC000236867111 970182202 /nfs/dbraw/zinc/18/22/02/970182202.db2.gz ICTPSXCFDMMLRL-JXFKEZNVSA-N 1 0 418.563 3.945 20 5 HHBDRO C[NH+](C)CCOc1ccccc1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237192857 970239072 /nfs/dbraw/zinc/23/90/72/970239072.db2.gz ZDNFLFJZROROGK-UHFFFAOYSA-N 1 0 412.515 3.949 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237192655 970239089 /nfs/dbraw/zinc/23/90/89/970239089.db2.gz YNHGUIFPGQFWFN-YADHBBJMSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1cc(C[NH2+]CCc2c(C)nn(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237191560 970239168 /nfs/dbraw/zinc/23/91/68/970239168.db2.gz ZCPNWUXPVLSBRJ-UHFFFAOYSA-N 1 0 424.501 3.865 20 5 HHBDRO COc1ccc(C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000237209203 970242462 /nfs/dbraw/zinc/24/24/62/970242462.db2.gz DKLSTCFKLADSAL-UHFFFAOYSA-N 1 0 411.252 3.673 20 5 HHBDRO COc1ccc(C[NH2+]Cc2cccc(C(N)=O)c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237239046 970247068 /nfs/dbraw/zinc/24/70/68/970247068.db2.gz ORVNDFCKRCMUND-UHFFFAOYSA-N 1 0 421.453 3.571 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000237298526 970258431 /nfs/dbraw/zinc/25/84/31/970258431.db2.gz JYLPUQORSVZHRZ-LPHOPBHVSA-N 1 0 400.479 3.722 20 5 HHBDRO COc1cc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237337941 970266339 /nfs/dbraw/zinc/26/63/39/970266339.db2.gz FVRUSCCJXPFRGP-GOOCMWNKSA-N 1 0 417.428 3.649 20 5 HHBDRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000237339014 970266525 /nfs/dbraw/zinc/26/65/25/970266525.db2.gz PWHHPSRKGDZAQT-MRXNPFEDSA-N 1 0 412.490 3.711 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]CCC(=O)NCc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000237425606 970283092 /nfs/dbraw/zinc/28/30/92/970283092.db2.gz XMQJMVFGIWUWMA-UHFFFAOYSA-N 1 0 409.442 3.660 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]CCC(=O)N3CCCCCC3)o2)c([N+](=O)[O-])c1 ZINC000237425474 970283399 /nfs/dbraw/zinc/28/33/99/970283399.db2.gz YALOVFPWQUXQQJ-UHFFFAOYSA-N 1 0 401.463 3.746 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCc2nnc3n2CCC3)cc1 ZINC000237731837 970349404 /nfs/dbraw/zinc/34/94/04/970349404.db2.gz LJZLEIHSGHKDGK-UHFFFAOYSA-N 1 0 413.865 3.911 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)s1 ZINC000237959877 970405451 /nfs/dbraw/zinc/40/54/51/970405451.db2.gz RMABMMKSPYJJJO-HXUWFJFHSA-N 1 0 419.572 3.621 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)CN3CCc4ccccc4C3)s2)cc1 ZINC000237964408 970406536 /nfs/dbraw/zinc/40/65/36/970406536.db2.gz VNNVEVGALKCGDD-OAQYLSRUSA-N 1 0 423.538 3.832 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)s1 ZINC000237967686 970407552 /nfs/dbraw/zinc/40/75/52/970407552.db2.gz GEOIPHJFLKWRHE-LJQANCHMSA-N 1 0 423.538 3.832 20 5 HHBDRO O=C(NCCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccs1 ZINC000238058246 970429851 /nfs/dbraw/zinc/42/98/51/970429851.db2.gz PWIQWTZFPWVTHR-UHFFFAOYSA-N 1 0 402.501 3.690 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000150204984 970433883 /nfs/dbraw/zinc/43/38/83/970433883.db2.gz IJEBZJIMYYOXAE-INIZCTEOSA-N 1 0 408.462 3.506 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000195533881 970496381 /nfs/dbraw/zinc/49/63/81/970496381.db2.gz GPRZBUOZUQTYFA-GOSISDBHSA-N 1 0 401.532 4.000 20 5 HHBDRO O=C(c1cc(NC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301109392 970753415 /nfs/dbraw/zinc/75/34/15/970753415.db2.gz NPDLDGRAEQZFIC-UHFFFAOYSA-N 1 0 408.502 3.907 20 5 HHBDRO CC(C)(C)[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301118789 970757275 /nfs/dbraw/zinc/75/72/75/970757275.db2.gz ZFCNLRXPUUAVMC-UHFFFAOYSA-N 1 0 409.430 3.563 20 5 HHBDRO C[C@@H](N[C@@H]1CCOc2c(Br)cccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000409876228 973342417 /nfs/dbraw/zinc/34/24/17/973342417.db2.gz PGWNTKQIZRRHRR-BDJLRTHQSA-N 1 0 420.263 3.798 20 5 HHBDRO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000410050089 973534014 /nfs/dbraw/zinc/53/40/14/973534014.db2.gz RXJDORHUFODYHB-HNNXBMFYSA-N 1 0 418.444 3.580 20 5 HHBDRO Cc1ccc(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000410370737 973966624 /nfs/dbraw/zinc/96/66/24/973966624.db2.gz YJHKNPSABHHIHG-IRXDYDNUSA-N 1 0 412.490 3.834 20 5 HHBDRO COc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(OCc2cccnc2)c1 ZINC000425993132 974105627 /nfs/dbraw/zinc/10/56/27/974105627.db2.gz AUYUXEOYJMMLOI-UHFFFAOYSA-N 1 0 423.473 3.611 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(F)cc1 ZINC000426028905 974151260 /nfs/dbraw/zinc/15/12/60/974151260.db2.gz NKLSWSUZEDNFAL-HXUWFJFHSA-N 1 0 400.454 3.711 20 5 HHBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000426078801 974202367 /nfs/dbraw/zinc/20/23/67/974202367.db2.gz KFNCDJPYCNUSPG-UHFFFAOYSA-N 1 0 414.428 3.820 20 5 HHBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000426270220 974360253 /nfs/dbraw/zinc/36/02/53/974360253.db2.gz WBOKYQMZIATBGF-UHFFFAOYSA-N 1 0 414.428 3.774 20 5 HHBDRO CC[N@H+](CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)CCC(F)(F)F ZINC000427212793 974981834 /nfs/dbraw/zinc/98/18/34/974981834.db2.gz RJJPRBCIYIHULP-UHFFFAOYSA-N 1 0 416.425 3.722 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000427297942 975034431 /nfs/dbraw/zinc/03/44/31/975034431.db2.gz YABKMGLROYSUJQ-HOTGVXAUSA-N 1 0 421.563 3.668 20 5 HHBDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)C[C@H](C)O1 ZINC000427319348 975049613 /nfs/dbraw/zinc/04/96/13/975049613.db2.gz FXEUKYVKNGSQCN-HOTGVXAUSA-N 1 0 415.490 3.693 20 5 HHBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000427628375 975215639 /nfs/dbraw/zinc/21/56/39/975215639.db2.gz HNWLSPVRJXRZEW-UHFFFAOYSA-N 1 0 424.482 3.662 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000428487331 975786185 /nfs/dbraw/zinc/78/61/85/975786185.db2.gz SMWRTMFKJATAGW-INIZCTEOSA-N 1 0 403.504 3.636 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000428533122 975829717 /nfs/dbraw/zinc/82/97/17/975829717.db2.gz CJZWEGWTAYFYHA-CQSZACIVSA-N 1 0 423.307 3.697 20 5 HHBDRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000428703163 975993917 /nfs/dbraw/zinc/99/39/17/975993917.db2.gz VCBKAZGFGZQEQF-KRWDZBQOSA-N 1 0 418.881 3.661 20 5 HHBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000428792424 976068789 /nfs/dbraw/zinc/06/87/89/976068789.db2.gz WHPDIJNBGZKVAM-JOCHJYFZSA-N 1 0 407.426 3.567 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429126719 976411547 /nfs/dbraw/zinc/41/15/47/976411547.db2.gz IGIQHVWHHKUNGL-DOTOQJQBSA-N 1 0 408.907 3.855 20 5 HHBDRO Cc1noc(C[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000429470939 976738550 /nfs/dbraw/zinc/73/85/50/976738550.db2.gz OARKHVUTNHSLQN-AUUYWEPGSA-N 1 0 409.446 3.577 20 5 HHBDRO COc1cccc([C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000429830571 977099827 /nfs/dbraw/zinc/09/98/27/977099827.db2.gz JVIRAQNFDXNJMC-NRFANRHFSA-N 1 0 411.502 3.834 20 5 HHBDRO COc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C2CCC(O)CC2)c1 ZINC000430212512 977395659 /nfs/dbraw/zinc/39/56/59/977395659.db2.gz NUIHWQJDPUQDOC-UHFFFAOYSA-N 1 0 400.475 3.918 20 5 HHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430292348 977452352 /nfs/dbraw/zinc/45/23/52/977452352.db2.gz ISSVMULUSVJYIQ-RDJZCZTQSA-N 1 0 421.457 3.691 20 5 HHBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430551005 977627171 /nfs/dbraw/zinc/62/71/71/977627171.db2.gz HJTZPMHYKQADLN-UHFFFAOYSA-N 1 0 415.515 3.778 20 5 HHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000430827383 977782507 /nfs/dbraw/zinc/78/25/07/977782507.db2.gz ZSVPAOYSRQZDCI-GUYCJALGSA-N 1 0 412.328 3.988 20 5 HHBDRO CCOc1cc(C(=O)N[C@@H]2CCCC[C@H]2C[NH+](CC)CC)c([N+](=O)[O-])cc1OC ZINC000430839762 977792637 /nfs/dbraw/zinc/79/26/37/977792637.db2.gz PSXBZYMPYDRAIQ-DOTOQJQBSA-N 1 0 407.511 3.633 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1SC ZINC000430904944 977872145 /nfs/dbraw/zinc/87/21/45/977872145.db2.gz WFEVTIGWGHZNSL-UHFFFAOYSA-N 1 0 409.552 3.813 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000431050658 977980484 /nfs/dbraw/zinc/98/04/84/977980484.db2.gz VHIKGTMKZXJXBJ-NQIIRXRSSA-N 1 0 410.518 3.956 20 5 HHBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431166392 978066904 /nfs/dbraw/zinc/06/69/04/978066904.db2.gz IYTMUEFFGPKBPU-MRXNPFEDSA-N 1 0 418.291 3.752 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431472428 978319539 /nfs/dbraw/zinc/31/95/39/978319539.db2.gz PZKAHJJMAJBSGK-CXAGYDPISA-N 1 0 418.291 3.923 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccco1 ZINC000431814756 978533141 /nfs/dbraw/zinc/53/31/41/978533141.db2.gz UCKDLRQFUJRWCY-HNNXBMFYSA-N 1 0 410.268 3.763 20 5 HHBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000431920702 978602088 /nfs/dbraw/zinc/60/20/88/978602088.db2.gz FNQUBOIAFPBCHG-GOEBONIOSA-N 1 0 423.922 3.580 20 5 HHBDRO Cc1cc(OCC(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000432111052 978682541 /nfs/dbraw/zinc/68/25/41/978682541.db2.gz YEGWITAKEZFTCJ-INIZCTEOSA-N 1 0 413.474 3.641 20 5 HHBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000432145712 978692643 /nfs/dbraw/zinc/69/26/43/978692643.db2.gz VTEOIPJFPDTIEU-CQSZACIVSA-N 1 0 407.902 3.717 20 5 HHBDRO O=[N+]([O-])c1cccc2c(N3CCN([C@H]4CC[N@H+](Cc5ccccc5)C4)CC3)ccnc21 ZINC000432147428 978693460 /nfs/dbraw/zinc/69/34/60/978693460.db2.gz GQODHXMKNHMQJS-FQEVSTJZSA-N 1 0 417.513 3.540 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccnc4c3cccc4[N+](=O)[O-])C2)cc(OC)c1 ZINC000432337525 978766901 /nfs/dbraw/zinc/76/69/01/978766901.db2.gz RORXJEXJEWTAAJ-INIZCTEOSA-N 1 0 408.458 3.847 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000433158267 979106100 /nfs/dbraw/zinc/10/61/00/979106100.db2.gz AEVRPVXSQWGWLA-UHFFFAOYSA-N 1 0 404.492 3.577 20 5 HHBDRO COc1ccccc1-c1noc(C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000433160331 979108009 /nfs/dbraw/zinc/10/80/09/979108009.db2.gz GSZXPIUWNXTAPK-UHFFFAOYSA-N 1 0 424.457 3.912 20 5 HHBDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433166446 979111370 /nfs/dbraw/zinc/11/13/70/979111370.db2.gz XNOGTQKOFMCVJF-BFUOFWGJSA-N 1 0 403.504 3.576 20 5 HHBDRO CC1(C)C[C@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433212412 979146268 /nfs/dbraw/zinc/14/62/68/979146268.db2.gz IJDQKOXEHWYTLV-SFHVURJKSA-N 1 0 414.506 3.552 20 5 HHBDRO CC1(C)C[C@H](Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433236101 979167953 /nfs/dbraw/zinc/16/79/53/979167953.db2.gz XARYVNHAXDIVBQ-LEWJYISDSA-N 1 0 408.502 3.879 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccn1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000433427987 979297617 /nfs/dbraw/zinc/29/76/17/979297617.db2.gz RGYZRGMXXUSKDS-UHFFFAOYSA-N 1 0 404.470 3.789 20 5 HHBDRO CC(C)C[C@@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000433920519 979681298 /nfs/dbraw/zinc/68/12/98/979681298.db2.gz FNHIJOSQFZAFQM-WBVHZDCISA-N 1 0 401.511 3.937 20 5 HHBDRO CCOc1ccc(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000434152330 979913190 /nfs/dbraw/zinc/91/31/90/979913190.db2.gz IYMFRUOIMLLTEB-UHFFFAOYSA-N 1 0 413.474 3.745 20 5 HHBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000434323600 980087491 /nfs/dbraw/zinc/08/74/91/980087491.db2.gz KOXSBMVBCDGCGY-FQEVSTJZSA-N 1 0 419.485 3.728 20 5 HHBDRO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434641195 980313215 /nfs/dbraw/zinc/31/32/15/980313215.db2.gz RPBFMXURFMZVCI-UHFFFAOYSA-N 1 0 403.866 3.999 20 5 HHBDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000434988365 980552777 /nfs/dbraw/zinc/55/27/77/980552777.db2.gz RKMQFKVSHVIVSS-QGZVFWFLSA-N 1 0 401.438 3.874 20 5 HHBDRO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)C2)CN1 ZINC000435052126 980597478 /nfs/dbraw/zinc/59/74/78/980597478.db2.gz GPYNIYWTBTZPLE-FQEVSTJZSA-N 1 0 401.850 3.753 20 5 HHBDRO C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[N@@H+]1CCCC[C@H]1C ZINC000436098545 981199201 /nfs/dbraw/zinc/19/92/01/981199201.db2.gz KEFBLHNIPRIWIT-KGLIPLIRSA-N 1 0 413.468 3.952 20 5 HHBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436125814 981210502 /nfs/dbraw/zinc/21/05/02/981210502.db2.gz DDAJPPFCSABVRB-OWCLPIDISA-N 1 0 409.505 3.917 20 5 HHBDRO CCOc1cc(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c([N+](=O)[O-])cc1OCC ZINC000448371720 981730268 /nfs/dbraw/zinc/73/02/68/981730268.db2.gz FLOACKUZSUPFFS-INIZCTEOSA-N 1 0 422.526 3.882 20 5 HHBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448444714 981783019 /nfs/dbraw/zinc/78/30/19/981783019.db2.gz CGUGVDMRCPFFJQ-GCJKJVERSA-N 1 0 415.537 3.630 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000460349857 982122442 /nfs/dbraw/zinc/12/24/42/982122442.db2.gz HYDUSCXFDUEAOH-YPGOJHLTSA-N 1 0 421.501 3.891 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](CC[C@@H]3CCOC3)CC2)s1 ZINC000437592077 982216452 /nfs/dbraw/zinc/21/64/52/982216452.db2.gz QBDGFERXJJBZOY-QGZVFWFLSA-N 1 0 401.532 3.868 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437845491 982402359 /nfs/dbraw/zinc/40/23/59/982402359.db2.gz WMLPNLDREFELNI-KRWDZBQOSA-N 1 0 424.339 3.813 20 5 HHBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000437851688 982409457 /nfs/dbraw/zinc/40/94/57/982409457.db2.gz PBQZSZLCPYIILZ-OAHLLOKOSA-N 1 0 410.312 3.884 20 5 HHBDRO CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460862832 982606700 /nfs/dbraw/zinc/60/67/00/982606700.db2.gz VKWQHPNEMKDRDX-LJQANCHMSA-N 1 0 412.538 3.964 20 5 HHBDRO CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460913069 982649277 /nfs/dbraw/zinc/64/92/77/982649277.db2.gz XYGSLDBGIVHKND-UHFFFAOYSA-N 1 0 412.538 3.964 20 5 HHBDRO COc1cc(C[NH2+]C[C@@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000438382901 982756601 /nfs/dbraw/zinc/75/66/01/982756601.db2.gz QFBCMLALWJCTAS-GOSISDBHSA-N 1 0 420.428 3.965 20 5 HHBDRO CCC[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000461082624 982778515 /nfs/dbraw/zinc/77/85/15/982778515.db2.gz ITHGXAWNPRAUCD-FQEVSTJZSA-N 1 0 403.504 3.766 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000438455845 982808422 /nfs/dbraw/zinc/80/84/22/982808422.db2.gz OOWUBXRGCDCZGV-ICSRJNTNSA-N 1 0 410.518 3.827 20 5 HHBDRO CC(C)C1CCC([NH+]2CCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000438560121 982902005 /nfs/dbraw/zinc/90/20/05/982902005.db2.gz DLHBHBXNKGCANP-LMDPOFIKSA-N 1 0 402.539 3.754 20 5 HHBDRO CC[NH+]1CCC(CCNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000461219749 982931213 /nfs/dbraw/zinc/93/12/13/982931213.db2.gz SHHQYSYPMDAPHM-KRWDZBQOSA-N 1 0 402.539 3.683 20 5 HHBDRO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000461441329 983105390 /nfs/dbraw/zinc/10/53/90/983105390.db2.gz GAFCNTLNAATHSY-QXAKKESOSA-N 1 0 411.477 3.818 20 5 HHBDRO CSc1cccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000461447099 983111965 /nfs/dbraw/zinc/11/19/65/983111965.db2.gz KUAJAESSFSJYKL-QZTJIDSGSA-N 1 0 411.527 3.911 20 5 HHBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448801 983114009 /nfs/dbraw/zinc/11/40/09/983114009.db2.gz LQGWJYXCUUWHBP-UYAOXDASSA-N 1 0 418.497 3.599 20 5 HHBDRO Cc1c(CC(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cccc1[N+](=O)[O-] ZINC000438907104 983146931 /nfs/dbraw/zinc/14/69/31/983146931.db2.gz KKAVQXKSEGOBKO-UHFFFAOYSA-N 1 0 424.501 3.899 20 5 HHBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000438993629 983199815 /nfs/dbraw/zinc/19/98/15/983199815.db2.gz CDSAPSKXRPUDRI-WLKXKRCBSA-N 1 0 403.523 3.883 20 5 HHBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000439013908 983210254 /nfs/dbraw/zinc/21/02/54/983210254.db2.gz YTSIZZXJGSAGKA-OAOYMFHYSA-N 1 0 400.479 3.796 20 5 HHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000439139024 983269134 /nfs/dbraw/zinc/26/91/34/983269134.db2.gz LAJYRZLBLHCDKL-UHFFFAOYSA-N 1 0 401.894 3.994 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000439734000 983519073 /nfs/dbraw/zinc/51/90/73/983519073.db2.gz PEOZYMVFVGYFEW-ZDUSSCGKSA-N 1 0 422.407 3.964 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000439935065 983587452 /nfs/dbraw/zinc/58/74/52/983587452.db2.gz TZKMVVUKFQAVJQ-UHFFFAOYSA-N 1 0 422.432 3.867 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000440305047 983712900 /nfs/dbraw/zinc/71/29/00/983712900.db2.gz NYLMBHAKOIJTBT-UHFFFAOYSA-N 1 0 403.866 3.791 20 5 HHBDRO O=C(c1ccc([N+](=O)[O-])o1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000440429435 983754218 /nfs/dbraw/zinc/75/42/18/983754218.db2.gz RYPCVVLMXPVSCI-OAHLLOKOSA-N 1 0 411.380 3.714 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000441070000 984054345 /nfs/dbraw/zinc/05/43/45/984054345.db2.gz SVHABRCFQMPATE-UHFFFAOYSA-N 1 0 405.882 3.770 20 5 HHBDRO COc1ccc(OCC[NH+]2CCC(Oc3ccc(F)cc3F)CC2)c([N+](=O)[O-])c1 ZINC000441185460 984105584 /nfs/dbraw/zinc/10/55/84/984105584.db2.gz APEROSQNAFTNBJ-UHFFFAOYSA-N 1 0 408.401 3.804 20 5 HHBDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441384342 984222957 /nfs/dbraw/zinc/22/29/57/984222957.db2.gz NQQCDILROAXZBB-DYESRHJHSA-N 1 0 407.474 3.766 20 5 HHBDRO Cc1cc(Sc2nnc(C3CC[NH2+]CC3)n2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461945773 984945071 /nfs/dbraw/zinc/94/50/71/984945071.db2.gz LXMPLICDIHLZCV-UHFFFAOYSA-N 1 0 401.414 3.669 20 5 HHBDRO Cc1cc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461956388 984949985 /nfs/dbraw/zinc/94/99/85/984949985.db2.gz NCQROJHOTQHKMY-OAHLLOKOSA-N 1 0 400.445 3.528 20 5 HHBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000462311768 985298861 /nfs/dbraw/zinc/29/88/61/985298861.db2.gz GGJQWDUJLQOVGB-BEFAXECRSA-N 1 0 423.560 3.580 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000462457441 985419406 /nfs/dbraw/zinc/41/94/06/985419406.db2.gz ZTIUKXKRBYNJLG-INIZCTEOSA-N 1 0 402.520 3.672 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000462557563 985505528 /nfs/dbraw/zinc/50/55/28/985505528.db2.gz VJRSRTBUBPTJJN-HIFRSBDPSA-N 1 0 404.385 3.592 20 5 HHBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1CCOc1ccccc1 ZINC000462727293 985674434 /nfs/dbraw/zinc/67/44/34/985674434.db2.gz CNCFCMVTZBLYMC-KRWDZBQOSA-N 1 0 421.453 3.624 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000462835575 985757889 /nfs/dbraw/zinc/75/78/89/985757889.db2.gz BHUPIVNFPOJHDO-INIZCTEOSA-N 1 0 420.510 3.626 20 5 HHBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2ccc(C3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000462908316 985840091 /nfs/dbraw/zinc/84/00/91/985840091.db2.gz XOONWTAHYOJXLJ-UHFFFAOYSA-N 1 0 417.531 3.621 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443649445 985844560 /nfs/dbraw/zinc/84/45/60/985844560.db2.gz HOCXORWUEWULNO-OAHLLOKOSA-N 1 0 419.865 3.739 20 5 HHBDRO O=C(C[C@H]1CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000468265185 985967464 /nfs/dbraw/zinc/96/74/64/985967464.db2.gz CWBZRKUYRNDPLA-CQSZACIVSA-N 1 0 415.471 3.692 20 5 HHBDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000443952131 986159832 /nfs/dbraw/zinc/15/98/32/986159832.db2.gz YNDOYCBKQUCGOB-UHFFFAOYSA-N 1 0 412.490 3.960 20 5 HHBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000468471930 986165476 /nfs/dbraw/zinc/16/54/76/986165476.db2.gz YUSWYIADRSXWOY-AFCDSYGPSA-N 1 0 404.264 3.529 20 5 HHBDRO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c([N+](=O)[O-])c1 ZINC000463203142 986174558 /nfs/dbraw/zinc/17/45/58/986174558.db2.gz JUXALAOTDSWJSO-UKHYVGRKSA-N 1 0 419.522 3.584 20 5 HHBDRO O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCC[NH+]1CCC1 ZINC000443968931 986176148 /nfs/dbraw/zinc/17/61/48/986176148.db2.gz DVRLIABEGJZDFF-VKAVYKQESA-N 1 0 422.510 3.957 20 5 HHBDRO O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000444007461 986204187 /nfs/dbraw/zinc/20/41/87/986204187.db2.gz DWKAHMPVWSDBKE-MRXNPFEDSA-N 1 0 411.452 3.660 20 5 HHBDRO CCOc1cc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000444038754 986236481 /nfs/dbraw/zinc/23/64/81/986236481.db2.gz QMZYDSALAWSQBU-CABCVRRESA-N 1 0 408.499 3.729 20 5 HHBDRO O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000444081679 986283241 /nfs/dbraw/zinc/28/32/41/986283241.db2.gz LGLZIHUVSHUSNB-CQSZACIVSA-N 1 0 411.452 3.517 20 5 HHBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000444124868 986320684 /nfs/dbraw/zinc/32/06/84/986320684.db2.gz IDMHJVBWTPOCAJ-AWEZNQCLSA-N 1 0 413.468 3.763 20 5 HHBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444152633 986335590 /nfs/dbraw/zinc/33/55/90/986335590.db2.gz OBRFYOWKCOWKNS-INIZCTEOSA-N 1 0 407.489 3.815 20 5 HHBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000463369707 986335572 /nfs/dbraw/zinc/33/55/72/986335572.db2.gz SCCWJTBMEHXQFA-UHFFFAOYSA-N 1 0 407.392 3.962 20 5 HHBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444221375 986407546 /nfs/dbraw/zinc/40/75/46/986407546.db2.gz DFBIHLZVURVLOI-CQSZACIVSA-N 1 0 413.468 3.667 20 5 HHBDRO C[C@@H]1C[C@H](CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000468715076 986429852 /nfs/dbraw/zinc/42/98/52/986429852.db2.gz NAIIKFCOHSTRLS-AEFFLSMTSA-N 1 0 417.531 3.711 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000468749653 986463092 /nfs/dbraw/zinc/46/30/92/986463092.db2.gz OKECDLVNJORQQK-PGNDWZGLSA-N 1 0 408.502 3.808 20 5 HHBDRO CC(C)CCSc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000444382475 986557857 /nfs/dbraw/zinc/55/78/57/986557857.db2.gz GELGWTMJJWZVPN-MRXNPFEDSA-N 1 0 423.579 3.650 20 5 HHBDRO COc1ccc(Cn2nc(C)c(C[NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)c2C)cc1 ZINC000463740449 986727812 /nfs/dbraw/zinc/72/78/12/986727812.db2.gz TYDZDTJOAOTWEX-UHFFFAOYSA-N 1 0 410.474 3.763 20 5 HHBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444605063 986792196 /nfs/dbraw/zinc/79/21/96/986792196.db2.gz BIQJUEBSYFASJH-UHFFFAOYSA-N 1 0 413.468 3.811 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)nc2c1 ZINC000444637834 986824508 /nfs/dbraw/zinc/82/45/08/986824508.db2.gz HEZFKMKMXPWUJT-PGRDOPGGSA-N 1 0 405.502 3.958 20 5 HHBDRO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000444773532 986932163 /nfs/dbraw/zinc/93/21/63/986932163.db2.gz DVESDYNIZZXALJ-OAQYLSRUSA-N 1 0 401.463 3.990 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000444934795 987078940 /nfs/dbraw/zinc/07/89/40/987078940.db2.gz YIFGEMBJDALESJ-UHFFFAOYSA-N 1 0 404.511 3.568 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469766668 987419352 /nfs/dbraw/zinc/41/93/52/987419352.db2.gz WWSDCRCWUGLKGH-QZTJIDSGSA-N 1 0 410.518 3.588 20 5 HHBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445727142 987791165 /nfs/dbraw/zinc/79/11/65/987791165.db2.gz TYSWVFADLUZBOY-UHFFFAOYSA-N 1 0 408.502 3.575 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000470084783 987985167 /nfs/dbraw/zinc/98/51/67/987985167.db2.gz ZUUCQVCHUAEHML-GOSISDBHSA-N 1 0 424.423 3.758 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000463920101 988029221 /nfs/dbraw/zinc/02/92/21/988029221.db2.gz LDFXHBRIVNBCFN-KBXCAEBGSA-N 1 0 403.454 3.926 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000470176097 988092620 /nfs/dbraw/zinc/09/26/20/988092620.db2.gz IHZBLPBPSBRUBN-FXBPSFAMSA-N 1 0 408.546 3.748 20 5 HHBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000470224019 988153958 /nfs/dbraw/zinc/15/39/58/988153958.db2.gz RXJDIZVCXABJFJ-OAHLLOKOSA-N 1 0 400.504 3.522 20 5 HHBDRO C[C@H]1C[C@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000464061301 988183122 /nfs/dbraw/zinc/18/31/22/988183122.db2.gz HOPXTBJKSMRGBJ-AZUAARDMSA-N 1 0 410.518 3.543 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)cc2[N+](=O)[O-])CC1 ZINC000464352154 988504155 /nfs/dbraw/zinc/50/41/55/988504155.db2.gz NRUJVTMAYCGYNU-HXUWFJFHSA-N 1 0 414.550 3.825 20 5 HHBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000464547880 988724683 /nfs/dbraw/zinc/72/46/83/988724683.db2.gz JTQCZCGOECCIRG-FHWLQOOXSA-N 1 0 416.566 3.881 20 5 HHBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464833449 989074475 /nfs/dbraw/zinc/07/44/75/989074475.db2.gz FBILXUNZIARDFO-SFHVURJKSA-N 1 0 407.474 3.599 20 5 HHBDRO C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000464837141 989080634 /nfs/dbraw/zinc/08/06/34/989080634.db2.gz SOTTZUSQWALUIJ-QGZVFWFLSA-N 1 0 407.474 3.741 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000464848822 989100431 /nfs/dbraw/zinc/10/04/31/989100431.db2.gz XTVFDXAIUHPLST-QUCCMNQESA-N 1 0 410.518 3.684 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000471029001 989101184 /nfs/dbraw/zinc/10/11/84/989101184.db2.gz DUFUUDYNMUZYPO-JOCHJYFZSA-N 1 0 411.502 3.994 20 5 HHBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000471198053 989336936 /nfs/dbraw/zinc/33/69/36/989336936.db2.gz BZOHQUBYJGDQDC-UHFFFAOYSA-N 1 0 410.518 3.944 20 5 HHBDRO CCOc1ccc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000465192988 989532236 /nfs/dbraw/zinc/53/22/36/989532236.db2.gz OUMHFJQMRQZMMW-MRXNPFEDSA-N 1 0 413.474 3.966 20 5 HHBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000465209166 989557715 /nfs/dbraw/zinc/55/77/15/989557715.db2.gz XENZAWUAPAVZIT-IBGZPJMESA-N 1 0 410.518 3.915 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471389408 989567470 /nfs/dbraw/zinc/56/74/70/989567470.db2.gz JAGKLCNNYXLMON-VSKRKVRLSA-N 1 0 407.514 3.754 20 5 HHBDRO C[C@@H](CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[N@H+](C)Cc1ccccc1 ZINC000471454458 989641197 /nfs/dbraw/zinc/64/11/97/989641197.db2.gz DIBXTFPNMVNNKW-IBGZPJMESA-N 1 0 424.545 3.838 20 5 HHBDRO COc1ccc(CSCC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000471554811 989755152 /nfs/dbraw/zinc/75/51/52/989755152.db2.gz JJHPYHVJHOHJOS-YCRPNKLZSA-N 1 0 417.531 3.644 20 5 HHBDRO CC[NH+]1CCN(c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)c2)CC1 ZINC000471663987 989868179 /nfs/dbraw/zinc/86/81/79/989868179.db2.gz SFIFNCAKAMNIRI-UHFFFAOYSA-N 1 0 402.882 3.571 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000466585196 991902429 /nfs/dbraw/zinc/90/24/29/991902429.db2.gz FXFSZYRKKYXZHV-PBHICJAKSA-N 1 0 402.882 3.883 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1SC ZINC000467047987 992357236 /nfs/dbraw/zinc/35/72/36/992357236.db2.gz SXCCIDMDBRCCAF-GDBMZVCRSA-N 1 0 415.515 3.718 20 5 HHBDRO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)CC[C@H]1CCCO1 ZINC000467150935 992468239 /nfs/dbraw/zinc/46/82/39/992468239.db2.gz XTDNHUIVQOSLBD-CZUORRHYSA-N 1 0 404.492 3.546 20 5 HHBDRO CC[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000467414296 992717415 /nfs/dbraw/zinc/71/74/15/992717415.db2.gz SMYLXPZOVQCYFF-KRWDZBQOSA-N 1 0 411.911 3.658 20 5 HHBDRO C[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000467846216 993078787 /nfs/dbraw/zinc/07/87/87/993078787.db2.gz LEAPTBGGMIVWGY-ZDUSSCGKSA-N 1 0 406.280 3.828 20 5 HHBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472456195 993458446 /nfs/dbraw/zinc/45/84/46/993458446.db2.gz RJVNZKOJWGNSSO-FQEVSTJZSA-N 1 0 407.474 3.741 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000480822505 993699238 /nfs/dbraw/zinc/69/92/38/993699238.db2.gz UZMMMBODEYURBS-HNNXBMFYSA-N 1 0 409.552 3.574 20 5 HHBDRO Cc1ccc(C)c(S(=O)(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000481037576 993881471 /nfs/dbraw/zinc/88/14/71/993881471.db2.gz KUBIVJFHUXOIAQ-UHFFFAOYSA-N 1 0 405.520 3.530 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCCC3(CC3)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000473060026 993980874 /nfs/dbraw/zinc/98/08/74/993980874.db2.gz VFPCIUNXFOAFJU-UHFFFAOYSA-N 1 0 414.506 3.953 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000481179382 994009561 /nfs/dbraw/zinc/00/95/61/994009561.db2.gz IIDLVFRXDIVJAJ-GHTZIAJQSA-N 1 0 402.516 3.760 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000481232215 994062268 /nfs/dbraw/zinc/06/22/68/994062268.db2.gz WYPUFJHEPJJVDC-UXHICEINSA-N 1 0 411.458 3.752 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000481360236 994187001 /nfs/dbraw/zinc/18/70/01/994187001.db2.gz OELZUISAWZYDRW-LJQANCHMSA-N 1 0 416.478 3.815 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000481506910 994339159 /nfs/dbraw/zinc/33/91/59/994339159.db2.gz REZJTADPJJSXQB-UHFFFAOYSA-N 1 0 408.502 3.907 20 5 HHBDRO CC[NH+](CC)CCOC1CCN(c2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000473512349 994364857 /nfs/dbraw/zinc/36/48/57/994364857.db2.gz HHCDVTHLYLHSNG-UHFFFAOYSA-N 1 0 414.344 3.993 20 5 HHBDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000481548243 994380663 /nfs/dbraw/zinc/38/06/63/994380663.db2.gz UPJVVDHTYHHEFT-FQEVSTJZSA-N 1 0 405.520 3.865 20 5 HHBDRO C[C@H]1CN(Cc2cccc(C[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)c2)CCO1 ZINC000481562660 994397705 /nfs/dbraw/zinc/39/77/05/994397705.db2.gz CNEMUYQVYHOCML-FDDCHVKYSA-N 1 0 409.530 3.926 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000473543244 994404150 /nfs/dbraw/zinc/40/41/50/994404150.db2.gz BLNZYWJSJZAMAH-CQSZACIVSA-N 1 0 409.914 3.929 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000481627830 994492855 /nfs/dbraw/zinc/49/28/55/994492855.db2.gz NNGXWRGIEOGAOF-UHFFFAOYSA-N 1 0 412.490 3.695 20 5 HHBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000481871285 994734913 /nfs/dbraw/zinc/73/49/13/994734913.db2.gz HIBFCQXUFSGDPR-UHFFFAOYSA-N 1 0 421.501 3.512 20 5 HHBDRO COc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481887246 994753609 /nfs/dbraw/zinc/75/36/09/994753609.db2.gz CENVIWCUBFFESO-PMACEKPBSA-N 1 0 409.486 3.730 20 5 HHBDRO CN(CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000481908964 994781399 /nfs/dbraw/zinc/78/13/99/994781399.db2.gz YCHKJHUQKFKQAD-NHCUHLMSSA-N 1 0 422.529 3.544 20 5 HHBDRO COc1cccc([C@H]2[C@@H](NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)CC[N@@H+]2C2CC2)c1 ZINC000482102898 995049072 /nfs/dbraw/zinc/04/90/72/995049072.db2.gz MCJMYDXLKJHNJJ-VXKWHMMOSA-N 1 0 420.469 3.793 20 5 HHBDRO CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000482136943 995087218 /nfs/dbraw/zinc/08/72/18/995087218.db2.gz QKAUKGXCQICBNM-NRFANRHFSA-N 1 0 410.518 3.596 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000474374258 995353555 /nfs/dbraw/zinc/35/35/55/995353555.db2.gz RYAPETOVBAGZQY-GXTWGEPZSA-N 1 0 404.385 3.605 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000482883431 995815615 /nfs/dbraw/zinc/81/56/15/995815615.db2.gz YTFCFCNGMFAZOC-MRXNPFEDSA-N 1 0 423.604 3.943 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1OC)[NH+]1CCCCC1 ZINC000475025352 995879088 /nfs/dbraw/zinc/87/90/88/995879088.db2.gz ZBLDCSXWXQLMHE-LJQANCHMSA-N 1 0 413.474 3.569 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cc1SC ZINC000483041405 995936331 /nfs/dbraw/zinc/93/63/31/995936331.db2.gz OLOMCWVDKALFIZ-OAHLLOKOSA-N 1 0 413.499 3.950 20 5 HHBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483229240 996048846 /nfs/dbraw/zinc/04/88/46/996048846.db2.gz DGEXSPHZYXCKRP-CQSZACIVSA-N 1 0 404.772 3.969 20 5 HHBDRO CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475318129 996066991 /nfs/dbraw/zinc/06/69/91/996066991.db2.gz OQDWFPHDMKJUQG-OAQYLSRUSA-N 1 0 422.529 3.544 20 5 HHBDRO CCCOc1ccc(C(C)(C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000483282589 996079791 /nfs/dbraw/zinc/07/97/91/996079791.db2.gz PUTFKJHCUUDSLK-UHFFFAOYSA-N 1 0 401.463 3.856 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000475511272 996191611 /nfs/dbraw/zinc/19/16/11/996191611.db2.gz SZCYTDVXBMIWSA-NEPJUHHUSA-N 1 0 407.268 3.820 20 5 HHBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000475511274 996191783 /nfs/dbraw/zinc/19/17/83/996191783.db2.gz SZCYTDVXBMIWSA-NWDGAFQWSA-N 1 0 407.268 3.820 20 5 HHBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000475690356 996302521 /nfs/dbraw/zinc/30/25/21/996302521.db2.gz AOHAEYGNFRFQRR-HXUWFJFHSA-N 1 0 418.519 3.530 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000483916146 996467050 /nfs/dbraw/zinc/46/70/50/996467050.db2.gz MUVFXJNOCICOFQ-UHFFFAOYSA-N 1 0 404.511 3.568 20 5 HHBDRO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000484656938 996994783 /nfs/dbraw/zinc/99/47/83/996994783.db2.gz UCNNZVCVSPUOFK-HFSMHLIXSA-N 1 0 400.475 3.623 20 5 HHBDRO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000484705313 997043468 /nfs/dbraw/zinc/04/34/68/997043468.db2.gz QHHGTAWSTOYPGA-GUNSETOZSA-N 1 0 412.515 3.646 20 5 HHBDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000484883469 997249326 /nfs/dbraw/zinc/24/93/26/997249326.db2.gz AEGJGUMBKBWCHW-UHFFFAOYSA-N 1 0 402.520 3.558 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000484888631 997255402 /nfs/dbraw/zinc/25/54/02/997255402.db2.gz QBSAFASOAYYBOZ-NSHDSACASA-N 1 0 413.352 3.791 20 5 HHBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccccc1 ZINC000484983506 997346531 /nfs/dbraw/zinc/34/65/31/997346531.db2.gz JJTIEEVTJQTCQN-MRXNPFEDSA-N 1 0 407.474 3.640 20 5 HHBDRO COC1CC[NH+](C2(CNc3ncc([N+](=O)[O-])cc3Br)CCCC2)CC1 ZINC000485190995 997569713 /nfs/dbraw/zinc/56/97/13/997569713.db2.gz HMPXTQVHUGRJDC-UHFFFAOYSA-N 1 0 413.316 3.588 20 5 HHBDRO COCC[N@H+](C)CC[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000485200645 997576694 /nfs/dbraw/zinc/57/66/94/997576694.db2.gz DVLMZDAZFXDPSE-KRWDZBQOSA-N 1 0 423.311 3.874 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485365520 997791675 /nfs/dbraw/zinc/79/16/75/997791675.db2.gz WHVGLHDKRCUZFD-LEWJYISDSA-N 1 0 422.529 3.828 20 5 HHBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485455440 997899879 /nfs/dbraw/zinc/89/98/79/997899879.db2.gz YULOMXCXSPHSIX-UHFFFAOYSA-N 1 0 420.416 3.580 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000485459145 997903337 /nfs/dbraw/zinc/90/33/37/997903337.db2.gz WKQBHIUWTUTZHH-GOEBONIOSA-N 1 0 419.428 3.979 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000477561877 998281303 /nfs/dbraw/zinc/28/13/03/998281303.db2.gz IGEWBEMHNAEDPX-UHFFFAOYSA-N 1 0 404.264 3.883 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000485834417 998300702 /nfs/dbraw/zinc/30/07/02/998300702.db2.gz WMKYOAWPFLPPMX-GFCCVEGCSA-N 1 0 400.460 3.893 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000485843231 998308493 /nfs/dbraw/zinc/30/84/93/998308493.db2.gz JRXMIUPAAXULNM-HOTGVXAUSA-N 1 0 421.563 3.668 20 5 HHBDRO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000485940868 998385528 /nfs/dbraw/zinc/38/55/28/998385528.db2.gz MZUHJAUVLMEJLT-LJQANCHMSA-N 1 0 409.486 3.874 20 5 HHBDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000485946891 998390734 /nfs/dbraw/zinc/39/07/34/998390734.db2.gz MNZWCCJFFSTZME-CQSZACIVSA-N 1 0 401.457 3.666 20 5 HHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c(F)c1 ZINC000486459790 998779604 /nfs/dbraw/zinc/77/96/04/998779604.db2.gz LYYFGNPVRCWEJT-IIBYNOLFSA-N 1 0 409.421 3.733 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000486474449 998785759 /nfs/dbraw/zinc/78/57/59/998785759.db2.gz XPQFWYRPFNDAON-OUWGLZAPSA-N 1 0 418.457 3.502 20 5 HHBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000478174975 998803023 /nfs/dbraw/zinc/80/30/23/998803023.db2.gz IXPCUFMZQILGQT-LJQANCHMSA-N 1 0 403.866 3.580 20 5 HHBDRO O=C(COc1ccccc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])N1CCCC1 ZINC000478277696 998860216 /nfs/dbraw/zinc/86/02/16/998860216.db2.gz PQHYMOBIEOLQAQ-UHFFFAOYSA-N 1 0 417.893 3.582 20 5 HHBDRO COC(=O)c1cnc(NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000478284326 998864526 /nfs/dbraw/zinc/86/45/26/998864526.db2.gz IYLOMBRSHDAGHE-HOTGVXAUSA-N 1 0 412.490 3.866 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)c1cccc(OC)c1 ZINC000478288326 998866572 /nfs/dbraw/zinc/86/65/72/998866572.db2.gz XNUSCDSLZBHMDP-NRFANRHFSA-N 1 0 414.506 3.794 20 5 HHBDRO COc1cc(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)cc([N+](=O)[O-])c1C ZINC000478347215 998905757 /nfs/dbraw/zinc/90/57/57/998905757.db2.gz UEEWRSWJBQVCHY-UHFFFAOYSA-N 1 0 413.474 3.663 20 5 HHBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000486753138 998924183 /nfs/dbraw/zinc/92/41/83/998924183.db2.gz HUBDSLIZINDKEC-UHFFFAOYSA-N 1 0 419.428 3.919 20 5 HHBDRO COC(=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000486894968 998995435 /nfs/dbraw/zinc/99/54/35/998995435.db2.gz BEXNRTWASZXIBP-UHFFFAOYSA-N 1 0 409.236 3.660 20 5 HHBDRO Cc1c(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000478506824 998999863 /nfs/dbraw/zinc/99/98/63/998999863.db2.gz OLFJYWWFMSEJTD-QGZVFWFLSA-N 1 0 417.531 3.929 20 5 HHBDRO C[C@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000478565157 999027165 /nfs/dbraw/zinc/02/71/65/999027165.db2.gz UELAFOGVCLCAIB-UONOGXRCSA-N 1 0 416.444 3.652 20 5 HHBDRO C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487341619 999140514 /nfs/dbraw/zinc/14/05/14/999140514.db2.gz DPSPTGOXXHLUDF-WIYYLYMNSA-N 1 0 422.529 3.835 20 5 HHBDRO C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487341616 999140749 /nfs/dbraw/zinc/14/07/49/999140749.db2.gz DPSPTGOXXHLUDF-NQIIRXRSSA-N 1 0 422.529 3.835 20 5 HHBDRO Cc1c(CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000478928931 999211485 /nfs/dbraw/zinc/21/14/85/999211485.db2.gz IIIFNOJJNBDRNU-UHFFFAOYSA-N 1 0 400.454 3.506 20 5 HHBDRO CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000487671773 999248846 /nfs/dbraw/zinc/24/88/46/999248846.db2.gz DBJHMLIAMCGKOA-QAPCUYQASA-N 1 0 411.458 3.621 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000487713656 999262187 /nfs/dbraw/zinc/26/21/87/999262187.db2.gz CNPJEBGWWBGTMU-UKRRQHHQSA-N 1 0 405.401 3.762 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000487742615 999273606 /nfs/dbraw/zinc/27/36/06/999273606.db2.gz MAAKUZZHIHCNSA-UHFFFAOYSA-N 1 0 411.449 3.924 20 5 HHBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487873762 999300886 /nfs/dbraw/zinc/30/08/86/999300886.db2.gz MCGWCZMOGDRYJV-QGZVFWFLSA-N 1 0 400.523 3.897 20 5 HHBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487886078 999304706 /nfs/dbraw/zinc/30/47/06/999304706.db2.gz OITXFSCSYMRHPZ-SFHVURJKSA-N 1 0 411.506 3.509 20 5 HHBDRO Cc1cc(OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c(F)cc1[N+](=O)[O-] ZINC000479183437 999314400 /nfs/dbraw/zinc/31/44/00/999314400.db2.gz ORBVMOBDZRXGDN-UHFFFAOYSA-N 1 0 419.478 3.609 20 5 HHBDRO C[C@@H]([NH2+]C1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000488072547 999367186 /nfs/dbraw/zinc/36/71/86/999367186.db2.gz VJLJMGNZLWPNMA-QGZVFWFLSA-N 1 0 406.486 3.877 20 5 HHBDRO Cc1c(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000479320301 999383431 /nfs/dbraw/zinc/38/34/31/999383431.db2.gz NHUVMSBAOAYDRC-QFBILLFUSA-N 1 0 402.520 3.847 20 5 HHBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000479471081 999431774 /nfs/dbraw/zinc/43/17/74/999431774.db2.gz LDIBPCYLQGXFLA-IRXDYDNUSA-N 1 0 402.539 3.633 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)NCc3cccc([N+](=O)[O-])c3C)c(C)c2)CC1 ZINC000479564026 999479540 /nfs/dbraw/zinc/47/95/40/999479540.db2.gz GEPGCMVAVRXHLN-UHFFFAOYSA-N 1 0 411.506 3.675 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000488482168 999502766 /nfs/dbraw/zinc/50/27/66/999502766.db2.gz RBMRHNZDXZKRLU-DYESRHJHSA-N 1 0 406.486 3.576 20 5 HHBDRO Cc1c(CNC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000479675042 999531919 /nfs/dbraw/zinc/53/19/19/999531919.db2.gz GSJVGAJBNXGLGK-YPGOJHLTSA-N 1 0 410.518 3.859 20 5 HHBDRO COCc1cccc(OCC2(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)CCC2)c1 ZINC000488719038 999586903 /nfs/dbraw/zinc/58/69/03/999586903.db2.gz VZRKWMZTNLYKSI-UHFFFAOYSA-N 1 0 414.506 3.824 20 5 HHBDRO C[C@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000488775484 999603780 /nfs/dbraw/zinc/60/37/80/999603780.db2.gz LNEHYLFVERSEKX-LLVKDONJSA-N 1 0 408.371 3.955 20 5 HHBDRO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cccc2ccccc21 ZINC000488783025 999606431 /nfs/dbraw/zinc/60/64/31/999606431.db2.gz MPYJAXRRHYFTQU-IAGOWNOFSA-N 1 0 421.501 3.847 20 5 HHBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479858731 999627388 /nfs/dbraw/zinc/62/73/88/999627388.db2.gz CEGSHSQGSZYNRS-UHFFFAOYSA-N 1 0 407.474 3.551 20 5 HHBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000488872607 999633347 /nfs/dbraw/zinc/63/33/47/999633347.db2.gz GWQXPUVHNBKNQH-QGZVFWFLSA-N 1 0 424.501 3.664 20 5 HHBDRO Cc1ccc(NS(=O)(=O)c2ccc(NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000489021719 999674647 /nfs/dbraw/zinc/67/46/47/999674647.db2.gz YWRNHEYICNUDGV-OAHLLOKOSA-N 1 0 420.535 3.622 20 5 HHBDRO Cc1c(CNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000480064224 999706701 /nfs/dbraw/zinc/70/67/01/999706701.db2.gz RYMBXSKYNXHSNU-UHFFFAOYSA-N 1 0 410.518 3.753 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H](CO)Cc3ccc(F)c(F)c3)cs2)c1 ZINC000480448262 999801597 /nfs/dbraw/zinc/80/15/97/999801597.db2.gz VPUIKAQYROFXEN-CQSZACIVSA-N 1 0 419.453 3.937 20 5 HHBDRO Cc1c(C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cccc1[N+](=O)[O-] ZINC000480503414 999813540 /nfs/dbraw/zinc/81/35/40/999813540.db2.gz XPUQHDWIFBXIHD-UHFFFAOYSA-N 1 0 408.458 3.755 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)ccc1[N+](=O)[O-] ZINC000489962231 999869837 /nfs/dbraw/zinc/86/98/37/999869837.db2.gz BJGISBVTEKSCNX-SFHVURJKSA-N 1 0 412.490 3.946 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000489982907 999872818 /nfs/dbraw/zinc/87/28/18/999872818.db2.gz PLBAQYZODLIAKQ-UHFFFAOYSA-N 1 0 421.563 3.860 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000490055797 999886286 /nfs/dbraw/zinc/88/62/86/999886286.db2.gz BXKZXVPCZRFNGP-UHFFFAOYSA-N 1 0 423.579 3.916 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000490227091 999915513 /nfs/dbraw/zinc/91/55/13/999915513.db2.gz LCXVRGICRIDALA-LVCYWYKZSA-N 1 0 411.502 3.906 20 5 HHBDRO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490429788 999956478 /nfs/dbraw/zinc/95/64/78/999956478.db2.gz FIGLNISDCNETEM-UHFFFAOYSA-N 1 0 411.527 3.948 20 5 HHBDRO C[C@]1(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCC[N@@H+]1Cc1ccccc1 ZINC000490529096 999972990 /nfs/dbraw/zinc/97/29/90/999972990.db2.gz VUBQKURHLDFUBA-HSZRJFAPSA-N 1 0 419.485 3.565 20 5 HHBDRO COc1cc(CN(C)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491067739 1000041983 /nfs/dbraw/zinc/04/19/83/1000041983.db2.gz RRPVLBRAPCMJOW-UHFFFAOYSA-N 1 0 401.454 3.552 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000491322899 1000065078 /nfs/dbraw/zinc/06/50/78/1000065078.db2.gz LQEDYMYZTOVWQW-YLJYHZDGSA-N 1 0 408.502 3.932 20 5 HHBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493283276 1000167364 /nfs/dbraw/zinc/16/73/64/1000167364.db2.gz VOZZITHBRJKWHW-UHFFFAOYSA-N 1 0 408.974 3.876 20 5 HHBDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000493937579 1000225635 /nfs/dbraw/zinc/22/56/35/1000225635.db2.gz RNWIZTXQZXIBNF-INIZCTEOSA-N 1 0 412.490 3.561 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000494046354 1000281840 /nfs/dbraw/zinc/28/18/40/1000281840.db2.gz CYNMYKXCUZUBNV-BBRMVZONSA-N 1 0 400.317 3.906 20 5 HHBDRO CC(C)(CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000494220543 1000371397 /nfs/dbraw/zinc/37/13/97/1000371397.db2.gz QXBQVCVTZADDFG-UHFFFAOYSA-N 1 0 402.417 3.677 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504899596 1000435790 /nfs/dbraw/zinc/43/57/90/1000435790.db2.gz JDZVXBAGVWYSON-KKSFZXQISA-N 1 0 417.481 3.857 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000504899617 1000436069 /nfs/dbraw/zinc/43/60/69/1000436069.db2.gz JKKVGFFVIZTCGK-FUHWJXTLSA-N 1 0 416.547 3.875 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000504911858 1000443823 /nfs/dbraw/zinc/44/38/23/1000443823.db2.gz MUDOQSUCDLZATK-QGZVFWFLSA-N 1 0 408.545 3.800 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494445679 1000495886 /nfs/dbraw/zinc/49/58/86/1000495886.db2.gz KCRZSVYNZIUHCM-XGINMYPSSA-N 1 0 419.865 3.704 20 5 HHBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494585837 1000565407 /nfs/dbraw/zinc/56/54/07/1000565407.db2.gz LIPKZSBRQDDWQS-NSHDSACASA-N 1 0 424.404 3.589 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H]2CCOc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000494697713 1000609250 /nfs/dbraw/zinc/60/92/50/1000609250.db2.gz RIMVVOFMYQUHPH-ZDUSSCGKSA-N 1 0 408.401 3.903 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCC(c3noc(C(C)C)n3)CC2)cccc1[N+](=O)[O-] ZINC000505202908 1000615881 /nfs/dbraw/zinc/61/58/81/1000615881.db2.gz GUTPYZWLFNWHPD-UHFFFAOYSA-N 1 0 401.467 3.618 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000495147773 1000889012 /nfs/dbraw/zinc/88/90/12/1000889012.db2.gz AJXWFEYHPLHQKM-UHFFFAOYSA-N 1 0 412.490 3.695 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000495172302 1000900062 /nfs/dbraw/zinc/90/00/62/1000900062.db2.gz JDWJLVOYCIDGOA-UYAOXDASSA-N 1 0 400.475 3.823 20 5 HHBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000505604004 1000929766 /nfs/dbraw/zinc/92/97/66/1000929766.db2.gz DQKRZKKRWAFSCO-SJKOYZFVSA-N 1 0 406.280 3.779 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-])c1ccccn1 ZINC000505662129 1000961916 /nfs/dbraw/zinc/96/19/16/1000961916.db2.gz VUEHGEBLOWBPHA-UZUQRXQVSA-N 1 0 423.517 3.721 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-])c1ccccn1 ZINC000505662126 1000962048 /nfs/dbraw/zinc/96/20/48/1000962048.db2.gz VUEHGEBLOWBPHA-HXOBKFHXSA-N 1 0 423.517 3.721 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000505930415 1001109239 /nfs/dbraw/zinc/10/92/39/1001109239.db2.gz NWDPHJJGMKFUQL-IAGOWNOFSA-N 1 0 400.523 3.896 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(CC[NH+]4CCCC4)CC3)o2)c(Cl)c1 ZINC000506063049 1001200018 /nfs/dbraw/zinc/20/00/18/1001200018.db2.gz AXPCMNDZQKMVJP-UHFFFAOYSA-N 1 0 418.925 3.722 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])cc2)C1 ZINC000497535712 1001424730 /nfs/dbraw/zinc/42/47/30/1001424730.db2.gz XMILMGFBALNHPZ-MRXNPFEDSA-N 1 0 417.531 3.842 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506475687 1001429888 /nfs/dbraw/zinc/42/98/88/1001429888.db2.gz YIGJASHWVZFMMQ-ROUUACIJSA-N 1 0 418.538 3.518 20 5 HHBDRO CC1=CC[N@H+](CCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000506664384 1001487170 /nfs/dbraw/zinc/48/71/70/1001487170.db2.gz VNXVOWRHCZRSJV-QGZVFWFLSA-N 1 0 409.490 3.545 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccc(OC)c1 ZINC000497745996 1001502387 /nfs/dbraw/zinc/50/23/87/1001502387.db2.gz OGOKSUCUTVIEOK-JOCHJYFZSA-N 1 0 424.501 3.757 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCCC1 ZINC000497773665 1001510652 /nfs/dbraw/zinc/51/06/52/1001510652.db2.gz LQBYZXZRJZPAMT-HXUWFJFHSA-N 1 0 420.469 3.719 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000497801338 1001518366 /nfs/dbraw/zinc/51/83/66/1001518366.db2.gz YVFHXPWRKBBASC-HNNXBMFYSA-N 1 0 403.385 3.821 20 5 HHBDRO CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@@H+]1CCc2ccccc2C1 ZINC000497893698 1001553928 /nfs/dbraw/zinc/55/39/28/1001553928.db2.gz FRBWJLQHCDPNFC-SFHVURJKSA-N 1 0 404.470 3.710 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000497983594 1001590558 /nfs/dbraw/zinc/59/05/58/1001590558.db2.gz NZCRITFBQJAOEL-MJGOQNOKSA-N 1 0 417.531 3.749 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000497984091 1001590875 /nfs/dbraw/zinc/59/08/75/1001590875.db2.gz OAUWWKFJVODACY-XLIONFOSSA-N 1 0 417.531 3.749 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498173016 1001673815 /nfs/dbraw/zinc/67/38/15/1001673815.db2.gz OCSIPXITVXDXAX-UHFFFAOYSA-N 1 0 411.380 3.539 20 5 HHBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000498376493 1001807034 /nfs/dbraw/zinc/80/70/34/1001807034.db2.gz ZHVXYCRKEUTMRG-GDBMZVCRSA-N 1 0 422.279 3.622 20 5 HHBDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000507162081 1001850082 /nfs/dbraw/zinc/85/00/82/1001850082.db2.gz UJFUBFPKCBBSEX-UHFFFAOYSA-N 1 0 415.490 3.610 20 5 HHBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000498489107 1001915764 /nfs/dbraw/zinc/91/57/64/1001915764.db2.gz MRWDUORVJSLBQB-KRWDZBQOSA-N 1 0 422.957 3.944 20 5 HHBDRO Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc([N+](=O)[O-])c1 ZINC000507279897 1001964259 /nfs/dbraw/zinc/96/42/59/1001964259.db2.gz IDTXYBVBWZQTFK-OAQYLSRUSA-N 1 0 423.513 3.562 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000507290388 1001973898 /nfs/dbraw/zinc/97/38/98/1001973898.db2.gz JCDOTPQMNPTONL-RTBURBONSA-N 1 0 421.563 3.595 20 5 HHBDRO C[NH+](C)CCC1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000498598485 1002004184 /nfs/dbraw/zinc/00/41/84/1002004184.db2.gz DKDJYXIQGRQWQJ-UHFFFAOYSA-N 1 0 416.444 3.606 20 5 HHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000507624653 1002229045 /nfs/dbraw/zinc/22/90/45/1002229045.db2.gz LGAUSKOZLLBOFL-KXBFYZLASA-N 1 0 409.465 3.918 20 5 HHBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC3(C)CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000507854732 1002391678 /nfs/dbraw/zinc/39/16/78/1002391678.db2.gz HRSVPDRTBIIOQZ-IRXDYDNUSA-N 1 0 402.539 3.539 20 5 HHBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000499110240 1002500305 /nfs/dbraw/zinc/50/03/05/1002500305.db2.gz JAMMHMAIHKEUOI-KXBFYZLASA-N 1 0 400.479 3.575 20 5 HHBDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000499277442 1002685380 /nfs/dbraw/zinc/68/53/80/1002685380.db2.gz RKCJMRLOIXBQQH-UHFFFAOYSA-N 1 0 412.918 3.851 20 5 HHBDRO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000499764199 1003102587 /nfs/dbraw/zinc/10/25/87/1003102587.db2.gz YHKWMOOIWICUQM-SFHVURJKSA-N 1 0 420.554 3.744 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000499847254 1003183120 /nfs/dbraw/zinc/18/31/20/1003183120.db2.gz QDWVUSZZBNFYGW-KRWDZBQOSA-N 1 0 404.470 3.880 20 5 HHBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000500201529 1003545175 /nfs/dbraw/zinc/54/51/75/1003545175.db2.gz KCOICNRGJSTODU-UHFFFAOYSA-N 1 0 409.552 3.527 20 5 HHBDRO C[C@@H]([NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOCC1)c1ccccc1 ZINC000500462957 1003730966 /nfs/dbraw/zinc/73/09/66/1003730966.db2.gz CWDVZOWCZXSOQQ-OAHLLOKOSA-N 1 0 417.893 3.878 20 5 HHBDRO CC(C)Oc1ccc([C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000500570191 1003789503 /nfs/dbraw/zinc/78/95/03/1003789503.db2.gz OGMILFMKENFSBD-NRFANRHFSA-N 1 0 414.506 3.527 20 5 HHBDRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000509520551 1003920591 /nfs/dbraw/zinc/92/05/91/1003920591.db2.gz DFEHJQKQNMCLDM-INIZCTEOSA-N 1 0 423.560 3.772 20 5 HHBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000500748980 1003935513 /nfs/dbraw/zinc/93/55/13/1003935513.db2.gz WREBHEPRQSENLD-UHFFFAOYSA-N 1 0 413.522 3.571 20 5 HHBDRO COCC1(C)CC[NH+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000500794804 1003961283 /nfs/dbraw/zinc/96/12/83/1003961283.db2.gz QCQJPKRBUUBGCW-UHFFFAOYSA-N 1 0 406.401 3.793 20 5 HHBDRO C[C@H]1C[C@@H](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000509746100 1004067459 /nfs/dbraw/zinc/06/74/59/1004067459.db2.gz MUWVYMIYBGVGRF-AZUAARDMSA-N 1 0 410.518 3.737 20 5 HHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000509799103 1004105223 /nfs/dbraw/zinc/10/52/23/1004105223.db2.gz OVBDAUBKSSMVLD-HXUWFJFHSA-N 1 0 402.470 3.957 20 5 HHBDRO C[NH+](C)C[C@H]1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000512303770 1004204419 /nfs/dbraw/zinc/20/44/19/1004204419.db2.gz WKBXCVIYQXCOBE-FOIQADDNSA-N 1 0 416.909 3.812 20 5 HHBDRO CC(C)C[C@@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000509938112 1004219085 /nfs/dbraw/zinc/21/90/85/1004219085.db2.gz OCHXWBQWAMXPAA-WMZOPIPTSA-N 1 0 413.522 3.869 20 5 HHBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000512333514 1004223932 /nfs/dbraw/zinc/22/39/32/1004223932.db2.gz GQLLDUQCWVNPCK-UHFFFAOYSA-N 1 0 404.555 3.638 20 5 HHBDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000509976377 1004242068 /nfs/dbraw/zinc/24/20/68/1004242068.db2.gz ZCQYFZZLEXMZOC-HNNXBMFYSA-N 1 0 406.389 3.592 20 5 HHBDRO O=C(CC[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000501163244 1004246293 /nfs/dbraw/zinc/24/62/93/1004246293.db2.gz LWWCBMAZAVVLNG-SFHVURJKSA-N 1 0 401.438 3.744 20 5 HHBDRO C[C@H]1C[C@H](CCNC(=O)CCNc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000510112939 1004332475 /nfs/dbraw/zinc/33/24/75/1004332475.db2.gz NAUACGUJSDBEBY-ICSRJNTNSA-N 1 0 410.518 3.814 20 5 HHBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000501374981 1004374974 /nfs/dbraw/zinc/37/49/74/1004374974.db2.gz YGUHPMFUTKVOTQ-UTKZUKDTSA-N 1 0 419.485 3.598 20 5 HHBDRO C[NH+](C)CCCC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000501394431 1004389583 /nfs/dbraw/zinc/38/95/83/1004389583.db2.gz LNNDMHWLXCLEQG-UHFFFAOYSA-N 1 0 400.426 3.782 20 5 HHBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000512575211 1004395147 /nfs/dbraw/zinc/39/51/47/1004395147.db2.gz XPFLWQAWKUBEEO-ROUUACIJSA-N 1 0 402.539 3.683 20 5 HHBDRO CCCC[NH+]1CCC(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000501425790 1004413381 /nfs/dbraw/zinc/41/33/81/1004413381.db2.gz SSYJLEKEIBDBLA-UHFFFAOYSA-N 1 0 403.401 3.530 20 5 HHBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000510244999 1004421854 /nfs/dbraw/zinc/42/18/54/1004421854.db2.gz SPPLNIHETVCGMN-CZUORRHYSA-N 1 0 417.462 3.689 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000512677233 1004486478 /nfs/dbraw/zinc/48/64/78/1004486478.db2.gz HXFUCOYMAHZSGT-KDURUIRLSA-N 1 0 412.534 3.845 20 5 HHBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000501595368 1004540534 /nfs/dbraw/zinc/54/05/34/1004540534.db2.gz OGFLJRFTEVUAMU-UHFFFAOYSA-N 1 0 411.506 3.557 20 5 HHBDRO CCOC1CC2(C1)CCN(CC(=O)Nc1nc(-c3cccc([N+](=O)[O-])c3)cs1)C2 ZINC000512797387 1004564913 /nfs/dbraw/zinc/56/49/13/1004564913.db2.gz NWJLFROPJGHOCP-UHFFFAOYSA-N 1 0 416.503 3.548 20 5 HHBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510519860 1004644462 /nfs/dbraw/zinc/64/44/62/1004644462.db2.gz CZOSCRAZNOXNHD-IERDGZPVSA-N 1 0 407.474 3.510 20 5 HHBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000510524520 1004653166 /nfs/dbraw/zinc/65/31/66/1004653166.db2.gz LLTXFNOATRRBQK-FDDCHVKYSA-N 1 0 424.545 3.927 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000510535801 1004668133 /nfs/dbraw/zinc/66/81/33/1004668133.db2.gz CKVNGDGJCFRZJC-GFCCVEGCSA-N 1 0 414.384 3.647 20 5 HHBDRO O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000512904014 1004671934 /nfs/dbraw/zinc/67/19/34/1004671934.db2.gz LKCYKTLQBUVELQ-UHFFFAOYSA-N 1 0 405.410 3.631 20 5 HHBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000512958292 1004727566 /nfs/dbraw/zinc/72/75/66/1004727566.db2.gz FGBJGUIXBADOLW-WMLDXEAASA-N 1 0 421.906 3.553 20 5 HHBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCCC1 ZINC000512978140 1004741436 /nfs/dbraw/zinc/74/14/36/1004741436.db2.gz YEKWMGVNBKFBCV-UHFFFAOYSA-N 1 0 422.478 3.973 20 5 HHBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513171348 1004844283 /nfs/dbraw/zinc/84/42/83/1004844283.db2.gz BBBXRSVVLLCGJY-IBGZPJMESA-N 1 0 410.392 3.984 20 5 HHBDRO C[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000510832074 1004880430 /nfs/dbraw/zinc/88/04/30/1004880430.db2.gz HCTHXHHGKNYWDC-CYBMUJFWSA-N 1 0 420.416 3.765 20 5 HHBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000510834707 1004881901 /nfs/dbraw/zinc/88/19/01/1004881901.db2.gz RTENCHUWIGAOLI-UHFFFAOYSA-N 1 0 410.518 3.616 20 5 HHBDRO COc1ccc(-c2ccc(C[NH+]3CCC(CC(=O)N(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000513374823 1004932919 /nfs/dbraw/zinc/93/29/19/1004932919.db2.gz AMODOEZNBGKKAR-UHFFFAOYSA-N 1 0 401.463 3.554 20 5 HHBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000511043799 1004994921 /nfs/dbraw/zinc/99/49/21/1004994921.db2.gz HDALHVKUPYLHIS-INIZCTEOSA-N 1 0 417.531 3.614 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccccc1Br)CCc1ccccc1[N+](=O)[O-] ZINC000511092547 1005015048 /nfs/dbraw/zinc/01/50/48/1005015048.db2.gz AWSPXVMMSSBWMM-UHFFFAOYSA-N 1 0 406.280 3.860 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c([N+](=O)[O-])cc1OC ZINC000502345178 1005024527 /nfs/dbraw/zinc/02/45/27/1005024527.db2.gz KRJHKXJXXFNOGR-HNNXBMFYSA-N 1 0 400.479 3.524 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCC5)C3)o2)c([N+](=O)[O-])c1 ZINC000513649602 1005066037 /nfs/dbraw/zinc/06/60/37/1005066037.db2.gz ZTBWKZHURVWFBZ-OAHLLOKOSA-N 1 0 423.473 3.781 20 5 HHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000513698737 1005087021 /nfs/dbraw/zinc/08/70/21/1005087021.db2.gz FDBBXYDCWOQOKW-BBRMVZONSA-N 1 0 405.401 3.762 20 5 HHBDRO Cc1ccc(NCCCNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000511246632 1005089311 /nfs/dbraw/zinc/08/93/11/1005089311.db2.gz GZLVATIALPZGKO-ROUUACIJSA-N 1 0 417.554 3.657 20 5 HHBDRO Cc1ccc(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1[N+](=O)[O-] ZINC000502569409 1005123085 /nfs/dbraw/zinc/12/30/85/1005123085.db2.gz LGPMXFDQEJZZTH-QGZVFWFLSA-N 1 0 412.490 3.925 20 5 HHBDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513826113 1005147241 /nfs/dbraw/zinc/14/72/41/1005147241.db2.gz PCHFPRUCUCCEST-KCZVDYSFSA-N 1 0 423.561 3.501 20 5 HHBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000502626928 1005147895 /nfs/dbraw/zinc/14/78/95/1005147895.db2.gz VTNAVZMDWRJZCA-QGZVFWFLSA-N 1 0 402.539 3.681 20 5 HHBDRO C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511386872 1005151882 /nfs/dbraw/zinc/15/18/82/1005151882.db2.gz FWUSSJIVEJIQEF-HKUYNNGSSA-N 1 0 402.539 3.870 20 5 HHBDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000511495752 1005200608 /nfs/dbraw/zinc/20/06/08/1005200608.db2.gz SMGHUJHJZSVGJS-WBVHZDCISA-N 1 0 417.531 3.686 20 5 HHBDRO COc1ccc(CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000502809249 1005226719 /nfs/dbraw/zinc/22/67/19/1005226719.db2.gz BKKGKOCIWWAKMP-HNNXBMFYSA-N 1 0 400.479 3.532 20 5 HHBDRO C[N@H+]([C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H]1CCC[C@H]1O ZINC000511573342 1005229825 /nfs/dbraw/zinc/22/98/25/1005229825.db2.gz HWBCXPOGGCMYPM-QRVBRYPASA-N 1 0 403.866 3.773 20 5 HHBDRO COc1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000511600118 1005240449 /nfs/dbraw/zinc/24/04/49/1005240449.db2.gz RGVSQEZWCNPOOI-KRWDZBQOSA-N 1 0 403.504 3.868 20 5 HHBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511744161 1005303339 /nfs/dbraw/zinc/30/33/39/1005303339.db2.gz KGCQSOVNSMALTP-BJKOFHAPSA-N 1 0 415.493 3.922 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511770588 1005317596 /nfs/dbraw/zinc/31/75/96/1005317596.db2.gz MSFUXSKLPDHFPV-BJKOFHAPSA-N 1 0 415.493 3.922 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)n2)cc1 ZINC000511780639 1005323684 /nfs/dbraw/zinc/32/36/84/1005323684.db2.gz ITOSCMLXBIDQRD-HSALFYBXSA-N 1 0 406.442 3.649 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cccc1[N+](=O)[O-] ZINC000511783739 1005326110 /nfs/dbraw/zinc/32/61/10/1005326110.db2.gz DEHYGXWSFKWJJK-XQBPLPMBSA-N 1 0 409.486 3.736 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1SC ZINC000534019731 1005990834 /nfs/dbraw/zinc/99/08/34/1005990834.db2.gz LMGISGMVXAUCEF-DNVCBOLYSA-N 1 0 401.488 3.501 20 5 HHBDRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000531205177 1006045207 /nfs/dbraw/zinc/04/52/07/1006045207.db2.gz PVQAZIVZRMRKDV-HUUCEWRRSA-N 1 0 403.454 3.749 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000514821021 1006153024 /nfs/dbraw/zinc/15/30/24/1006153024.db2.gz YFTDTGNKKXTFML-ZWKOTPCHSA-N 1 0 410.474 3.589 20 5 HHBDRO Cc1cc(N2CCC([NH2+]Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)nc(C)n1 ZINC000531403547 1006175789 /nfs/dbraw/zinc/17/57/89/1006175789.db2.gz TUZSTZJQSCQZEP-UHFFFAOYSA-N 1 0 424.530 3.884 20 5 HHBDRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1OC ZINC000514926606 1006207397 /nfs/dbraw/zinc/20/73/97/1006207397.db2.gz DWYBENDHVYFETG-HNNXBMFYSA-N 1 0 401.463 3.908 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534213326 1006207856 /nfs/dbraw/zinc/20/78/56/1006207856.db2.gz JENVYNYTPRDMEI-SFTDATJTSA-N 1 0 417.554 3.704 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCO[C@@H]2CCOC2)cc1 ZINC000531535574 1006261689 /nfs/dbraw/zinc/26/16/89/1006261689.db2.gz FTQPSSUKZZUEOD-JOCHJYFZSA-N 1 0 422.485 3.733 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000531556461 1006272179 /nfs/dbraw/zinc/27/21/79/1006272179.db2.gz QBDOYRIBTMTFKK-OXQOHEQNSA-N 1 0 411.502 3.755 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000534329306 1006302227 /nfs/dbraw/zinc/30/22/27/1006302227.db2.gz XWODQJKXNKGIQQ-IUKKYPGJSA-N 1 0 413.518 3.934 20 5 HHBDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000531630492 1006316505 /nfs/dbraw/zinc/31/65/05/1006316505.db2.gz PKQRCTYESSSPAD-GFCCVEGCSA-N 1 0 422.279 3.718 20 5 HHBDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000531688039 1006355350 /nfs/dbraw/zinc/35/53/50/1006355350.db2.gz HTVDXMUBWFNBNC-KRWDZBQOSA-N 1 0 417.531 3.716 20 5 HHBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000531696397 1006360570 /nfs/dbraw/zinc/36/05/70/1006360570.db2.gz FGUVNFLSEAYVEN-INIZCTEOSA-N 1 0 405.520 3.582 20 5 HHBDRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000515523337 1006512915 /nfs/dbraw/zinc/51/29/15/1006512915.db2.gz STUVMDXJEWRFNT-KBPBESRZSA-N 1 0 411.462 3.557 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[N@@H+]1Cc1ccccc1 ZINC000534517371 1006512961 /nfs/dbraw/zinc/51/29/61/1006512961.db2.gz IZLZNOSEEHXDFG-YLJYHZDGSA-N 1 0 408.502 3.716 20 5 HHBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000531915851 1006517596 /nfs/dbraw/zinc/51/75/96/1006517596.db2.gz TUBQEOAHTFJBRC-SJORKVTESA-N 1 0 400.422 3.984 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)[NH+]2CCCC2)c1 ZINC000534540662 1006531996 /nfs/dbraw/zinc/53/19/96/1006531996.db2.gz PCPBZPIRXTYTNH-JOCHJYFZSA-N 1 0 424.501 3.508 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000534622841 1006603331 /nfs/dbraw/zinc/60/33/31/1006603331.db2.gz LMROCZWLIUUHSK-UHFFFAOYSA-N 1 0 406.486 3.708 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000534695936 1006679078 /nfs/dbraw/zinc/67/90/78/1006679078.db2.gz JRBLTFYMAVLDQW-QGZVFWFLSA-N 1 0 419.865 3.739 20 5 HHBDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)no1 ZINC000538422132 1006689133 /nfs/dbraw/zinc/68/91/33/1006689133.db2.gz HYFXXQWBSHFNIQ-HNNXBMFYSA-N 1 0 418.457 3.939 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000538426194 1006692392 /nfs/dbraw/zinc/69/23/92/1006692392.db2.gz CYFUBLZGVZENEA-HXUWFJFHSA-N 1 0 411.502 3.653 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2)C[C@H](C)O1 ZINC000515826422 1006703639 /nfs/dbraw/zinc/70/36/39/1006703639.db2.gz MWHQWSUDHKHFIG-HOTGVXAUSA-N 1 0 422.485 3.615 20 5 HHBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000515965509 1006794461 /nfs/dbraw/zinc/79/44/61/1006794461.db2.gz RCCYPROOCJEGLG-OAQYLSRUSA-N 1 0 409.486 3.579 20 5 HHBDRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000534912966 1006946604 /nfs/dbraw/zinc/94/66/04/1006946604.db2.gz LOVLIHPGVCJDHY-KRWDZBQOSA-N 1 0 409.490 3.567 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000532530913 1006965103 /nfs/dbraw/zinc/96/51/03/1006965103.db2.gz XOHLOXYLGJTNDD-ZIAGYGMSSA-N 1 0 423.872 3.545 20 5 HHBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000538729983 1007010822 /nfs/dbraw/zinc/01/08/22/1007010822.db2.gz TZOOHQIKDYSPBJ-HNNXBMFYSA-N 1 0 403.866 3.999 20 5 HHBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(-c3ccc(OC)cc3[N+](=O)[O-])o1)CC2 ZINC000538737271 1007019126 /nfs/dbraw/zinc/01/91/26/1007019126.db2.gz SPIXWJWXSQMFIA-LEWJYISDSA-N 1 0 416.474 3.615 20 5 HHBDRO CC(C)C(=O)NCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000538823638 1007097369 /nfs/dbraw/zinc/09/73/69/1007097369.db2.gz QBPUREWTGBJPEC-UHFFFAOYSA-N 1 0 424.295 3.821 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000538866688 1007144617 /nfs/dbraw/zinc/14/46/17/1007144617.db2.gz ALPZBWCHINZCLN-JSGCOSHPSA-N 1 0 405.401 3.728 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000538866690 1007144805 /nfs/dbraw/zinc/14/48/05/1007144805.db2.gz ALPZBWCHINZCLN-TZMCWYRMSA-N 1 0 405.401 3.728 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000516578163 1007163537 /nfs/dbraw/zinc/16/35/37/1007163537.db2.gz RBSWNQMOQWMYCM-SFHVURJKSA-N 1 0 410.518 3.869 20 5 HHBDRO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000532763032 1007167698 /nfs/dbraw/zinc/16/76/98/1007167698.db2.gz ANPDHKQEGFVNLA-MJGOQNOKSA-N 1 0 407.470 3.724 20 5 HHBDRO CCCCCC(=O)NC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532938797 1007310589 /nfs/dbraw/zinc/31/05/89/1007310589.db2.gz FWJOATZFHIQRSD-UHFFFAOYSA-N 1 0 414.506 3.953 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000532950468 1007320302 /nfs/dbraw/zinc/32/03/02/1007320302.db2.gz MEPCZPPWVXLBAM-SFHVURJKSA-N 1 0 418.538 3.520 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000539056565 1007351834 /nfs/dbraw/zinc/35/18/34/1007351834.db2.gz PTPVJJOCWFVLGK-KGLIPLIRSA-N 1 0 409.280 3.756 20 5 HHBDRO CC[N@H+](CCC1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1)CC(C)C ZINC000539113656 1007400318 /nfs/dbraw/zinc/40/03/18/1007400318.db2.gz FMABJAYCGBGVFK-UHFFFAOYSA-N 1 0 411.568 3.505 20 5 HHBDRO COc1ccc(CC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000533115133 1007461529 /nfs/dbraw/zinc/46/15/29/1007461529.db2.gz KAGCGAMALDSCLP-FXAWDEMLSA-N 1 0 411.502 3.563 20 5 HHBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)C1 ZINC000535405865 1007473806 /nfs/dbraw/zinc/47/38/06/1007473806.db2.gz OKHPSRGRVVODTD-MRXNPFEDSA-N 1 0 422.485 3.978 20 5 HHBDRO COc1cc(C[N@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)ccc1SC ZINC000533256785 1007574201 /nfs/dbraw/zinc/57/42/01/1007574201.db2.gz WVPRLUDPIUZJIR-UHFFFAOYSA-N 1 0 417.487 3.755 20 5 HHBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539296177 1007594298 /nfs/dbraw/zinc/59/42/98/1007594298.db2.gz ZVYZRRWYVOPFPL-ZQIUZPCESA-N 1 0 403.504 3.610 20 5 HHBDRO COCCSc1ccc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000539307270 1007605288 /nfs/dbraw/zinc/60/52/88/1007605288.db2.gz RQEKYMHAHRNNAQ-OAHLLOKOSA-N 1 0 403.504 3.647 20 5 HHBDRO O=C(C[NH2+][C@H](COc1ccccc1)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000539317422 1007615830 /nfs/dbraw/zinc/61/58/30/1007615830.db2.gz SDCCSAPESOHPFH-JOCHJYFZSA-N 1 0 417.465 3.894 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000539333631 1007632785 /nfs/dbraw/zinc/63/27/85/1007632785.db2.gz AOUIOYLFUZZSPZ-APWZRJJASA-N 1 0 413.474 3.690 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000539333633 1007633635 /nfs/dbraw/zinc/63/36/35/1007633635.db2.gz AOUIOYLFUZZSPZ-QFBILLFUSA-N 1 0 413.474 3.690 20 5 HHBDRO Cc1c([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000539365356 1007668776 /nfs/dbraw/zinc/66/87/76/1007668776.db2.gz QKFMEWAJPJXMHE-AWEZNQCLSA-N 1 0 411.437 3.542 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000539379509 1007684226 /nfs/dbraw/zinc/68/42/26/1007684226.db2.gz DZJVHEFLUHKQRG-CVEARBPZSA-N 1 0 412.490 3.881 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(OCc4ccccn4)cc3)C2)nc1 ZINC000533378720 1007690677 /nfs/dbraw/zinc/69/06/77/1007690677.db2.gz OZXRGLZFJYDZNC-GOSISDBHSA-N 1 0 405.458 3.650 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535679588 1007707016 /nfs/dbraw/zinc/70/70/16/1007707016.db2.gz JRLMBTLKBKKBFP-VBKZILBWSA-N 1 0 421.856 3.575 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cccc1[N+](=O)[O-] ZINC000533399289 1007710795 /nfs/dbraw/zinc/71/07/95/1007710795.db2.gz YCRINQYZIVCWJX-LJQANCHMSA-N 1 0 411.458 3.840 20 5 HHBDRO CC1(C)C[N@@H+](C2(CNc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CCCCC2)CCO1 ZINC000517490250 1007715135 /nfs/dbraw/zinc/71/51/35/1007715135.db2.gz MQQXCONCFFUBAP-UHFFFAOYSA-N 1 0 416.522 3.705 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000539502666 1007812544 /nfs/dbraw/zinc/81/25/44/1007812544.db2.gz LGUWSJYIRGDQDL-UHFFFAOYSA-N 1 0 415.465 3.592 20 5 HHBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000539526759 1007835240 /nfs/dbraw/zinc/83/52/40/1007835240.db2.gz ZDADKKQRPLMUEE-UHFFFAOYSA-N 1 0 415.446 3.825 20 5 HHBDRO COC(=O)CC1([NH2+]Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CCCCC1 ZINC000533526619 1007846589 /nfs/dbraw/zinc/84/65/89/1007846589.db2.gz ROFULVADLIYMBL-UHFFFAOYSA-N 1 0 402.394 3.560 20 5 HHBDRO COc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000517642765 1007852253 /nfs/dbraw/zinc/85/22/53/1007852253.db2.gz IUDQXSZIAMHHFV-CYBMUJFWSA-N 1 0 419.865 3.731 20 5 HHBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(=O)Nc1c(C)cccc1C ZINC000533533360 1007856697 /nfs/dbraw/zinc/85/66/97/1007856697.db2.gz MDAITNFRFOMHQP-UHFFFAOYSA-N 1 0 412.490 3.809 20 5 HHBDRO COc1cc(C[N@H+](C)CCc2ncc(C)s2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539823766 1008118164 /nfs/dbraw/zinc/11/81/64/1008118164.db2.gz LFRJQIRSSYQARE-UHFFFAOYSA-N 1 0 419.425 3.984 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533807250 1008125542 /nfs/dbraw/zinc/12/55/42/1008125542.db2.gz YZEWFEXJLYBKPE-UTKZUKDTSA-N 1 0 408.502 3.573 20 5 HHBDRO CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000533926531 1008210258 /nfs/dbraw/zinc/21/02/58/1008210258.db2.gz JLPMFCNQIAQDGY-FQEVSTJZSA-N 1 0 406.486 3.742 20 5 HHBDRO C[N@H+](CCCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])Cc1ccccc1 ZINC000540067702 1008269131 /nfs/dbraw/zinc/26/91/31/1008269131.db2.gz POMYJJGQWQROFU-UHFFFAOYSA-N 1 0 404.470 3.909 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000518445554 1008310084 /nfs/dbraw/zinc/31/00/84/1008310084.db2.gz QBWLJMUQGZTDGH-UHFFFAOYSA-N 1 0 408.458 3.562 20 5 HHBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000540153137 1008313563 /nfs/dbraw/zinc/31/35/63/1008313563.db2.gz HMMBFINPIOFKNC-VFCRVFHLSA-N 1 0 401.463 3.686 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000540157004 1008314942 /nfs/dbraw/zinc/31/49/42/1008314942.db2.gz XMBVPLCYCXNHLH-UKRRQHHQSA-N 1 0 409.280 3.756 20 5 HHBDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000540160122 1008315902 /nfs/dbraw/zinc/31/59/02/1008315902.db2.gz JJXRUCFBLBBGPQ-DOTOQJQBSA-N 1 0 409.280 3.838 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000540175723 1008323309 /nfs/dbraw/zinc/32/33/09/1008323309.db2.gz WJFRJLZUGIBPPQ-INIZCTEOSA-N 1 0 405.520 3.785 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000540319874 1008378148 /nfs/dbraw/zinc/37/81/48/1008378148.db2.gz UTHPUJGLNBQUHE-GFCCVEGCSA-N 1 0 409.389 3.884 20 5 HHBDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1)C[C@@H]1CCCCO1 ZINC000540420163 1008425438 /nfs/dbraw/zinc/42/54/38/1008425438.db2.gz QLSKLMOMJAVGOR-FQEVSTJZSA-N 1 0 414.506 3.965 20 5 HHBDRO COc1cccc(NC(=O)[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000518845779 1008443018 /nfs/dbraw/zinc/44/30/18/1008443018.db2.gz RMIUDVMYLUBJSY-JOCHJYFZSA-N 1 0 421.453 3.952 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@@H](c2nccs2)c2ccccc2)cc1[N+](=O)[O-] ZINC000540475573 1008446592 /nfs/dbraw/zinc/44/65/92/1008446592.db2.gz PQMUMXSWSOHAEH-MGPUTAFESA-N 1 0 410.499 3.916 20 5 HHBDRO CSc1ccc(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000518962209 1008488490 /nfs/dbraw/zinc/48/84/90/1008488490.db2.gz DRMNKKMVRZOLAB-UHFFFAOYSA-N 1 0 415.515 3.721 20 5 HHBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000549099857 1008664528 /nfs/dbraw/zinc/66/45/28/1008664528.db2.gz RHPGEKWOYJHHRI-IBGZPJMESA-N 1 0 400.479 3.599 20 5 HHBDRO C[NH+](C)CCOc1ccc(-c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)cc1 ZINC000545587102 1008686417 /nfs/dbraw/zinc/68/64/17/1008686417.db2.gz WVPNZIGVTFKDAM-UHFFFAOYSA-N 1 0 420.372 3.854 20 5 HHBDRO Cc1ccc(CN(Cc2ccco2)C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000543131591 1008706046 /nfs/dbraw/zinc/70/60/46/1008706046.db2.gz QUTBDHIHXISKFZ-MRXNPFEDSA-N 1 0 402.472 4.000 20 5 HHBDRO COc1cc(C[NH2+]CCc2c[nH]c3ccc(Br)cc23)c([N+](=O)[O-])cc1O ZINC000543243427 1008813760 /nfs/dbraw/zinc/81/37/60/1008813760.db2.gz KUVUHUCQDIGRDC-UHFFFAOYSA-N 1 0 420.263 3.885 20 5 HHBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549281542 1008851820 /nfs/dbraw/zinc/85/18/20/1008851820.db2.gz ZQAXGZZWYGGOFY-UHFFFAOYSA-N 1 0 407.392 3.792 20 5 HHBDRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)c1OC ZINC000519593273 1008924769 /nfs/dbraw/zinc/92/47/69/1008924769.db2.gz OAXTUWWRYQBDAR-HNNXBMFYSA-N 1 0 401.463 3.908 20 5 HHBDRO COc1ccc(-c2ccc(C[N@H+](C)C3CCC(NC(C)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000543393261 1008983316 /nfs/dbraw/zinc/98/33/16/1008983316.db2.gz DRWHYQLNPBJRGU-UHFFFAOYSA-N 1 0 401.463 3.743 20 5 HHBDRO CCc1ccc([C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543399930 1008991645 /nfs/dbraw/zinc/99/16/45/1008991645.db2.gz PXDRLCPWMDTQCH-SBUREZEXSA-N 1 0 413.518 3.930 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000519885649 1009052392 /nfs/dbraw/zinc/05/23/92/1009052392.db2.gz PISKGKQXRVQUEC-QZTJIDSGSA-N 1 0 402.539 3.681 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000519885650 1009052524 /nfs/dbraw/zinc/05/25/24/1009052524.db2.gz PISKGKQXRVQUEC-ROUUACIJSA-N 1 0 402.539 3.681 20 5 HHBDRO Cc1c([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000543474995 1009065620 /nfs/dbraw/zinc/06/56/20/1009065620.db2.gz WJWFIZUZABYOLI-AWEZNQCLSA-N 1 0 411.437 3.907 20 5 HHBDRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)c(C)c2c1 ZINC000543511792 1009101671 /nfs/dbraw/zinc/10/16/71/1009101671.db2.gz FVVORVJBJNJBQJ-CQSZACIVSA-N 1 0 409.442 3.898 20 5 HHBDRO CC[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000546103703 1009127008 /nfs/dbraw/zinc/12/70/08/1009127008.db2.gz HZAYKAZCXJLERS-IBGZPJMESA-N 1 0 407.474 3.741 20 5 HHBDRO O=C(NCCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543550779 1009154061 /nfs/dbraw/zinc/15/40/61/1009154061.db2.gz YIJFERJOGHWBBB-UHFFFAOYSA-N 1 0 421.563 3.719 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000520002433 1009155078 /nfs/dbraw/zinc/15/50/78/1009155078.db2.gz BHOAXIPQQHNIOQ-LSDHHAIUSA-N 1 0 417.893 3.579 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543560579 1009167318 /nfs/dbraw/zinc/16/73/18/1009167318.db2.gz IWSMONSGTWWLGM-PXNSSMCTSA-N 1 0 401.438 3.833 20 5 HHBDRO COc1cc(-c2noc(/C=C\c3cccc([N+](=O)[O-])c3)n2)ccc1OCC[NH+](C)C ZINC000546282328 1009304470 /nfs/dbraw/zinc/30/44/70/1009304470.db2.gz MLXHPKWZXHCXGD-YFHOEESVSA-N 1 0 410.430 3.764 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](CC(C)C)N3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000520210358 1009344846 /nfs/dbraw/zinc/34/48/46/1009344846.db2.gz KAMOWXKUWMQGJN-QGZVFWFLSA-N 1 0 417.506 3.700 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000549840429 1009454677 /nfs/dbraw/zinc/45/46/77/1009454677.db2.gz XYOVWZDBLPEHNW-OAHLLOKOSA-N 1 0 411.437 3.907 20 5 HHBDRO COc1ccc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000543886427 1009462887 /nfs/dbraw/zinc/46/28/87/1009462887.db2.gz IUUAISDQIKSONC-UHFFFAOYSA-N 1 0 404.492 3.699 20 5 HHBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000520498214 1009594285 /nfs/dbraw/zinc/59/42/85/1009594285.db2.gz WRKCIHOBWHFITJ-MRXNPFEDSA-N 1 0 407.474 3.640 20 5 HHBDRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000543998528 1009599349 /nfs/dbraw/zinc/59/93/49/1009599349.db2.gz MSPMRDKRTCOLQE-GFCCVEGCSA-N 1 0 422.279 3.873 20 5 HHBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1CC[NH+](Cc2ccncc2)CC1 ZINC000544194915 1009797200 /nfs/dbraw/zinc/79/72/00/1009797200.db2.gz BPSGBIUPCHRJAO-UHFFFAOYSA-N 1 0 420.922 3.516 20 5 HHBDRO C[C@@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000520853936 1009908329 /nfs/dbraw/zinc/90/83/29/1009908329.db2.gz QGAQDLAWFDNREU-AWEZNQCLSA-N 1 0 416.444 3.652 20 5 HHBDRO CC1(C)C[N@@H+](C2(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)CCCCC2)CCO1 ZINC000520870057 1009923835 /nfs/dbraw/zinc/92/38/35/1009923835.db2.gz PNLSWLYXRRXBBW-UHFFFAOYSA-N 1 0 409.914 3.792 20 5 HHBDRO CCc1ccc([C@@H]([NH2+]C[C@H](C(C)C)N2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544367889 1009996193 /nfs/dbraw/zinc/99/61/93/1009996193.db2.gz JRFYYGRBFKAQBC-IRLDBZIGSA-N 1 0 401.507 3.786 20 5 HHBDRO COc1cc(CNC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000520947911 1010000434 /nfs/dbraw/zinc/00/04/34/1010000434.db2.gz DGAAJBHTSOPNKH-KBPBESRZSA-N 1 0 419.444 3.755 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCN2CCN(c3ccccc3)CC2)o1 ZINC000520954831 1010003584 /nfs/dbraw/zinc/00/35/84/1010003584.db2.gz ROOVCNNHOHGFHE-UHFFFAOYSA-N 1 0 406.486 3.767 20 5 HHBDRO CS(=O)(=O)Nc1cccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000520955274 1010004419 /nfs/dbraw/zinc/00/44/19/1010004419.db2.gz LVIXKCBOGOPPDB-UHFFFAOYSA-N 1 0 417.512 3.985 20 5 HHBDRO Cc1cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000550547368 1010018274 /nfs/dbraw/zinc/01/82/74/1010018274.db2.gz JKGWXHGMQWTLQK-IBGZPJMESA-N 1 0 419.485 3.940 20 5 HHBDRO NC(=O)c1ccc(NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000521012389 1010049379 /nfs/dbraw/zinc/04/93/79/1010049379.db2.gz FUGYTPDXMROCLS-QGZVFWFLSA-N 1 0 402.882 3.814 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cnn1-c1ccc(F)cc1 ZINC000544431593 1010054653 /nfs/dbraw/zinc/05/46/53/1010054653.db2.gz CPBPQJVQQIFMNI-CQSZACIVSA-N 1 0 411.437 3.826 20 5 HHBDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000544482649 1010106080 /nfs/dbraw/zinc/10/60/80/1010106080.db2.gz HXVUOBILVCTSBJ-LBPRGKRZSA-N 1 0 402.451 3.678 20 5 HHBDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000521179461 1010212808 /nfs/dbraw/zinc/21/28/08/1010212808.db2.gz POFPERGMSMDJJM-QGZVFWFLSA-N 1 0 412.490 3.623 20 5 HHBDRO COc1cc(C[NH2+]CCN2CC=C(C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000547271219 1010217027 /nfs/dbraw/zinc/21/70/27/1010217027.db2.gz JLZFUHSFQKHXPG-UHFFFAOYSA-N 1 0 411.502 3.924 20 5 HHBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000547274600 1010220625 /nfs/dbraw/zinc/22/06/25/1010220625.db2.gz HSRFFDARUKKVRW-QGZVFWFLSA-N 1 0 405.514 3.982 20 5 HHBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544847916 1010433320 /nfs/dbraw/zinc/43/33/20/1010433320.db2.gz QAYGRLYWUHNXGV-QGZVFWFLSA-N 1 0 419.428 3.933 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000521574957 1010474267 /nfs/dbraw/zinc/47/42/67/1010474267.db2.gz HZGKIXRLEPYAJQ-AWEZNQCLSA-N 1 0 423.872 3.745 20 5 HHBDRO CCc1ccc(-c2nc(-c3ccc(OCC[NH+](C)C)c(OC)c3)no2)cc1[N+](=O)[O-] ZINC000544955215 1010517945 /nfs/dbraw/zinc/51/79/45/1010517945.db2.gz LXOVACNCNPNXMV-UHFFFAOYSA-N 1 0 412.446 3.823 20 5 HHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000551410892 1010568766 /nfs/dbraw/zinc/56/87/66/1010568766.db2.gz ILUGYHCWPXWCRD-JXFKEZNVSA-N 1 0 407.474 3.565 20 5 HHBDRO CC(C)([C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000548274052 1010576104 /nfs/dbraw/zinc/57/61/04/1010576104.db2.gz UJQVXZGYYNPSTE-GOSISDBHSA-N 1 0 404.417 3.614 20 5 HHBDRO CCOc1cccc(N[C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)c1[N+](=O)[O-] ZINC000545166343 1010663345 /nfs/dbraw/zinc/66/33/45/1010663345.db2.gz SZJQZFUEOQDMQK-MRXNPFEDSA-N 1 0 401.463 3.697 20 5 HHBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000521858021 1010666869 /nfs/dbraw/zinc/66/68/69/1010666869.db2.gz PJSFAYMJHMOSCI-IBGZPJMESA-N 1 0 402.882 3.857 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000521957154 1010735646 /nfs/dbraw/zinc/73/56/46/1010735646.db2.gz UIUCPLWEXUCGTR-HUUCEWRRSA-N 1 0 405.882 3.652 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000522478971 1011037241 /nfs/dbraw/zinc/03/72/41/1011037241.db2.gz WDSDFCJVPRVHTA-UZLBHIALSA-N 1 0 404.555 3.927 20 5 HHBDRO COc1ccccc1N1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000540567226 1011226432 /nfs/dbraw/zinc/22/64/32/1011226432.db2.gz FCIYBBMYTQJGAR-UHFFFAOYSA-N 1 0 421.501 3.763 20 5 HHBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000522810609 1011243349 /nfs/dbraw/zinc/24/33/49/1011243349.db2.gz RHAUSMAUMJXUGE-KSZLIROESA-N 1 0 402.539 3.537 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000540617564 1011269392 /nfs/dbraw/zinc/26/93/92/1011269392.db2.gz NCYHJHPRTCXJFA-IBGZPJMESA-N 1 0 403.523 3.643 20 5 HHBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCCc4ccc([N+](=O)[O-])cc43)cc2)CC1 ZINC000522873057 1011315952 /nfs/dbraw/zinc/31/59/52/1011315952.db2.gz DPGZAZZAFCJKIY-UHFFFAOYSA-N 1 0 408.502 3.718 20 5 HHBDRO CC[NH+](CC)CCCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000522880970 1011325542 /nfs/dbraw/zinc/32/55/42/1011325542.db2.gz DLDDQBFBFLVGSF-UHFFFAOYSA-N 1 0 414.293 3.549 20 5 HHBDRO NC(=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCCC1 ZINC000522892377 1011338608 /nfs/dbraw/zinc/33/86/08/1011338608.db2.gz HPUMKCHLDXUSQD-UHFFFAOYSA-N 1 0 422.279 3.753 20 5 HHBDRO C[NH+](C)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n1 ZINC000523062516 1011531366 /nfs/dbraw/zinc/53/13/66/1011531366.db2.gz VZEDSVVFKSWVRZ-UHFFFAOYSA-N 1 0 411.487 3.756 20 5 HHBDRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000540961719 1011602825 /nfs/dbraw/zinc/60/28/25/1011602825.db2.gz GEJFMCZYSMEKLX-QFBILLFUSA-N 1 0 400.475 3.775 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000540998526 1011633623 /nfs/dbraw/zinc/63/36/23/1011633623.db2.gz WQZVJXQHVKLNHY-WMLDXEAASA-N 1 0 419.428 3.979 20 5 HHBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541033354 1011667047 /nfs/dbraw/zinc/66/70/47/1011667047.db2.gz OWLYHFUSKFOASJ-UHFFFAOYSA-N 1 0 407.417 3.837 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1OC ZINC000541060302 1011700570 /nfs/dbraw/zinc/70/05/70/1011700570.db2.gz OWSYWBSSYHFVGU-XYJFISCASA-N 1 0 419.522 3.519 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1OC ZINC000541060295 1011700863 /nfs/dbraw/zinc/70/08/63/1011700863.db2.gz OWSYWBSSYHFVGU-JZXOWHBKSA-N 1 0 419.522 3.519 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000536626123 1011781459 /nfs/dbraw/zinc/78/14/59/1011781459.db2.gz FEUFVRQQSLLFFD-LPHOPBHVSA-N 1 0 418.563 3.694 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000536626124 1011781670 /nfs/dbraw/zinc/78/16/70/1011781670.db2.gz FEUFVRQQSLLFFD-QFBILLFUSA-N 1 0 418.563 3.694 20 5 HHBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ccc(CC[NH+]3CCCCC3)cc2)s1 ZINC000541159715 1011820862 /nfs/dbraw/zinc/82/08/62/1011820862.db2.gz HGIVXCUDKGNTGH-UHFFFAOYSA-N 1 0 409.533 3.832 20 5 HHBDRO COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000536678874 1011841111 /nfs/dbraw/zinc/84/11/11/1011841111.db2.gz NVCOXHHOAXGATE-MRXNPFEDSA-N 1 0 414.458 3.579 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cc1[N+](=O)[O-] ZINC000551811817 1011969064 /nfs/dbraw/zinc/96/90/64/1011969064.db2.gz HCHQVFDINMQVTK-NPMXOYFQSA-N 1 0 422.485 3.979 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000541278483 1011971582 /nfs/dbraw/zinc/97/15/82/1011971582.db2.gz PVEMSQJFVVVQAK-JOCHJYFZSA-N 1 0 410.495 3.942 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000536806111 1012028651 /nfs/dbraw/zinc/02/86/51/1012028651.db2.gz MMRFUFQXPNDXDV-QGZVFWFLSA-N 1 0 417.531 3.929 20 5 HHBDRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536859970 1012094079 /nfs/dbraw/zinc/09/40/79/1012094079.db2.gz XTCQATCNOLPBCC-CJNGLKHVSA-N 1 0 411.487 3.513 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000523586629 1012140783 /nfs/dbraw/zinc/14/07/83/1012140783.db2.gz XZZQUJZUSHJIOQ-AYHJJNSGSA-N 1 0 410.474 3.921 20 5 HHBDRO C[NH+]1CCC(Oc2ccc(CNC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000552226013 1012237972 /nfs/dbraw/zinc/23/79/72/1012237972.db2.gz UAVRHYLEVNJMGA-UHFFFAOYSA-N 1 0 411.502 3.662 20 5 HHBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000552268376 1012278901 /nfs/dbraw/zinc/27/89/01/1012278901.db2.gz HHCOGGUGXWLVJF-AWEZNQCLSA-N 1 0 408.886 3.622 20 5 HHBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000552334603 1012345448 /nfs/dbraw/zinc/34/54/48/1012345448.db2.gz RDERRSDHXVINMO-QFIPXVFZSA-N 1 0 411.527 3.812 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Br)cc1 ZINC000537044701 1012364436 /nfs/dbraw/zinc/36/44/36/1012364436.db2.gz RVJIUDNRWPWBOH-GFCCVEGCSA-N 1 0 404.264 3.597 20 5 HHBDRO CC1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000541581826 1012372680 /nfs/dbraw/zinc/37/26/80/1012372680.db2.gz AYAJGFFMXPSLAK-UHFFFAOYSA-N 1 0 422.529 3.546 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000541620271 1012429276 /nfs/dbraw/zinc/42/92/76/1012429276.db2.gz LWEJVWROHPQRCX-IBGZPJMESA-N 1 0 403.454 3.928 20 5 HHBDRO COc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1[N+](=O)[O-] ZINC000552414756 1012431102 /nfs/dbraw/zinc/43/11/02/1012431102.db2.gz BKTNDZKUTSOUCE-MRXNPFEDSA-N 1 0 405.401 3.699 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000537087778 1012442204 /nfs/dbraw/zinc/44/22/04/1012442204.db2.gz GRWGJLITPBTHPB-CQSZACIVSA-N 1 0 417.462 3.608 20 5 HHBDRO C[C@H](NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1[N+](=O)[O-] ZINC000537097259 1012459615 /nfs/dbraw/zinc/45/96/15/1012459615.db2.gz HMDYTJUPEOTXQU-KSZLIROESA-N 1 0 418.538 3.577 20 5 HHBDRO COc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c([N+](=O)[O-])c1 ZINC000552441734 1012461577 /nfs/dbraw/zinc/46/15/77/1012461577.db2.gz VDDGQQGPOOLRTF-INIZCTEOSA-N 1 0 405.401 3.699 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(-c2cccnc2)cc1 ZINC000537133182 1012519213 /nfs/dbraw/zinc/51/92/13/1012519213.db2.gz JMURXFMOWUDFQU-MRXNPFEDSA-N 1 0 402.454 3.897 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541702419 1012551259 /nfs/dbraw/zinc/55/12/59/1012551259.db2.gz ZGEHMJXTHMHFKE-APWZRJJASA-N 1 0 417.437 3.533 20 5 HHBDRO C[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1cccc(N2CCCC2)c1 ZINC000537174839 1012581579 /nfs/dbraw/zinc/58/15/79/1012581579.db2.gz GIAWMGOXVTYIOJ-MRXNPFEDSA-N 1 0 410.474 3.844 20 5 HHBDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000541742919 1012599933 /nfs/dbraw/zinc/59/99/33/1012599933.db2.gz VPVOGHNAQIOHNU-LEWJYISDSA-N 1 0 402.516 3.820 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000552614681 1012618457 /nfs/dbraw/zinc/61/84/57/1012618457.db2.gz GFVQGAIHAZTMIQ-LJQANCHMSA-N 1 0 417.456 3.753 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000523954093 1012694759 /nfs/dbraw/zinc/69/47/59/1012694759.db2.gz NNERNWNJCKUMEI-UHFFFAOYSA-N 1 0 421.881 3.733 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000537265185 1012717410 /nfs/dbraw/zinc/71/74/10/1012717410.db2.gz YLUMSDQEEMNAGY-OMUFJYGLSA-N 1 0 401.894 3.925 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000552717469 1012727972 /nfs/dbraw/zinc/72/79/72/1012727972.db2.gz MVOCBBZUAMHLBO-OAHLLOKOSA-N 1 0 401.463 3.706 20 5 HHBDRO CN(c1ccccc1)c1ccc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000524067497 1012827892 /nfs/dbraw/zinc/82/78/92/1012827892.db2.gz VFOZBLTVMNHQIM-HXUWFJFHSA-N 1 0 424.545 3.953 20 5 HHBDRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000524122158 1012900148 /nfs/dbraw/zinc/90/01/48/1012900148.db2.gz FWUJHBHLCGUBNL-MJGOQNOKSA-N 1 0 417.531 3.577 20 5 HHBDRO O=[N+]([O-])c1cc(I)cc(CN2CC[C@H](Nc3ccccc3)C2)c1 ZINC000568685155 1071804699 /nfs/dbraw/zinc/80/46/99/1071804699.db2.gz ZLTVLNZXJRLKJL-INIZCTEOSA-N 1 0 423.254 3.886 20 5 HHBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@H]4CCCCN4[C@H]4CC[NH2+]C4)n3)nc12 ZINC001212100161 1072086059 /nfs/dbraw/zinc/08/60/59/1072086059.db2.gz ASLYCYGOIUJNLI-PKOBYXMFSA-N 1 0 400.486 3.722 20 5 HHBDRO C[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571493305 1072640272 /nfs/dbraw/zinc/64/02/72/1072640272.db2.gz KTVREZYGBKCYSI-HRAATJIYSA-N 1 0 424.501 3.503 20 5 HHBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000571699240 1072700450 /nfs/dbraw/zinc/70/04/50/1072700450.db2.gz OXSOWJVVEAXRHK-KRWDZBQOSA-N 1 0 424.501 3.724 20 5 HHBDRO Nc1cc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000588043201 1072747951 /nfs/dbraw/zinc/74/79/51/1072747951.db2.gz YGLPNJVDKPLNIA-JTHBVZDNSA-N 1 0 418.497 3.749 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000588116394 1072808704 /nfs/dbraw/zinc/80/87/04/1072808704.db2.gz SENORULTRASDTN-HXUWFJFHSA-N 1 0 410.518 3.691 20 5 HHBDRO C[C@@H]1C[C@@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000588930585 1073346915 /nfs/dbraw/zinc/34/69/15/1073346915.db2.gz NVKCDHTYXUWTBX-WBVHZDCISA-N 1 0 417.456 3.927 20 5 HHBDRO C[N@@H+]1C[C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[C@@H]2C1 ZINC000590052391 1073509615 /nfs/dbraw/zinc/50/96/15/1073509615.db2.gz BASXFTPZGANSDO-SJKOYZFVSA-N 1 0 406.280 3.753 20 5 HHBDRO CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000590174285 1073661326 /nfs/dbraw/zinc/66/13/26/1073661326.db2.gz HRRNMZMYUBQJGC-FQEVSTJZSA-N 1 0 423.435 3.682 20 5 HHBDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000590388244 1073808499 /nfs/dbraw/zinc/80/84/99/1073808499.db2.gz CBRURDFMBGCMPT-UHFFFAOYSA-N 1 0 412.490 3.791 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)CC(C)C ZINC000760839500 1074390813 /nfs/dbraw/zinc/39/08/13/1074390813.db2.gz YEBVBWNOLOXKJE-ZDUSSCGKSA-N 1 0 400.317 3.844 20 5 HHBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1O2 ZINC000591720075 1074482056 /nfs/dbraw/zinc/48/20/56/1074482056.db2.gz XDHUDKZGUDQHPN-IBGZPJMESA-N 1 0 424.501 3.501 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000574507273 1075286459 /nfs/dbraw/zinc/28/64/59/1075286459.db2.gz RKYPCNLSNYWXOH-IBGZPJMESA-N 1 0 400.479 3.517 20 5 HHBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164621833 719059850 /nfs/dbraw/zinc/05/98/50/719059850.db2.gz HXXZVUDOAIMSCE-CABCVRRESA-N 1 0 419.938 3.861 20 5 HHBDRO COc1cc2ncnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2cc1[N+](=O)[O-] ZINC001164620455 719079665 /nfs/dbraw/zinc/07/96/65/719079665.db2.gz FBLTZBRZIAKZMZ-UTKZUKDTSA-N 1 0 419.485 3.647 20 5 HHBDRO CN(C)/C=C/c1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001164625998 719096145 /nfs/dbraw/zinc/09/61/45/719096145.db2.gz HWKPKRFNTXTCKP-GCWDSMLCSA-N 1 0 407.518 3.623 20 5 HHBDRO CCOc1nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC001164691537 719811925 /nfs/dbraw/zinc/81/19/25/719811925.db2.gz GMLIHUNQLKQQQY-UHFFFAOYSA-N 1 0 417.535 3.788 20 5 HHBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694989 719888080 /nfs/dbraw/zinc/88/80/80/719888080.db2.gz IWDHGEIXZRZEHZ-UHFFFAOYSA-N 1 0 408.911 3.576 20 5 HHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC[C@@H]21 ZINC001164839279 720538866 /nfs/dbraw/zinc/53/88/66/720538866.db2.gz PSRBYTSVSROREH-LQWHRVPQSA-N 1 0 420.517 3.717 20 5 HHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])CC[C@@H]21 ZINC001164836332 720570252 /nfs/dbraw/zinc/57/02/52/720570252.db2.gz JOOXSIBSFHVNJR-ZJOUEHCJSA-N 1 0 420.517 3.717 20 5 HHBDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836329 720571417 /nfs/dbraw/zinc/57/14/17/720571417.db2.gz JOOXSIBSFHVNJR-SVFBPWRDSA-N 1 0 420.517 3.717 20 5 HHBDRO COc1nc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)ncc1[N+](=O)[O-] ZINC001164767803 721041435 /nfs/dbraw/zinc/04/14/35/721041435.db2.gz TVBUQTLUGHSPJX-UHFFFAOYSA-N 1 0 411.506 3.584 20 5 HHBDRO O=[N+]([O-])c1ccc2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2c1 ZINC001164906804 721526092 /nfs/dbraw/zinc/52/60/92/721526092.db2.gz LJZUMTWTNMWKIG-ICSRJNTNSA-N 1 0 408.433 3.624 20 5 HHBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001165020365 721838102 /nfs/dbraw/zinc/83/81/02/721838102.db2.gz INLHJERUSKWGHV-UHFFFAOYSA-N 1 0 420.897 3.761 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C1 ZINC000301180801 970791281 /nfs/dbraw/zinc/79/12/81/970791281.db2.gz NCFDQFQUROVAPI-GASCZTMLSA-N 1 0 419.913 3.574 20 5 HHBDRO O=[N+]([O-])c1cc(I)ccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000301335314 970874497 /nfs/dbraw/zinc/87/44/97/970874497.db2.gz BVOAHOPDNHMTLL-AWEZNQCLSA-N 1 0 415.275 3.654 20 5 HHBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000301468200 970943861 /nfs/dbraw/zinc/94/38/61/970943861.db2.gz YZAFHEZGNNUDOK-QGZVFWFLSA-N 1 0 410.474 3.652 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000301513740 970962994 /nfs/dbraw/zinc/96/29/94/970962994.db2.gz FVNHBYZKRZYXSQ-APWZRJJASA-N 1 0 410.474 3.874 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])c4cnccc34)C2)cc(OC)c1 ZINC000301580219 970988545 /nfs/dbraw/zinc/98/85/45/970988545.db2.gz SKNOKDTUUJPJAV-INIZCTEOSA-N 1 0 408.458 3.847 20 5 HHBDRO C[C@H]1C[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000301611804 971002183 /nfs/dbraw/zinc/00/21/83/971002183.db2.gz FBXNIDGXMOTHCH-LPHOPBHVSA-N 1 0 419.485 3.634 20 5 HHBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000301703403 971035145 /nfs/dbraw/zinc/03/51/45/971035145.db2.gz UPGGMNJJNRCJEP-HNNXBMFYSA-N 1 0 405.296 3.711 20 5 HHBDRO CC1CC[NH+](C2CCC(Nc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000301939820 971126319 /nfs/dbraw/zinc/12/63/19/971126319.db2.gz UAKMFKDAYXSDSD-UHFFFAOYSA-N 1 0 401.554 3.515 20 5 HHBDRO CCN1CC[C@H](Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302003543 971149763 /nfs/dbraw/zinc/14/97/63/971149763.db2.gz YGTWCGIBDRCWRW-HKUYNNGSSA-N 1 0 420.872 3.994 20 5 HHBDRO CNC(=O)c1ccc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000302183260 971200472 /nfs/dbraw/zinc/20/04/72/971200472.db2.gz SKWZWXIVULUXPG-SLFFLAALSA-N 1 0 408.502 3.667 20 5 HHBDRO Cc1cc(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302388070 971231389 /nfs/dbraw/zinc/23/13/89/971231389.db2.gz BDIYEDRXCOVHSJ-HSZRJFAPSA-N 1 0 406.486 3.525 20 5 HHBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000302672852 971276493 /nfs/dbraw/zinc/27/64/93/971276493.db2.gz SGHNPXFQLLKQTE-UHFFFAOYSA-N 1 0 417.531 3.986 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000302795697 971321545 /nfs/dbraw/zinc/32/15/45/971321545.db2.gz ZVLUGGCCRFYPJB-UHFFFAOYSA-N 1 0 403.866 3.651 20 5 HHBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000524264461 1013077452 /nfs/dbraw/zinc/07/74/52/1013077452.db2.gz JWJPZEXIUAEMES-UHFFFAOYSA-N 1 0 423.517 3.953 20 5 HHBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000303190505 971551919 /nfs/dbraw/zinc/55/19/19/971551919.db2.gz MMTHGZIDRHYOAR-QGZVFWFLSA-N 1 0 400.504 3.809 20 5 HHBDRO Cc1ccnc(OC2CC[NH+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000542184681 1013124624 /nfs/dbraw/zinc/12/46/24/1013124624.db2.gz IALRURJDIQGDQA-UHFFFAOYSA-N 1 0 407.474 3.742 20 5 HHBDRO COc1ccc([C@H](C[NH+]2CCCC2)Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)cc1 ZINC000553182817 1013141170 /nfs/dbraw/zinc/14/11/70/1013141170.db2.gz YPYPRIXMWONILH-IBGZPJMESA-N 1 0 409.446 3.501 20 5 HHBDRO CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC1CCN(c2ccccn2)CC1 ZINC000537616705 1013157784 /nfs/dbraw/zinc/15/77/84/1013157784.db2.gz WFBSHBYELRUNMD-UHFFFAOYSA-N 1 0 414.506 3.746 20 5 HHBDRO CCc1nc(C)c([C@H](C)[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000303849728 972389611 /nfs/dbraw/zinc/38/96/11/972389611.db2.gz DIDKBHHYEFNUMH-ZDUSSCGKSA-N 1 0 406.508 3.952 20 5 HHBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000303871807 972413115 /nfs/dbraw/zinc/41/31/15/972413115.db2.gz XQCOGDIWOKRMOP-IEBWSBKVSA-N 1 0 417.531 3.577 20 5 HHBDRO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)CC1 ZINC000537658993 1013219224 /nfs/dbraw/zinc/21/92/24/1013219224.db2.gz FJJNPEABCZTCBF-UHFFFAOYSA-N 1 0 412.534 3.845 20 5 HHBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542280957 1013241461 /nfs/dbraw/zinc/24/14/61/1013241461.db2.gz YTXDVAARJALHCK-HXUWFJFHSA-N 1 0 408.495 3.707 20 5 HHBDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000537681367 1013242417 /nfs/dbraw/zinc/24/24/17/1013242417.db2.gz BKTPOJKKUMJMQG-IBGZPJMESA-N 1 0 406.870 3.727 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000553294706 1013251919 /nfs/dbraw/zinc/25/19/19/1013251919.db2.gz JJAAJTRLHJZULT-IYBDPMFKSA-N 1 0 412.490 3.866 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1 ZINC000553299616 1013256619 /nfs/dbraw/zinc/25/66/19/1013256619.db2.gz MSFBKPOETLPHFB-IYBDPMFKSA-N 1 0 412.490 3.866 20 5 HHBDRO Cc1c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000010456727 961825460 /nfs/dbraw/zinc/82/54/60/961825460.db2.gz UMQQUMCHNLRURV-UHFFFAOYSA-N 1 0 412.446 3.727 20 5 HHBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000537823199 1013386406 /nfs/dbraw/zinc/38/64/06/1013386406.db2.gz LVLQFJRXPKISDS-UHFFFAOYSA-N 1 0 423.517 3.625 20 5 HHBDRO CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000023745355 963883643 /nfs/dbraw/zinc/88/36/43/963883643.db2.gz ZLGSFGFSLGRTIK-UHFFFAOYSA-N 1 0 420.535 3.562 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000023985214 963915401 /nfs/dbraw/zinc/91/54/01/963915401.db2.gz XXPFERXEROKIET-GOSISDBHSA-N 1 0 403.866 3.824 20 5 HHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1 ZINC000024140258 963947703 /nfs/dbraw/zinc/94/77/03/963947703.db2.gz IVEQTNDGFIFDSP-UHFFFAOYSA-N 1 0 400.435 3.583 20 5 HHBDRO O=[N+]([O-])c1cccc2ncnc(NCCCC[NH+]3CCN(c4ccccc4)CC3)c21 ZINC000542519804 1013463845 /nfs/dbraw/zinc/46/38/45/1013463845.db2.gz OBPMONIZNVZXJK-UHFFFAOYSA-N 1 0 406.490 3.552 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1OC ZINC000025379194 964258545 /nfs/dbraw/zinc/25/85/45/964258545.db2.gz JSGPUMIOIXKXCP-UHFFFAOYSA-N 1 0 413.474 3.528 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccs1 ZINC000050551421 964352052 /nfs/dbraw/zinc/35/20/52/964352052.db2.gz SLYFBWXJGWGGJH-OAHLLOKOSA-N 1 0 402.501 3.813 20 5 HHBDRO CC[NH+](CC)CC1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000050628807 964368012 /nfs/dbraw/zinc/36/80/12/964368012.db2.gz VFYWCZHUEBWZSH-UHFFFAOYSA-N 1 0 402.520 3.912 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000553608742 1013495579 /nfs/dbraw/zinc/49/55/79/1013495579.db2.gz NPIFTSKKPJYINL-GHTZIAJQSA-N 1 0 410.518 3.832 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000553608743 1013495356 /nfs/dbraw/zinc/49/53/56/1013495356.db2.gz NPIFTSKKPJYINL-NQIIRXRSSA-N 1 0 410.518 3.832 20 5 HHBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000026224296 964490948 /nfs/dbraw/zinc/49/09/48/964490948.db2.gz VWRORAIORKSDOD-UHFFFAOYSA-N 1 0 409.389 3.665 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000026226459 964492503 /nfs/dbraw/zinc/49/25/03/964492503.db2.gz VDYOBRYKAMEZLO-UHFFFAOYSA-N 1 0 407.854 3.596 20 5 HHBDRO COc1ccc(NC(=O)CC[N@H+](C)CCOc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000026337000 964529239 /nfs/dbraw/zinc/52/92/39/964529239.db2.gz QZAGXUHEPJHYLF-UHFFFAOYSA-N 1 0 407.854 3.596 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000026340960 964530438 /nfs/dbraw/zinc/53/04/38/964530438.db2.gz HFROLICCVGQSHE-QGZVFWFLSA-N 1 0 410.474 3.583 20 5 HHBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC(F)F ZINC000026453632 964570410 /nfs/dbraw/zinc/57/04/10/964570410.db2.gz GXFJEOJUSHMWCL-UHFFFAOYSA-N 1 0 423.416 3.974 20 5 HHBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC(F)F ZINC000026453635 964570606 /nfs/dbraw/zinc/57/06/06/964570606.db2.gz CQPFFVUXMZJFEP-UHFFFAOYSA-N 1 0 409.389 3.665 20 5 HHBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC(F)F ZINC000026453628 964570690 /nfs/dbraw/zinc/57/06/90/964570690.db2.gz GZMODABQIJOOFO-UHFFFAOYSA-N 1 0 423.416 3.974 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000052245004 964848934 /nfs/dbraw/zinc/84/89/34/964848934.db2.gz UBBDKZUGVHLFKW-MRXNPFEDSA-N 1 0 417.531 3.985 20 5 HHBDRO O=C(NC1CC1)c1ccc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000052467235 964914988 /nfs/dbraw/zinc/91/49/88/964914988.db2.gz ZFXUIYCNZIZCBH-UHFFFAOYSA-N 1 0 412.465 3.703 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)N2CCC(C[NH+]3CCCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000052713738 964959970 /nfs/dbraw/zinc/95/99/70/964959970.db2.gz OTHKRYXYUIFXBJ-KRWDZBQOSA-N 1 0 418.538 3.518 20 5 HHBDRO CCOc1ccc(NC(=O)CN2CCC(C[NH+]3CCCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000052713502 964960374 /nfs/dbraw/zinc/96/03/74/964960374.db2.gz BOACKBTWJGXHIL-UHFFFAOYSA-N 1 0 418.538 3.520 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cccc1[N+](=O)[O-] ZINC000028351259 965082983 /nfs/dbraw/zinc/08/29/83/965082983.db2.gz FJEUBTXOFSVPSI-HUUCEWRRSA-N 1 0 410.474 3.930 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)cc1[N+](=O)[O-] ZINC000537969460 1013546905 /nfs/dbraw/zinc/54/69/05/1013546905.db2.gz AFJRBCSSUFPZJW-DLBZAZTESA-N 1 0 423.469 3.691 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000030001674 965590722 /nfs/dbraw/zinc/59/07/22/965590722.db2.gz GQJWLDAJKUFCDN-GASCZTMLSA-N 1 0 400.435 3.724 20 5 HHBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1 ZINC000054667716 965601139 /nfs/dbraw/zinc/60/11/39/965601139.db2.gz PEXYWCVRZPTKEG-IBGZPJMESA-N 1 0 405.838 3.902 20 5 HHBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000058276782 965672240 /nfs/dbraw/zinc/67/22/40/965672240.db2.gz RUBZCIZYROIXSP-FGTMMUONSA-N 1 0 402.539 3.539 20 5 HHBDRO C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000030507570 965710807 /nfs/dbraw/zinc/71/08/07/965710807.db2.gz QBPFZPWBYWVUPP-HNNXBMFYSA-N 1 0 417.893 3.913 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000553796102 1013621017 /nfs/dbraw/zinc/62/10/17/1013621017.db2.gz LOESEQNHKGYDJQ-QFIPXVFZSA-N 1 0 411.458 3.564 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000055870073 966111341 /nfs/dbraw/zinc/11/13/41/966111341.db2.gz ICUMMDNOAVHPCX-IRXDYDNUSA-N 1 0 412.490 3.563 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000055870060 966111365 /nfs/dbraw/zinc/11/13/65/966111365.db2.gz OATYAWNRAXAXSJ-IAGOWNOFSA-N 1 0 412.490 3.563 20 5 HHBDRO CC1CC[NH+]([C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000060451873 966150029 /nfs/dbraw/zinc/15/00/29/966150029.db2.gz PBFZSCBEKYADDO-NRFANRHFSA-N 1 0 407.474 3.716 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)C1 ZINC000060643376 966241164 /nfs/dbraw/zinc/24/11/64/966241164.db2.gz JEYHZBJTNOYSCR-OAHLLOKOSA-N 1 0 412.446 3.665 20 5 HHBDRO CCOc1ccc(C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000032516470 966276594 /nfs/dbraw/zinc/27/65/94/966276594.db2.gz VRHXQWSMHBMGDE-HXUWFJFHSA-N 1 0 413.474 3.569 20 5 HHBDRO CCOc1ccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000032516449 966276987 /nfs/dbraw/zinc/27/69/87/966276987.db2.gz IHMIFHAWZOBRHZ-IBGZPJMESA-N 1 0 413.474 3.569 20 5 HHBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000056332888 966305942 /nfs/dbraw/zinc/30/59/42/966305942.db2.gz NTYJWTYKNJEDIQ-UHFFFAOYSA-N 1 0 405.458 3.671 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000056458997 966345026 /nfs/dbraw/zinc/34/50/26/966345026.db2.gz LNXDYMTVBJHXRP-HXUWFJFHSA-N 1 0 412.490 3.630 20 5 HHBDRO CC(C)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000061108337 966372910 /nfs/dbraw/zinc/37/29/10/966372910.db2.gz LYIBXCQWGNBOGR-UHFFFAOYSA-N 1 0 417.531 3.793 20 5 HHBDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000062488647 966690056 /nfs/dbraw/zinc/69/00/56/966690056.db2.gz BGFUSCLKGQLCHS-CQSZACIVSA-N 1 0 406.433 3.707 20 5 HHBDRO C[NH+]1CCN(C[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CC1 ZINC000542774228 1013676015 /nfs/dbraw/zinc/67/60/15/1013676015.db2.gz UXNRKRFACKFWAM-LJQANCHMSA-N 1 0 419.323 3.758 20 5 HHBDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000063389067 966839126 /nfs/dbraw/zinc/83/91/26/966839126.db2.gz IYSUPTWHYDOSSK-UHFFFAOYSA-N 1 0 412.490 3.946 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000538118637 1013680191 /nfs/dbraw/zinc/68/01/91/1013680191.db2.gz MUOBOPREXBRCCR-RYUDHWBXSA-N 1 0 409.389 3.883 20 5 HHBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063467174 966868364 /nfs/dbraw/zinc/86/83/64/966868364.db2.gz WOTMIIBTOORMKP-UHFFFAOYSA-N 1 0 411.506 3.509 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000043149383 966918823 /nfs/dbraw/zinc/91/88/23/966918823.db2.gz IQRHZNIBHKFVTC-CALCHBBNSA-N 1 0 412.490 3.834 20 5 HHBDRO CNC(=O)c1ccc(NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000064904815 967323787 /nfs/dbraw/zinc/32/37/87/967323787.db2.gz SXLLYPARVTUFBE-GOSISDBHSA-N 1 0 402.520 3.901 20 5 HHBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064908156 967325618 /nfs/dbraw/zinc/32/56/18/967325618.db2.gz OLAFEERPFMBAHZ-UHFFFAOYSA-N 1 0 422.510 3.897 20 5 HHBDRO Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1[N+](=O)[O-] ZINC000045941399 967601927 /nfs/dbraw/zinc/60/19/27/967601927.db2.gz PQQAJCSPBSJYAE-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO C[C@H]([NH2+]CC(=O)NCc1cccc(OCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000538175358 1013734085 /nfs/dbraw/zinc/73/40/85/1013734085.db2.gz BXLKWIWUFPAMQX-ZDUSSCGKSA-N 1 0 411.380 3.503 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccc(CNc3nc4sccn4c3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000047511384 968217500 /nfs/dbraw/zinc/21/75/00/968217500.db2.gz KTAJDOQSVLZODD-KBPBESRZSA-N 1 0 401.492 3.525 20 5 HHBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000554129105 1013811112 /nfs/dbraw/zinc/81/11/12/1013811112.db2.gz YYWAKLWYBIAKTE-BBTUJRGHSA-N 1 0 414.550 3.633 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000538278731 1013816812 /nfs/dbraw/zinc/81/68/12/1013816812.db2.gz BLDXIJPBXGYZTQ-CJNGLKHVSA-N 1 0 409.280 3.756 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000575 968764588 /nfs/dbraw/zinc/76/45/88/968764588.db2.gz HMIUPWJOBXTSER-CQSZACIVSA-N 1 0 409.533 3.509 20 5 HHBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000071894754 968882884 /nfs/dbraw/zinc/88/28/84/968882884.db2.gz ASQSKCVEWCELNK-UHFFFAOYSA-N 1 0 407.558 3.981 20 5 HHBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000072010854 968931347 /nfs/dbraw/zinc/93/13/47/968931347.db2.gz HXZJSGOJCTVWIO-KRWDZBQOSA-N 1 0 424.501 3.584 20 5 HHBDRO CC[NH+]1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])c4cnccc34)cc2)CC1 ZINC000107657665 969322704 /nfs/dbraw/zinc/32/27/04/969322704.db2.gz SYXUEIZWYUSBMP-UHFFFAOYSA-N 1 0 405.502 3.893 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000108081732 969355977 /nfs/dbraw/zinc/35/59/77/969355977.db2.gz RPSCWDMRJVHGCP-UHFFFAOYSA-N 1 0 407.820 3.816 20 5 HHBDRO COc1cccc([C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[NH+]2CCCC2)c1 ZINC000109331649 969500197 /nfs/dbraw/zinc/50/01/97/969500197.db2.gz IWDHEKKWPSIEBA-QFIPXVFZSA-N 1 0 422.485 3.511 20 5 HHBDRO CCOc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1[N+](=O)[O-] ZINC000109484342 969523826 /nfs/dbraw/zinc/52/38/26/969523826.db2.gz FFKCTJNOGQAVBG-UHFFFAOYSA-N 1 0 401.488 3.795 20 5 HHBDRO CC(C)[C@@H](CO)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000112656923 969821942 /nfs/dbraw/zinc/82/19/42/969821942.db2.gz XGMYFYYXCWNTPZ-LJQANCHMSA-N 1 0 405.882 3.706 20 5 HHBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000115581109 969842994 /nfs/dbraw/zinc/84/29/94/969842994.db2.gz OGLYPHWUTBOSPA-QGZVFWFLSA-N 1 0 402.539 3.776 20 5 HHBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000115844460 969856978 /nfs/dbraw/zinc/85/69/78/969856978.db2.gz AMODAEVSWMQTHZ-VNHYZAJKSA-N 1 0 415.943 3.583 20 5 HHBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000213972604 970042426 /nfs/dbraw/zinc/04/24/26/970042426.db2.gz UNZFQNGLUSBZKC-FLIBITNWSA-N 1 0 406.486 3.779 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)[NH2+]CC2(c3ccc(F)cc3)CCOCC2)cccc1[N+](=O)[O-] ZINC000140270566 970071175 /nfs/dbraw/zinc/07/11/75/970071175.db2.gz NYSVWCYTLPDNFF-MRXNPFEDSA-N 1 0 415.465 3.707 20 5 HHBDRO Cc1ccccc1C1(C[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000140435296 970076459 /nfs/dbraw/zinc/07/64/59/970076459.db2.gz RZWIZTYVVNBPGN-SFHVURJKSA-N 1 0 411.502 3.877 20 5 HHBDRO C[NH+](C)CCOc1cccc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000236981003 970199096 /nfs/dbraw/zinc/19/90/96/970199096.db2.gz LXGGIFVIILGSNL-UHFFFAOYSA-N 1 0 412.515 3.949 20 5 HHBDRO CN(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000237022689 970208775 /nfs/dbraw/zinc/20/87/75/970208775.db2.gz UDIPTVRJVLOXHI-LJQANCHMSA-N 1 0 415.444 3.666 20 5 HHBDRO CCOc1cc(C[NH2+][C@H]2CCC[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000237025142 970209141 /nfs/dbraw/zinc/20/91/41/970209141.db2.gz KCXPGPIKKKWRRF-QAPCUYQASA-N 1 0 402.495 3.856 20 5 HHBDRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000237234241 970246422 /nfs/dbraw/zinc/24/64/22/970246422.db2.gz GZRDZFPTOPCUKI-UHFFFAOYSA-N 1 0 408.424 3.655 20 5 HHBDRO COc1cc2c(cc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 ZINC000237299635 970258586 /nfs/dbraw/zinc/25/85/86/970258586.db2.gz PYOYGXMFPKQDKN-AWEZNQCLSA-N 1 0 408.458 3.617 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2c3ccccc3C[C@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237322794 970262033 /nfs/dbraw/zinc/26/20/33/970262033.db2.gz KKJIZBITKBYRLW-QPPBQGQZSA-N 1 0 420.465 3.930 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237367095 970271040 /nfs/dbraw/zinc/27/10/40/970271040.db2.gz KKJIZBITKBYRLW-XUZZJYLKSA-N 1 0 420.465 3.930 20 5 HHBDRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000237449781 970290919 /nfs/dbraw/zinc/29/09/19/970290919.db2.gz DTXDALYIZMGCLC-UHFFFAOYSA-N 1 0 418.400 3.895 20 5 HHBDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000237486380 970297787 /nfs/dbraw/zinc/29/77/87/970297787.db2.gz KHVQEVGPBVDZHF-NSHDSACASA-N 1 0 416.858 3.702 20 5 HHBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)NCc1ccco1 ZINC000237555968 970312270 /nfs/dbraw/zinc/31/22/70/970312270.db2.gz OZQHDPNDNSVKKB-AWEZNQCLSA-N 1 0 413.405 3.914 20 5 HHBDRO Cn1cc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237751754 970354194 /nfs/dbraw/zinc/35/41/94/970354194.db2.gz ABMRELHJVYVPAU-UHFFFAOYSA-N 1 0 405.502 3.750 20 5 HHBDRO Cn1cc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237785352 970366809 /nfs/dbraw/zinc/36/68/09/970366809.db2.gz IDRYVHVVSQNOCF-OAQYLSRUSA-N 1 0 405.502 3.750 20 5 HHBDRO Cc1ccc(Sc2ccc(CNC[C@@H](O)C[NH+]3CCCC3)cc2[N+](=O)[O-])cc1 ZINC000237872556 970385741 /nfs/dbraw/zinc/38/57/41/970385741.db2.gz BRKRHMQBEVTFSF-GOSISDBHSA-N 1 0 401.532 3.601 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@H](O)C3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000237872874 970385878 /nfs/dbraw/zinc/38/58/78/970385878.db2.gz FZBQAQASFPPSLM-FQEVSTJZSA-N 1 0 402.516 3.932 20 5 HHBDRO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000237920387 970395711 /nfs/dbraw/zinc/39/57/11/970395711.db2.gz PSNPFEUXTZEFTE-NEPJUHHUSA-N 1 0 422.279 3.751 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)C2CCOCC2)ccc1Oc1ccccc1Cl ZINC000237962893 970406404 /nfs/dbraw/zinc/40/64/04/970406404.db2.gz LWWYJQJKBIREAM-GOSISDBHSA-N 1 0 406.866 3.918 20 5 HHBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1[N+](=O)[O-] ZINC000554719943 1014030945 /nfs/dbraw/zinc/03/09/45/1014030945.db2.gz CWYDXKXIHMMOBH-MRXNPFEDSA-N 1 0 423.560 3.723 20 5 HHBDRO O=[N+]([O-])c1cc(Br)cnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311984097 972628859 /nfs/dbraw/zinc/62/88/59/972628859.db2.gz OVWSEWMRNMBVCD-JKSUJKDBSA-N 1 0 417.307 3.711 20 5 HHBDRO O=C(CC[NH+]1CCC(Oc2ccc(F)cc2F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000409858127 973327255 /nfs/dbraw/zinc/32/72/55/973327255.db2.gz WEFSSUNJVAKYCV-UHFFFAOYSA-N 1 0 405.401 3.745 20 5 HHBDRO O=C(CC[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000409864677 973332951 /nfs/dbraw/zinc/33/29/51/973332951.db2.gz OMKDIPSIGYEKMQ-UHFFFAOYSA-N 1 0 416.909 3.785 20 5 HHBDRO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000410148190 973634019 /nfs/dbraw/zinc/63/40/19/973634019.db2.gz PTIUOYZYRIXTPF-UHFFFAOYSA-N 1 0 404.470 3.775 20 5 HHBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000425953079 974058348 /nfs/dbraw/zinc/05/83/48/974058348.db2.gz JFCPMHYCWHEZPP-CQSZACIVSA-N 1 0 416.444 3.781 20 5 HHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(-n4cnc5ccccc54)cc3)CC2)n1 ZINC000425969196 974073497 /nfs/dbraw/zinc/07/34/97/974073497.db2.gz WBFUXLYJOAZDIM-UHFFFAOYSA-N 1 0 402.458 3.967 20 5 HHBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000426273447 974362180 /nfs/dbraw/zinc/36/21/80/974362180.db2.gz HBVHSYZEXZNZLK-MRXNPFEDSA-N 1 0 414.428 3.774 20 5 HHBDRO C[C@@H]1C[NH+](CCC2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)C[C@@H](C)O1 ZINC000426390925 974428203 /nfs/dbraw/zinc/42/82/03/974428203.db2.gz NCLSDNAIXJMZLP-HUUCEWRRSA-N 1 0 413.465 3.912 20 5 HHBDRO COc1ccc(-c2ccc(CN3CC[N@@H+](C4CCOCC4)C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000426552259 974523396 /nfs/dbraw/zinc/52/33/96/974523396.db2.gz JEEOSNCXWYOESE-MRXNPFEDSA-N 1 0 415.490 3.549 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000426870374 974722579 /nfs/dbraw/zinc/72/25/79/974722579.db2.gz BWRXXGMXULTMMM-KRWDZBQOSA-N 1 0 403.504 3.868 20 5 HHBDRO COc1cc(Br)ccc1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000427842950 975317195 /nfs/dbraw/zinc/31/71/95/975317195.db2.gz LGXGERWENFKYTK-GFCCVEGCSA-N 1 0 422.279 3.873 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccccc1 ZINC000427915418 975347521 /nfs/dbraw/zinc/34/75/21/975347521.db2.gz TWKBREUWJZIHGY-HXUWFJFHSA-N 1 0 422.485 3.721 20 5 HHBDRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000428534594 975830482 /nfs/dbraw/zinc/83/04/82/975830482.db2.gz GDEZJFVYZWUBCZ-LJQANCHMSA-N 1 0 413.477 3.500 20 5 HHBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000428775077 976047162 /nfs/dbraw/zinc/04/71/62/976047162.db2.gz WYFYCQUMUCNNDZ-QRQCRPRQSA-N 1 0 422.441 3.523 20 5 HHBDRO Cc1c(NC(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000429224560 976517611 /nfs/dbraw/zinc/51/76/11/976517611.db2.gz XUAJWZPFFWNXFP-IYBDPMFKSA-N 1 0 404.511 3.646 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429226419 976518611 /nfs/dbraw/zinc/51/86/11/976518611.db2.gz KXHVOJBXXZJINL-INIZCTEOSA-N 1 0 400.454 3.582 20 5 HHBDRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429275503 976560825 /nfs/dbraw/zinc/56/08/25/976560825.db2.gz QWMIGSMRUSURGL-KRWDZBQOSA-N 1 0 418.291 3.869 20 5 HHBDRO C[C@H]([NH2+][C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000429311210 976582474 /nfs/dbraw/zinc/58/24/74/976582474.db2.gz YJJGTPGTWABZSE-SWLSCSKDSA-N 1 0 424.482 3.508 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000429458917 976732595 /nfs/dbraw/zinc/73/25/95/976732595.db2.gz XKTKADKYKAOKJN-GOTSBHOMSA-N 1 0 409.530 3.797 20 5 HHBDRO COc1ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430129821 977336308 /nfs/dbraw/zinc/33/63/08/977336308.db2.gz IYCPDKYNQDBULE-QHCPKHFHSA-N 1 0 411.502 3.710 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000430424478 977537483 /nfs/dbraw/zinc/53/74/83/977537483.db2.gz IZJLLXHPFGPUFD-WMZOPIPTSA-N 1 0 411.506 3.719 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000430652765 977669336 /nfs/dbraw/zinc/66/93/36/977669336.db2.gz NZOMMFXOVBMXHR-WIYYLYMNSA-N 1 0 422.529 3.978 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000430654935 977670556 /nfs/dbraw/zinc/67/05/56/977670556.db2.gz TURAMAZSZKZPTH-UZLBHIALSA-N 1 0 408.502 3.952 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000430668403 977680142 /nfs/dbraw/zinc/68/01/42/977680142.db2.gz RJFOLXLYLXRGIK-PKOBYXMFSA-N 1 0 419.485 3.563 20 5 HHBDRO Cc1cc(OCC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000430675713 977686737 /nfs/dbraw/zinc/68/67/37/977686737.db2.gz ACKRCIGYEHXGFM-AZUAARDMSA-N 1 0 411.502 3.794 20 5 HHBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000430766172 977742679 /nfs/dbraw/zinc/74/26/79/977742679.db2.gz UIJOOZCLDCXRCU-HXUWFJFHSA-N 1 0 403.866 3.999 20 5 HHBDRO Cc1cc(OCC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000430817179 977774321 /nfs/dbraw/zinc/77/43/21/977774321.db2.gz QMYHHBVUVAKOTF-UYAOXDASSA-N 1 0 411.502 3.699 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430927375 977892088 /nfs/dbraw/zinc/89/20/88/977892088.db2.gz IQERKNIHCOFYKS-OAQYLSRUSA-N 1 0 411.502 3.956 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430958212 977913210 /nfs/dbraw/zinc/91/32/10/977913210.db2.gz RVQXAYCPLZOIPC-NRFANRHFSA-N 1 0 411.502 3.956 20 5 HHBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431173521 978073147 /nfs/dbraw/zinc/07/31/47/978073147.db2.gz SDEMAVFLINTTRI-OAHLLOKOSA-N 1 0 424.320 3.986 20 5 HHBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000431772977 978501250 /nfs/dbraw/zinc/50/12/50/978501250.db2.gz UAAPWYFWOBIDNY-UHFFFAOYSA-N 1 0 412.328 3.941 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431788579 978514424 /nfs/dbraw/zinc/51/44/24/978514424.db2.gz LGNXFPGOJDPUBG-UHFFFAOYSA-N 1 0 406.280 3.561 20 5 HHBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000431920704 978602265 /nfs/dbraw/zinc/60/22/65/978602265.db2.gz FNQUBOIAFPBCHG-ZBFHGGJFSA-N 1 0 423.922 3.580 20 5 HHBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000432333865 978764914 /nfs/dbraw/zinc/76/49/14/978764914.db2.gz IAFRKCNLKBPFBB-SJKOYZFVSA-N 1 0 404.264 3.813 20 5 HHBDRO CCc1ccc([C@@H](NCCC[N@@H+]2CCCO[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000432428330 978808583 /nfs/dbraw/zinc/80/85/83/978808583.db2.gz KDIAUQFWCUVBBF-JTSKRJEESA-N 1 0 401.507 3.930 20 5 HHBDRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000433279282 979212525 /nfs/dbraw/zinc/21/25/25/979212525.db2.gz QDPAPSKGYRQYIN-NHCUHLMSSA-N 1 0 409.486 3.717 20 5 HHBDRO COc1cc(C[C@@H](CO)C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc(OC)c1 ZINC000433296180 979221930 /nfs/dbraw/zinc/22/19/30/979221930.db2.gz HBNRQBNTHLIWMG-ZHRRBRCNSA-N 1 0 414.502 3.775 20 5 HHBDRO CC(C)c1n[nH]c(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000433840356 979618591 /nfs/dbraw/zinc/61/85/91/979618591.db2.gz DKXPNLXEKOIJFU-HOTGVXAUSA-N 1 0 413.522 3.849 20 5 HHBDRO CC(C)C[C@@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000433920517 979681316 /nfs/dbraw/zinc/68/13/16/979681316.db2.gz FNHIJOSQFZAFQM-RDJZCZTQSA-N 1 0 401.511 3.937 20 5 HHBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000434057224 979796018 /nfs/dbraw/zinc/79/60/18/979796018.db2.gz NBDKAKUFSISDHL-MOPGFXCFSA-N 1 0 400.523 3.530 20 5 HHBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000434322676 980086057 /nfs/dbraw/zinc/08/60/57/980086057.db2.gz WXBOKPCHGUBXBV-HXUWFJFHSA-N 1 0 405.458 3.799 20 5 HHBDRO COC(=O)COc1ccc(C[NH+]2CCC(F)(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000435059336 980603908 /nfs/dbraw/zinc/60/39/08/980603908.db2.gz WATFMTJLFBRQSW-UHFFFAOYSA-N 1 0 402.422 3.607 20 5 HHBDRO CC[NH+]1CCC(CCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000435334355 980792673 /nfs/dbraw/zinc/79/26/73/980792673.db2.gz ZAMUETHBXODMOG-UHFFFAOYSA-N 1 0 413.316 3.909 20 5 HHBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000436067495 981186492 /nfs/dbraw/zinc/18/64/92/981186492.db2.gz UACOESOHKOPUOI-UHFFFAOYSA-N 1 0 413.468 3.952 20 5 HHBDRO COc1ccc(CSCC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000436231953 981261187 /nfs/dbraw/zinc/26/11/87/981261187.db2.gz MEPOIGXWSLUXHH-GOSISDBHSA-N 1 0 421.563 3.750 20 5 HHBDRO COc1ccc(C[N@@H+]2CCCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)cc1 ZINC000436275787 981281052 /nfs/dbraw/zinc/28/10/52/981281052.db2.gz QNKLBOWATHLQPG-UHFFFAOYSA-N 1 0 410.396 3.730 20 5 HHBDRO CC[NH+]1CCN(Cc2ccccc2CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436307742 981290024 /nfs/dbraw/zinc/29/00/24/981290024.db2.gz LUJFGDBOAKFYTG-UHFFFAOYSA-N 1 0 423.439 3.758 20 5 HHBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000436362012 981325161 /nfs/dbraw/zinc/32/51/61/981325161.db2.gz IEDWZCSDWZGQNU-HNNXBMFYSA-N 1 0 410.396 3.712 20 5 HHBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1Sc1nnc(C2CC[NH2+]CC2)n1C1CC1 ZINC000436393620 981345860 /nfs/dbraw/zinc/34/58/60/981345860.db2.gz FCDGDLSPBGIWKL-UHFFFAOYSA-N 1 0 414.413 3.553 20 5 HHBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448407098 981760305 /nfs/dbraw/zinc/76/03/05/981760305.db2.gz YKPGUKFKYGLLRQ-LRDDRELGSA-N 1 0 410.421 3.677 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000437103685 981762537 /nfs/dbraw/zinc/76/25/37/981762537.db2.gz ATCUXEGJZBTXQU-PXNSSMCTSA-N 1 0 409.465 3.875 20 5 HHBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000460235868 982013143 /nfs/dbraw/zinc/01/31/43/982013143.db2.gz SNRYEJWDHKTWHR-QGZVFWFLSA-N 1 0 406.490 3.584 20 5 HHBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460311283 982090264 /nfs/dbraw/zinc/09/02/64/982090264.db2.gz BAXISIWRYUZSLN-UHFFFAOYSA-N 1 0 424.480 3.725 20 5 HHBDRO C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000437468229 982098637 /nfs/dbraw/zinc/09/86/37/982098637.db2.gz CDWJWSJBZHSBHV-MRXNPFEDSA-N 1 0 420.469 3.585 20 5 HHBDRO C[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000437473191 982102220 /nfs/dbraw/zinc/10/22/20/982102220.db2.gz GHYZHPSOKKOFAH-QGZVFWFLSA-N 1 0 408.502 3.906 20 5 HHBDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(C)C)[C@@H](C)C1 ZINC000460603327 982384410 /nfs/dbraw/zinc/38/44/10/982384410.db2.gz DYABKZWETKOCIC-QFBILLFUSA-N 1 0 400.527 3.676 20 5 HHBDRO C[C@H](NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000460653054 982424761 /nfs/dbraw/zinc/42/47/61/982424761.db2.gz FMVZCCULHNNHNQ-DFQSSKMNSA-N 1 0 408.502 3.819 20 5 HHBDRO C[N@H+](CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)Cc1ccc(F)cc1 ZINC000437998459 982514965 /nfs/dbraw/zinc/51/49/65/982514965.db2.gz NDLXCNAQBOBRQD-UHFFFAOYSA-N 1 0 400.454 3.540 20 5 HHBDRO COCCO[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000438552051 982891498 /nfs/dbraw/zinc/89/14/98/982891498.db2.gz HIRORGZKIJQHOZ-JOCHJYFZSA-N 1 0 422.485 3.685 20 5 HHBDRO CC[NH+]1CCC(CCNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000461219750 982931195 /nfs/dbraw/zinc/93/11/95/982931195.db2.gz SHHQYSYPMDAPHM-QGZVFWFLSA-N 1 0 402.539 3.683 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000438604336 982932531 /nfs/dbraw/zinc/93/25/31/982932531.db2.gz ULGMPMVQGKVHCW-INIZCTEOSA-N 1 0 411.506 3.719 20 5 HHBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461448799 983114122 /nfs/dbraw/zinc/11/41/22/983114122.db2.gz LQGWJYXCUUWHBP-QUCCMNQESA-N 1 0 418.497 3.599 20 5 HHBDRO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000438864893 983129707 /nfs/dbraw/zinc/12/97/07/983129707.db2.gz LEBKQQYYWGHZEF-SJORKVTESA-N 1 0 411.506 3.884 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000439772108 983532723 /nfs/dbraw/zinc/53/27/23/983532723.db2.gz VTZJVWCLUSHKKG-HZPDHXFCSA-N 1 0 414.531 3.812 20 5 HHBDRO COc1cc(C[NH+]2CCC([C@H]3CCCO3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000439773959 983533422 /nfs/dbraw/zinc/53/34/22/983533422.db2.gz JRWHBODJXUMHRL-MRXNPFEDSA-N 1 0 418.412 3.936 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000439878383 983566278 /nfs/dbraw/zinc/56/62/78/983566278.db2.gz BUIIONUAJRVWNB-QGZVFWFLSA-N 1 0 404.511 3.969 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000440912834 983968982 /nfs/dbraw/zinc/96/89/82/983968982.db2.gz OWEAKGHTQXCCCK-ZOBUZTSGSA-N 1 0 409.490 3.518 20 5 HHBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000441162573 984096884 /nfs/dbraw/zinc/09/68/84/984096884.db2.gz CGEQWVRJSCUOJL-KRWDZBQOSA-N 1 0 400.431 3.591 20 5 HHBDRO Cc1ccc2oc(C[N@@H+](Cc3ccco3)C[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc2c1 ZINC000441436907 984251516 /nfs/dbraw/zinc/25/15/16/984251516.db2.gz PLWLPJOJWLEULF-SFHVURJKSA-N 1 0 410.430 3.502 20 5 HHBDRO COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000441468706 984267401 /nfs/dbraw/zinc/26/74/01/984267401.db2.gz HERGDFJXVNKSKW-OXQOHEQNSA-N 1 0 410.474 3.521 20 5 HHBDRO COc1ccc(OCC[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000441530531 984306485 /nfs/dbraw/zinc/30/64/85/984306485.db2.gz RDBGEVXGHJDPCG-IBGZPJMESA-N 1 0 404.438 3.803 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462182236 985161761 /nfs/dbraw/zinc/16/17/61/985161761.db2.gz SWWMLNADFINOFC-GUYCJALGSA-N 1 0 418.291 3.608 20 5 HHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000443205662 985441938 /nfs/dbraw/zinc/44/19/38/985441938.db2.gz DOZFCDFISSETQZ-WDYCEAGBSA-N 1 0 419.522 3.521 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000462557562 985505898 /nfs/dbraw/zinc/50/58/98/985505898.db2.gz VJRSRTBUBPTJJN-DZGCQCFKSA-N 1 0 404.385 3.592 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000462607972 985551618 /nfs/dbraw/zinc/55/16/18/985551618.db2.gz SISIDAPKQCTFNG-FQEVSTJZSA-N 1 0 410.518 3.934 20 5 HHBDRO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)[NH+](C)C)cc1OC ZINC000443447940 985613127 /nfs/dbraw/zinc/61/31/27/985613127.db2.gz SQCRFIPTGNJHEQ-OAHLLOKOSA-N 1 0 411.405 3.928 20 5 HHBDRO O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000467972027 985614533 /nfs/dbraw/zinc/61/45/33/985614533.db2.gz WYBYFNVPFRINPF-UHFFFAOYSA-N 1 0 414.531 3.550 20 5 HHBDRO CC1CC[NH+]([C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000443691548 985904531 /nfs/dbraw/zinc/90/45/31/985904531.db2.gz HPZSUJRIRRYWJH-SFHVURJKSA-N 1 0 423.560 3.549 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443711006 985922288 /nfs/dbraw/zinc/92/22/88/985922288.db2.gz QMUUJTATLJUYSC-LAUBAEHRSA-N 1 0 417.531 3.582 20 5 HHBDRO CCC(CC)(CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccccc1 ZINC000443762556 985974223 /nfs/dbraw/zinc/97/42/23/985974223.db2.gz VVGXYQRRIPRDOP-KRWDZBQOSA-N 1 0 419.547 3.924 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000443946853 986154242 /nfs/dbraw/zinc/15/42/42/986154242.db2.gz MMNTUHFKGCVVCT-UHFFFAOYSA-N 1 0 411.506 3.545 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000463212639 986184559 /nfs/dbraw/zinc/18/45/59/986184559.db2.gz MMUCWPRCQACVPL-MEGFKASBSA-N 1 0 403.523 3.883 20 5 HHBDRO O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000444081353 986282236 /nfs/dbraw/zinc/28/22/36/986282236.db2.gz KTTPEKQZYJMDOE-CQSZACIVSA-N 1 0 411.452 3.517 20 5 HHBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000444093265 986292220 /nfs/dbraw/zinc/29/22/20/986292220.db2.gz IASAHLZPRSNCHG-INIZCTEOSA-N 1 0 407.489 3.911 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000468651154 986364753 /nfs/dbraw/zinc/36/47/53/986364753.db2.gz AKTAPIUUHORBGQ-SDNWHVSQSA-N 1 0 418.291 3.780 20 5 HHBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)CC[C@H]21 ZINC000444231515 986419165 /nfs/dbraw/zinc/41/91/65/986419165.db2.gz GBRRRFIFYHBHJJ-RNODOKPDSA-N 1 0 411.452 3.516 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000463444451 986423682 /nfs/dbraw/zinc/42/36/82/986423682.db2.gz RFTTVOKNFOKDAH-HSZRJFAPSA-N 1 0 411.502 3.549 20 5 HHBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000444247130 986440268 /nfs/dbraw/zinc/44/02/68/986440268.db2.gz KYSYZPORHDNUQX-QVKFZJNVSA-N 1 0 419.500 3.909 20 5 HHBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc(F)cc3c(=O)c4cccc(F)c4[nH]c13)CC2 ZINC000444282782 986471821 /nfs/dbraw/zinc/47/18/21/986471821.db2.gz CQBCFVXBQUMQCU-UHFFFAOYSA-N 1 0 411.452 3.660 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444320047 986501282 /nfs/dbraw/zinc/50/12/82/986501282.db2.gz STGJHBAHRBUKIQ-XDHUDOTRSA-N 1 0 411.505 3.932 20 5 HHBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444334570 986512331 /nfs/dbraw/zinc/51/23/31/986512331.db2.gz HXSILUDDSMCADP-CQSZACIVSA-N 1 0 413.468 3.954 20 5 HHBDRO CN(CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000463572865 986549686 /nfs/dbraw/zinc/54/96/86/986549686.db2.gz FIRJWODHINECCY-UHFFFAOYSA-N 1 0 410.518 3.723 20 5 HHBDRO O=C1[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCN1Cc1ccc(F)cc1F ZINC000468995246 986700601 /nfs/dbraw/zinc/70/06/01/986700601.db2.gz MAKBLCVYJPWUFO-MTGFJVSHSA-N 1 0 401.413 3.667 20 5 HHBDRO CN(CC(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000463812316 986804309 /nfs/dbraw/zinc/80/43/09/986804309.db2.gz QJGPYPKCQCDICZ-UHFFFAOYSA-N 1 0 410.518 3.723 20 5 HHBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000444766618 986926756 /nfs/dbraw/zinc/92/67/56/986926756.db2.gz MPKPYIBBPKZJMA-CMPLNLGQSA-N 1 0 401.282 3.509 20 5 HHBDRO Cc1cccc2nc(C3CC[NH+](C[C@H](O)COc4ccccc4[N+](=O)[O-])CC3)oc21 ZINC000444781619 986937998 /nfs/dbraw/zinc/93/79/98/986937998.db2.gz IZKRHAHTLXVPQN-KRWDZBQOSA-N 1 0 411.458 3.664 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c([N+](=O)[O-])c1 ZINC000469453408 987139617 /nfs/dbraw/zinc/13/96/17/987139617.db2.gz YQESLASSKQJICK-ZDUSSCGKSA-N 1 0 405.401 3.700 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469459082 987144502 /nfs/dbraw/zinc/14/45/02/987144502.db2.gz NZULHLLAWWLDGL-ZDUSSCGKSA-N 1 0 405.401 3.700 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470148536 988055700 /nfs/dbraw/zinc/05/57/00/988055700.db2.gz LGRZIQPPNXSGPR-SFHVURJKSA-N 1 0 401.442 3.647 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000470148244 988055812 /nfs/dbraw/zinc/05/58/12/988055812.db2.gz JKGNEDZFBNXKEI-UHFFFAOYSA-N 1 0 401.442 3.828 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000470149873 988058709 /nfs/dbraw/zinc/05/87/09/988058709.db2.gz DTCCBOQGJNDRCT-GOSISDBHSA-N 1 0 402.426 3.701 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000463949441 988060383 /nfs/dbraw/zinc/06/03/83/988060383.db2.gz KXYLZWSFBCXLTK-UHFFFAOYSA-N 1 0 400.479 3.864 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000470164777 988077017 /nfs/dbraw/zinc/07/70/17/988077017.db2.gz YGZCUBOKLLMMDU-SFHVURJKSA-N 1 0 424.423 3.758 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000470170298 988086231 /nfs/dbraw/zinc/08/62/31/988086231.db2.gz RVCHHQBMHGWCSX-PGNDWZGLSA-N 1 0 408.502 3.808 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000464323778 988458304 /nfs/dbraw/zinc/45/83/04/988458304.db2.gz JGFWAZYUVJWGND-XLIONFOSSA-N 1 0 414.550 3.825 20 5 HHBDRO CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470678313 988703318 /nfs/dbraw/zinc/70/33/18/988703318.db2.gz NWNUHFGIJMKOMV-SFHVURJKSA-N 1 0 420.469 3.585 20 5 HHBDRO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000464783559 989012095 /nfs/dbraw/zinc/01/20/95/989012095.db2.gz MFSFRVBSAQABDV-HXUWFJFHSA-N 1 0 414.502 3.803 20 5 HHBDRO C[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000464842631 989090769 /nfs/dbraw/zinc/09/07/69/989090769.db2.gz JQNWTVSLOWVNON-QGZVFWFLSA-N 1 0 407.474 3.741 20 5 HHBDRO COC(=O)[C@@H](C)[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000464875175 989136012 /nfs/dbraw/zinc/13/60/12/989136012.db2.gz DCORJMCSFYOVQW-BTYIYWSLSA-N 1 0 409.442 3.932 20 5 HHBDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000471054753 989136643 /nfs/dbraw/zinc/13/66/43/989136643.db2.gz BHYLEMUTHFSOBU-UHFFFAOYSA-N 1 0 424.501 3.566 20 5 HHBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000464945134 989236267 /nfs/dbraw/zinc/23/62/67/989236267.db2.gz ZJQFWHBBTIVGJW-FQEVSTJZSA-N 1 0 420.513 3.920 20 5 HHBDRO COC(=O)C(C)(C)C[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000464981819 989285338 /nfs/dbraw/zinc/28/53/38/989285338.db2.gz OZCXLRMOINFRQE-QGZVFWFLSA-N 1 0 419.865 3.717 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000471279186 989432289 /nfs/dbraw/zinc/43/22/89/989432289.db2.gz XSEKWXCDUQXEMD-OAHLLOKOSA-N 1 0 407.392 3.866 20 5 HHBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471288155 989445713 /nfs/dbraw/zinc/44/57/13/989445713.db2.gz QSMYUOPRAAITRU-KRWDZBQOSA-N 1 0 417.893 3.655 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000471296553 989457428 /nfs/dbraw/zinc/45/74/28/989457428.db2.gz HHAIFCKDGGDAQH-ZDUSSCGKSA-N 1 0 424.320 3.671 20 5 HHBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CCOc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000465180891 989515472 /nfs/dbraw/zinc/51/54/72/989515472.db2.gz CAUXTKHAACMDFR-QGZVFWFLSA-N 1 0 413.474 3.723 20 5 HHBDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)c1ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c1)CC2 ZINC000465354742 989703827 /nfs/dbraw/zinc/70/38/27/989703827.db2.gz CUTTYZLBBGLKNT-SXLOBPIMSA-N 1 0 414.550 3.918 20 5 HHBDRO C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000471572287 989773920 /nfs/dbraw/zinc/77/39/20/989773920.db2.gz GMPAXTARRVCMFX-VGOFRKELSA-N 1 0 410.518 3.619 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000465532067 989891785 /nfs/dbraw/zinc/89/17/85/989891785.db2.gz DAFPKHHUQSBECL-ROUUACIJSA-N 1 0 418.538 3.516 20 5 HHBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000465745008 990130189 /nfs/dbraw/zinc/13/01/89/990130189.db2.gz DLXSGLHCQJVAAZ-QGZVFWFLSA-N 1 0 418.538 3.658 20 5 HHBDRO Cc1ccc([C@@H](C)NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000471981053 990147666 /nfs/dbraw/zinc/14/76/66/990147666.db2.gz UVGMYUATLQIBQH-UIFIKXQLSA-N 1 0 408.502 3.738 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000466080940 991256667 /nfs/dbraw/zinc/25/66/67/991256667.db2.gz RXXAJWOTUGLMMV-FZKQIMNGSA-N 1 0 404.492 3.870 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000466233653 991459674 /nfs/dbraw/zinc/45/96/74/991459674.db2.gz HSNQOVSTLBSIJB-KRWDZBQOSA-N 1 0 416.909 3.612 20 5 HHBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1NC(=O)CC[NH+](C)C ZINC000466247120 991482382 /nfs/dbraw/zinc/48/23/82/991482382.db2.gz JVDFBKUJZVFTLW-UHFFFAOYSA-N 1 0 421.457 3.594 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000466446618 991736064 /nfs/dbraw/zinc/73/60/64/991736064.db2.gz RZWVYXNDABNRDU-OAHLLOKOSA-N 1 0 423.391 3.513 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000466474420 991766175 /nfs/dbraw/zinc/76/61/75/991766175.db2.gz OSTLXPFVHOSKJA-INIZCTEOSA-N 1 0 407.392 3.813 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000466585197 991902083 /nfs/dbraw/zinc/90/20/83/991902083.db2.gz FXFSZYRKKYXZHV-RHSMWYFYSA-N 1 0 402.882 3.883 20 5 HHBDRO COc1ccc(C2CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)cc1 ZINC000467163307 992481960 /nfs/dbraw/zinc/48/19/60/992481960.db2.gz CASDWXGVJLPYTH-UHFFFAOYSA-N 1 0 413.474 3.820 20 5 HHBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467213273 992537682 /nfs/dbraw/zinc/53/76/82/992537682.db2.gz CJZPRAVOPJTUOJ-QGZVFWFLSA-N 1 0 416.909 3.912 20 5 HHBDRO COCC[C@@H]1CCCC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000467278698 992600174 /nfs/dbraw/zinc/60/01/74/992600174.db2.gz OJJHVFIAXHFTBA-HNNXBMFYSA-N 1 0 418.519 3.795 20 5 HHBDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467840950 993072740 /nfs/dbraw/zinc/07/27/40/993072740.db2.gz SSFOYALDHOSFAO-IAGOWNOFSA-N 1 0 417.531 3.866 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472184160 993224777 /nfs/dbraw/zinc/22/47/77/993224777.db2.gz YFEPQOABPYWUHH-INIZCTEOSA-N 1 0 402.882 3.570 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472184161 993225083 /nfs/dbraw/zinc/22/50/83/993225083.db2.gz YFEPQOABPYWUHH-MRXNPFEDSA-N 1 0 402.882 3.570 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000472284606 993302357 /nfs/dbraw/zinc/30/23/57/993302357.db2.gz ZGHSMDQARJLUNJ-FQEVSTJZSA-N 1 0 424.501 3.516 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000472391455 993386222 /nfs/dbraw/zinc/38/62/22/993386222.db2.gz XZTCGRAXALBRNP-HXUWFJFHSA-N 1 0 408.502 3.791 20 5 HHBDRO CC1CC[NH+]([C@@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000472585489 993548732 /nfs/dbraw/zinc/54/87/32/993548732.db2.gz KEKIRMHRDQIMLH-SFHVURJKSA-N 1 0 423.560 3.549 20 5 HHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2(N3CCSCC3)CCCCC2)n1 ZINC000472628906 993570452 /nfs/dbraw/zinc/57/04/52/993570452.db2.gz JYPVYGQLWZVCLZ-ZWKOTPCHSA-N 1 0 407.584 3.616 20 5 HHBDRO CCN(CCC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)S(C)(=O)=O ZINC000480892759 993751983 /nfs/dbraw/zinc/75/19/83/993751983.db2.gz ZJIRCENIZKJNFB-CQSZACIVSA-N 1 0 411.549 3.646 20 5 HHBDRO Cc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)N2CCOCC2)cc1 ZINC000480907413 993764046 /nfs/dbraw/zinc/76/40/46/993764046.db2.gz DEVROURKUOLKES-VWNXMTODSA-N 1 0 409.530 3.887 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1C ZINC000480989356 993830704 /nfs/dbraw/zinc/83/07/04/993830704.db2.gz YGYRARMIBPAYMM-MAUKXSAKSA-N 1 0 423.560 3.635 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCCOCc4ccccc4)CC3)nc2c1 ZINC000481184317 994015246 /nfs/dbraw/zinc/01/52/46/994015246.db2.gz ADRGKNSUJCUOBI-UHFFFAOYSA-N 1 0 409.490 3.590 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000481185209 994016138 /nfs/dbraw/zinc/01/61/38/994016138.db2.gz WJBBUPMJBGZGTJ-JXFKEZNVSA-N 1 0 407.474 3.645 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000473295364 994148572 /nfs/dbraw/zinc/14/85/72/994148572.db2.gz QAOYEJMFVWQKRG-IBGZPJMESA-N 1 0 411.505 3.933 20 5 HHBDRO O=C(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(Br)cc1 ZINC000481399464 994231860 /nfs/dbraw/zinc/23/18/60/994231860.db2.gz GXGHZRPRBUPROW-QGZVFWFLSA-N 1 0 418.291 3.907 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473502281 994349631 /nfs/dbraw/zinc/34/96/31/994349631.db2.gz BBFRWBORJPKOJT-QHCPKHFHSA-N 1 0 409.486 3.732 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@H](OC)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000481526167 994358137 /nfs/dbraw/zinc/35/81/37/994358137.db2.gz FJFLIYAYVYBCDC-XCLFUZPHSA-N 1 0 421.881 3.951 20 5 HHBDRO O=C(NC[C@H]1CCCO1)c1cccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000481580317 994419891 /nfs/dbraw/zinc/41/98/91/994419891.db2.gz XLXGLHYHIWDONK-FGZHOGPDSA-N 1 0 423.513 3.615 20 5 HHBDRO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473567762 994435705 /nfs/dbraw/zinc/43/57/05/994435705.db2.gz JXGAFKUSMYLUEM-BGYRXZFFSA-N 1 0 423.516 3.885 20 5 HHBDRO NC(=O)c1ccc(C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000481737356 994594214 /nfs/dbraw/zinc/59/42/14/994594214.db2.gz DCXRPROSFZBDKV-KRWDZBQOSA-N 1 0 422.254 3.836 20 5 HHBDRO Cc1cc(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000473785905 994709595 /nfs/dbraw/zinc/70/95/95/994709595.db2.gz KPUNDQDHPSBVKA-QGZVFWFLSA-N 1 0 412.490 3.925 20 5 HHBDRO COc1cccc([C@@H]2[C@H](NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC[N@@H+]2C2CC2)c1 ZINC000482049127 994972108 /nfs/dbraw/zinc/97/21/08/994972108.db2.gz MZWGKOBGCXDTHS-FGZHOGPDSA-N 1 0 423.513 3.975 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc1[N+](=O)[O-] ZINC000473995169 994983322 /nfs/dbraw/zinc/98/33/22/994983322.db2.gz QLTMUKVFFFNQDV-INIZCTEOSA-N 1 0 423.469 3.583 20 5 HHBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000482058288 994987860 /nfs/dbraw/zinc/98/78/60/994987860.db2.gz ATSHWLFNHJTMHO-UHFFFAOYSA-N 1 0 415.412 3.626 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)cc1[N+](=O)[O-] ZINC000474006763 994997772 /nfs/dbraw/zinc/99/77/72/994997772.db2.gz DVRHUKIPQLMNTR-INIZCTEOSA-N 1 0 420.849 3.804 20 5 HHBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000482150784 995104091 /nfs/dbraw/zinc/10/40/91/995104091.db2.gz MBXIPOKUAUPDOS-HXUWFJFHSA-N 1 0 409.490 3.891 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)[NH2+]CC2(N3CCSCC3)CCCCC2)cccc1[N+](=O)[O-] ZINC000482166655 995124066 /nfs/dbraw/zinc/12/40/66/995124066.db2.gz FNYXCACGYSIRNM-QGZVFWFLSA-N 1 0 420.579 3.572 20 5 HHBDRO CC(C)(C)[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccc(F)cc1 ZINC000474154396 995137954 /nfs/dbraw/zinc/13/79/54/995137954.db2.gz NMQKDEXNAFOQQT-UHFFFAOYSA-N 1 0 403.410 3.702 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]CCc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000474368025 995348610 /nfs/dbraw/zinc/34/86/10/995348610.db2.gz IRYQNRHSFWHJHS-UHFFFAOYSA-N 1 0 413.257 3.786 20 5 HHBDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000482501785 995511639 /nfs/dbraw/zinc/51/16/39/995511639.db2.gz CTIRLHPBZKMFNA-SJORKVTESA-N 1 0 404.488 3.866 20 5 HHBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000482629216 995623794 /nfs/dbraw/zinc/62/37/94/995623794.db2.gz KLPHTCGQABGERY-OAQYLSRUSA-N 1 0 424.501 3.517 20 5 HHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000482883428 995815603 /nfs/dbraw/zinc/81/56/03/995815603.db2.gz YTFCFCNGMFAZOC-INIZCTEOSA-N 1 0 423.604 3.943 20 5 HHBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000482985043 995902000 /nfs/dbraw/zinc/90/20/00/995902000.db2.gz BPATXYDBNXYEBN-UXHICEINSA-N 1 0 418.856 3.666 20 5 HHBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000475131061 995942406 /nfs/dbraw/zinc/94/24/06/995942406.db2.gz SKMRKFYVAMEUHA-JOCHJYFZSA-N 1 0 400.475 3.919 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000483398135 996150882 /nfs/dbraw/zinc/15/08/82/996150882.db2.gz TXBBITXINSBXHD-FUHWJXTLSA-N 1 0 409.577 3.749 20 5 HHBDRO CCOc1cc(N2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000475513862 996193909 /nfs/dbraw/zinc/19/39/09/996193909.db2.gz VEVSUJNBMPNATJ-UHFFFAOYSA-N 1 0 407.474 3.501 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000475559906 996219068 /nfs/dbraw/zinc/21/90/68/996219068.db2.gz LOMAEIALUYJUEU-ROUUACIJSA-N 1 0 418.538 3.955 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000475616887 996250766 /nfs/dbraw/zinc/25/07/66/996250766.db2.gz PLJQVTCRECDITI-UHFFFAOYSA-N 1 0 404.511 3.568 20 5 HHBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000483589148 996270003 /nfs/dbraw/zinc/27/00/03/996270003.db2.gz HQLSQITXVSOENO-TZIWHRDSSA-N 1 0 408.502 3.763 20 5 HHBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000483589144 996270227 /nfs/dbraw/zinc/27/02/27/996270227.db2.gz HQLSQITXVSOENO-CTNGQTDRSA-N 1 0 408.502 3.763 20 5 HHBDRO COC(=O)c1cc(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c(C)c([N+](=O)[O-])c1 ZINC000483597137 996276291 /nfs/dbraw/zinc/27/62/91/996276291.db2.gz ZABDPKFGSJMDES-AUUYWEPGSA-N 1 0 414.462 3.503 20 5 HHBDRO CC(C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000475721489 996323159 /nfs/dbraw/zinc/32/31/59/996323159.db2.gz GHWOFQFYCYSMIT-CQSZACIVSA-N 1 0 414.380 3.758 20 5 HHBDRO CN(CC[NH+](C)C)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000476036923 996558243 /nfs/dbraw/zinc/55/82/43/996558243.db2.gz YLRKAOLWWIYUGC-UHFFFAOYSA-N 1 0 424.860 3.883 20 5 HHBDRO CC1(C)C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@H]1C(F)(F)F ZINC000484362784 996730640 /nfs/dbraw/zinc/73/06/40/996730640.db2.gz UGPWLESJQVRFCG-OAHLLOKOSA-N 1 0 401.385 3.803 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1Oc1ccccc1C ZINC000484660309 996998592 /nfs/dbraw/zinc/99/85/92/996998592.db2.gz ZNGZFSJSNHDCNB-XLIONFOSSA-N 1 0 413.474 3.830 20 5 HHBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Cc1ccc(F)cc1 ZINC000484832065 997198271 /nfs/dbraw/zinc/19/82/71/997198271.db2.gz VEYAAXRYOKCHSX-UHFFFAOYSA-N 1 0 400.454 3.514 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000484944870 997322630 /nfs/dbraw/zinc/32/26/30/997322630.db2.gz AYSGIYNUKQNKSY-RTBURBONSA-N 1 0 409.486 3.588 20 5 HHBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485043187 997407815 /nfs/dbraw/zinc/40/78/15/997407815.db2.gz DRQZZBDLKLGMEF-UHFFFAOYSA-N 1 0 405.401 3.722 20 5 HHBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000485125056 997509297 /nfs/dbraw/zinc/50/92/97/997509297.db2.gz XAFGPQNGXBAUTO-GOSISDBHSA-N 1 0 411.506 3.509 20 5 HHBDRO COc1c(C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)cccc1[N+](=O)[O-] ZINC000477026957 997659733 /nfs/dbraw/zinc/65/97/33/997659733.db2.gz SNKFFWUHIWWVCC-UHFFFAOYSA-N 1 0 412.490 3.695 20 5 HHBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477040110 997673949 /nfs/dbraw/zinc/67/39/49/997673949.db2.gz PWWOCKKUWPURAX-UHFFFAOYSA-N 1 0 403.479 3.772 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000477054250 997697140 /nfs/dbraw/zinc/69/71/40/997697140.db2.gz BKMKYQHZFXJPOF-DEOSSOPVSA-N 1 0 422.529 3.830 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000477065690 997711089 /nfs/dbraw/zinc/71/10/89/997711089.db2.gz IKMXMUKYLGMHMH-WQIZZMQYSA-N 1 0 403.504 3.662 20 5 HHBDRO CN(C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000485342172 997761007 /nfs/dbraw/zinc/76/10/07/997761007.db2.gz CFXCWZNNVSKEBH-REWPJTCUSA-N 1 0 422.529 3.544 20 5 HHBDRO CSc1cccc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000485490146 997942415 /nfs/dbraw/zinc/94/24/15/997942415.db2.gz LPGSGHYQEJHYIF-UHFFFAOYSA-N 1 0 416.503 3.768 20 5 HHBDRO O=C(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000485666041 998120186 /nfs/dbraw/zinc/12/01/86/998120186.db2.gz DOOYRRYNSNQJQM-HNNXBMFYSA-N 1 0 423.395 3.524 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000485701192 998165087 /nfs/dbraw/zinc/16/50/87/998165087.db2.gz LXLIMUZMCBMNIO-MRXNPFEDSA-N 1 0 403.504 3.636 20 5 HHBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000485795631 998264869 /nfs/dbraw/zinc/26/48/69/998264869.db2.gz UANAPYAYUHBZHB-HNNXBMFYSA-N 1 0 419.428 3.933 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)cc2)C1 ZINC000485824566 998291127 /nfs/dbraw/zinc/29/11/27/998291127.db2.gz ZSTGIPUGJQKTLL-OAHLLOKOSA-N 1 0 417.456 3.964 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000485839858 998305097 /nfs/dbraw/zinc/30/50/97/998305097.db2.gz CMRQFIAMLIIOOZ-LBPRGKRZSA-N 1 0 400.460 3.893 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1SC ZINC000486118381 998566688 /nfs/dbraw/zinc/56/66/88/998566688.db2.gz JZHBCJZUUXUGFT-QLFBSQMISA-N 1 0 407.536 3.803 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CC([NH+]4CCCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000477956371 998680832 /nfs/dbraw/zinc/68/08/32/998680832.db2.gz VXHHZHIETDYUQS-FWYSVENZSA-N 1 0 414.550 3.824 20 5 HHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478037923 998728025 /nfs/dbraw/zinc/72/80/25/998728025.db2.gz BMKJHNLXCPZVBB-ZWKOTPCHSA-N 1 0 402.539 3.898 20 5 HHBDRO CCc1nc2c(s1)[C@H]([N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CCC2 ZINC000478045681 998732766 /nfs/dbraw/zinc/73/27/66/998732766.db2.gz HGQUDXXDGJXQOA-MRXNPFEDSA-N 1 0 418.519 3.960 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478057960 998741236 /nfs/dbraw/zinc/74/12/36/998741236.db2.gz YKVSZSYAIZOWPE-GOSISDBHSA-N 1 0 402.539 3.818 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000486400793 998748770 /nfs/dbraw/zinc/74/87/70/998748770.db2.gz RDQBJHPGGVMYTQ-UHFFFAOYSA-N 1 0 421.563 3.718 20 5 HHBDRO COc1cccc([C@H](CNC(=O)c2cccc(SC)c2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000486650168 998875724 /nfs/dbraw/zinc/87/57/24/998875724.db2.gz JYOHNISFMGLECZ-SFHVURJKSA-N 1 0 415.515 3.892 20 5 HHBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@@H]1[NH+](C)C ZINC000478448009 998964588 /nfs/dbraw/zinc/96/45/88/998964588.db2.gz IPCOGNYGDZUCPB-HKUYNNGSSA-N 1 0 401.488 3.505 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1SC ZINC000486954803 999017911 /nfs/dbraw/zinc/01/79/11/999017911.db2.gz LVHZNEGRQHIGPY-ZIAGYGMSSA-N 1 0 409.552 3.812 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000486984291 999026996 /nfs/dbraw/zinc/02/69/96/999026996.db2.gz KPKFRYYHIGCROH-UHFFFAOYSA-N 1 0 403.504 3.690 20 5 HHBDRO C[C@@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000478722414 999107624 /nfs/dbraw/zinc/10/76/24/999107624.db2.gz JZTIWEHITHELMN-KGLIPLIRSA-N 1 0 416.444 3.795 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000487474778 999190877 /nfs/dbraw/zinc/19/08/77/999190877.db2.gz YURRXQHOQCFNNS-RYQLBKOJSA-N 1 0 411.506 3.766 20 5 HHBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000487749671 999276316 /nfs/dbraw/zinc/27/63/16/999276316.db2.gz LUZUIQCMVFRMBB-FQEVSTJZSA-N 1 0 417.513 3.540 20 5 HHBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000488275335 999420052 /nfs/dbraw/zinc/42/00/52/999420052.db2.gz YNRXCAMLFUMCOV-UHFFFAOYSA-N 1 0 416.909 3.708 20 5 HHBDRO CN(Cc1ccccc1)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000479878962 999633852 /nfs/dbraw/zinc/63/38/52/999633852.db2.gz GARRRQDIDPERBI-QHCPKHFHSA-N 1 0 419.529 3.996 20 5 HHBDRO COc1ccccc1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000479952838 999661338 /nfs/dbraw/zinc/66/13/38/999661338.db2.gz BQGLUSFPODIPDJ-QGZVFWFLSA-N 1 0 413.474 3.648 20 5 HHBDRO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc2ccccc2c1 ZINC000489002651 999669147 /nfs/dbraw/zinc/66/91/47/999669147.db2.gz AKFDABZGWYRKIH-IAGOWNOFSA-N 1 0 421.501 3.847 20 5 HHBDRO Cc1ccc(-c2noc(CCC[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)n2)cc1F ZINC000489028968 999676786 /nfs/dbraw/zinc/67/67/86/999676786.db2.gz SGEMOCCDGZIVJW-UHFFFAOYSA-N 1 0 414.441 3.559 20 5 HHBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000480058571 999704794 /nfs/dbraw/zinc/70/47/94/999704794.db2.gz SNHHDBPXFZPSIL-HXUWFJFHSA-N 1 0 410.518 3.957 20 5 HHBDRO Cc1cc(NC2CC[NH+](CCc3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489245698 999729356 /nfs/dbraw/zinc/72/93/56/999729356.db2.gz GHEQAQGRKWGDOV-UHFFFAOYSA-N 1 0 417.513 3.901 20 5 HHBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000489348001 999750030 /nfs/dbraw/zinc/75/00/30/999750030.db2.gz CBPJRKRMRBCJLN-KKSFZXQISA-N 1 0 411.506 3.575 20 5 HHBDRO CC[NH+]1CCN(Cc2ccc(CNc3ccc4ncccc4c3[N+](=O)[O-])cc2)CC1 ZINC000480451865 999802227 /nfs/dbraw/zinc/80/22/27/999802227.db2.gz XLDXIOZNTCWZAD-UHFFFAOYSA-N 1 0 405.502 3.893 20 5 HHBDRO COc1cc(C[NH2+]C[C@](C)(O)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000480453690 999802713 /nfs/dbraw/zinc/80/27/13/999802713.db2.gz FKDRXKXRUXLOHQ-SFHVURJKSA-N 1 0 420.428 3.965 20 5 HHBDRO C[C@H](O)[C@](C)(C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000480460351 999804195 /nfs/dbraw/zinc/80/41/95/999804195.db2.gz KGALBVUAPUSULH-SBUREZEXSA-N 1 0 408.502 3.715 20 5 HHBDRO COc1cc(CNc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)c([N+](=O)[O-])cc1O ZINC000480476371 999807811 /nfs/dbraw/zinc/80/78/11/999807811.db2.gz ZPXLSRQDEDKBAW-UHFFFAOYSA-N 1 0 414.506 3.760 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)ccc1[N+](=O)[O-] ZINC000489962227 999869871 /nfs/dbraw/zinc/86/98/71/999869871.db2.gz BJGISBVTEKSCNX-GOSISDBHSA-N 1 0 412.490 3.946 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC)[C@H](C)C1 ZINC000489980912 999872732 /nfs/dbraw/zinc/87/27/32/999872732.db2.gz KROYARBRYREZFE-QAPCUYQASA-N 1 0 409.552 3.574 20 5 HHBDRO CCNc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1[N+](=O)[O-] ZINC000490144763 999899708 /nfs/dbraw/zinc/89/97/08/999899708.db2.gz QGGGYPZYYKAFTL-UHFFFAOYSA-N 1 0 400.504 3.828 20 5 HHBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490227380 999915772 /nfs/dbraw/zinc/91/57/72/999915772.db2.gz OLZOSPUPTIORKL-ZBFHGGJFSA-N 1 0 419.428 3.837 20 5 HHBDRO C[C@@]1(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC[N@@H+]1Cc1ccccc1 ZINC000490512279 999969966 /nfs/dbraw/zinc/96/99/66/999969966.db2.gz CWNGTVZCFNJMKF-QHCPKHFHSA-N 1 0 406.486 3.790 20 5 HHBDRO COc1cc(CNC[C@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491049134 1000039259 /nfs/dbraw/zinc/03/92/59/1000039259.db2.gz FIQYEIAZJBSFCS-KGLIPLIRSA-N 1 0 401.454 3.600 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492332723 1000122249 /nfs/dbraw/zinc/12/22/49/1000122249.db2.gz YFFVXHNTYUWXBZ-UHFFFAOYSA-N 1 0 415.515 3.857 20 5 HHBDRO COc1ccc(OCC[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c([N+](=O)[O-])c1 ZINC000492558321 1000132623 /nfs/dbraw/zinc/13/26/23/1000132623.db2.gz MYBLXHOALWYOEF-UHFFFAOYSA-N 1 0 414.384 3.535 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493622876 1000181727 /nfs/dbraw/zinc/18/17/27/1000181727.db2.gz LUJVUXYLYCWEFA-SUMWQHHRSA-N 1 0 402.438 3.931 20 5 HHBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+](CCO)Cc2cc(Br)cs2)cc1 ZINC000494251968 1000389944 /nfs/dbraw/zinc/38/99/44/1000389944.db2.gz UQYCMAVSAPTKKH-UHFFFAOYSA-N 1 0 415.309 3.682 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1[N+](=O)[O-] ZINC000504894046 1000433129 /nfs/dbraw/zinc/43/31/29/1000433129.db2.gz JPHFFFWGROGVAA-ZACQAIPSSA-N 1 0 414.506 3.853 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504894791 1000433728 /nfs/dbraw/zinc/43/37/28/1000433728.db2.gz OEMGRLPFFQEZQD-QAPCUYQASA-N 1 0 405.520 3.779 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000504912510 1000444552 /nfs/dbraw/zinc/44/45/52/1000444552.db2.gz WZODEECPNBAPJM-GJZGRUSLSA-N 1 0 421.519 3.656 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](c2ccc(C)o2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504921901 1000449570 /nfs/dbraw/zinc/44/95/70/1000449570.db2.gz VYZKVQOTZRYGDR-QFBILLFUSA-N 1 0 403.479 3.619 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000494455845 1000501553 /nfs/dbraw/zinc/50/15/53/1000501553.db2.gz VROZWJPYUYMTRS-FXAWDEMLSA-N 1 0 419.865 3.705 20 5 HHBDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000494476199 1000512917 /nfs/dbraw/zinc/51/29/17/1000512917.db2.gz VBMRBLPNKCRIQY-UHFFFAOYSA-N 1 0 417.531 3.891 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494497287 1000524934 /nfs/dbraw/zinc/52/49/34/1000524934.db2.gz WLNMQYMNRKDPQB-QFBILLFUSA-N 1 0 417.849 3.666 20 5 HHBDRO O=C(C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494498487 1000525359 /nfs/dbraw/zinc/52/53/59/1000525359.db2.gz WIJWJYKEZLACLG-YJBOKZPZSA-N 1 0 410.257 3.960 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494512230 1000533020 /nfs/dbraw/zinc/53/30/20/1000533020.db2.gz YFWZEQAAXMDDGO-QFBILLFUSA-N 1 0 407.829 3.754 20 5 HHBDRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494526804 1000538713 /nfs/dbraw/zinc/53/87/13/1000538713.db2.gz MNWJGBVCPNBGNX-CQSZACIVSA-N 1 0 409.408 3.841 20 5 HHBDRO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494526802 1000538904 /nfs/dbraw/zinc/53/89/04/1000538904.db2.gz MNWJGBVCPNBGNX-AWEZNQCLSA-N 1 0 409.408 3.841 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)cc2[N+](=O)[O-])C1 ZINC000505124179 1000562640 /nfs/dbraw/zinc/56/26/40/1000562640.db2.gz LMZFRERUOJHLML-OAHLLOKOSA-N 1 0 406.446 3.664 20 5 HHBDRO C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@@H+]1CCCC[C@@H]1C ZINC000494687609 1000604685 /nfs/dbraw/zinc/60/46/85/1000604685.db2.gz FJKXIWWIWMSGKX-STQMWFEESA-N 1 0 402.417 3.676 20 5 HHBDRO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)C[C@H]1CCCCO1 ZINC000494771198 1000645302 /nfs/dbraw/zinc/64/53/02/1000645302.db2.gz SEEBPUSQOUUAAS-CZUORRHYSA-N 1 0 404.492 3.546 20 5 HHBDRO C[NH+](C)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000495040058 1000794256 /nfs/dbraw/zinc/79/42/56/1000794256.db2.gz LAOKMIJUGJRELA-UHFFFAOYSA-N 1 0 404.898 3.932 20 5 HHBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000495066640 1000811436 /nfs/dbraw/zinc/81/14/36/1000811436.db2.gz MJCSKNPOYWQFNA-UHFFFAOYSA-N 1 0 409.486 3.778 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000495132708 1000872841 /nfs/dbraw/zinc/87/28/41/1000872841.db2.gz ZOOAYVPECICXBL-GHTZIAJQSA-N 1 0 409.486 3.730 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000495180692 1000903311 /nfs/dbraw/zinc/90/33/11/1000903311.db2.gz AJKXSGQDLQMQEZ-HKUYNNGSSA-N 1 0 400.475 3.823 20 5 HHBDRO C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000505637106 1000947873 /nfs/dbraw/zinc/94/78/73/1000947873.db2.gz QUCWQAKKCGSVCG-TYILLQQXSA-N 1 0 405.882 3.823 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000495389780 1000995550 /nfs/dbraw/zinc/99/55/50/1000995550.db2.gz SYEBKEXCNYFTBN-UHFFFAOYSA-N 1 0 403.504 3.956 20 5 HHBDRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000505731194 1000997183 /nfs/dbraw/zinc/99/71/83/1000997183.db2.gz JARJDTOSBHLAGG-UHFFFAOYSA-N 1 0 402.476 3.723 20 5 HHBDRO Cc1cc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc([N+](=O)[O-])c1 ZINC000505748870 1001005371 /nfs/dbraw/zinc/00/53/71/1001005371.db2.gz CPTUMMVEEZXKKQ-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000495440957 1001013300 /nfs/dbraw/zinc/01/33/00/1001013300.db2.gz ZAPUDZUEHUFEJE-CYBMUJFWSA-N 1 0 421.881 3.815 20 5 HHBDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000506011150 1001161066 /nfs/dbraw/zinc/16/10/66/1001161066.db2.gz YTRRFYYWZLJFOF-AWEZNQCLSA-N 1 0 415.471 3.695 20 5 HHBDRO O=[N+]([O-])c1ccc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c(Br)c1 ZINC000497134374 1001273547 /nfs/dbraw/zinc/27/35/47/1001273547.db2.gz WBRJYBVEVLGGHW-JTQLQIEISA-N 1 0 424.324 3.902 20 5 HHBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000497357430 1001307486 /nfs/dbraw/zinc/30/74/86/1001307486.db2.gz HULXCBXGSMWDEN-INIZCTEOSA-N 1 0 405.401 3.543 20 5 HHBDRO COc1cc(CN(C)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000506344162 1001367504 /nfs/dbraw/zinc/36/75/04/1001367504.db2.gz YVEZVGREAKUQGV-UHFFFAOYSA-N 1 0 419.444 3.849 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000497445006 1001369206 /nfs/dbraw/zinc/36/92/06/1001369206.db2.gz SFULPZXAYSWXHI-UHFFFAOYSA-N 1 0 405.495 3.746 20 5 HHBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000506372452 1001383904 /nfs/dbraw/zinc/38/39/04/1001383904.db2.gz ZPHXXVUGLDNARA-LBPRGKRZSA-N 1 0 400.426 3.828 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506468395 1001426185 /nfs/dbraw/zinc/42/61/85/1001426185.db2.gz DEPGGIUQOYCGIH-BZSNNMDCSA-N 1 0 418.538 3.517 20 5 HHBDRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000506705271 1001499107 /nfs/dbraw/zinc/49/91/07/1001499107.db2.gz BJQXQPUSZMQVHN-HWKANZROSA-N 1 0 409.442 3.687 20 5 HHBDRO C[NH+](C)C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000497784254 1001513312 /nfs/dbraw/zinc/51/33/12/1001513312.db2.gz SVSWPHUKKGAPGQ-FQEVSTJZSA-N 1 0 402.470 3.659 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000506781742 1001527224 /nfs/dbraw/zinc/52/72/24/1001527224.db2.gz UCZPIVLFWLJTJA-UHFFFAOYSA-N 1 0 409.552 3.716 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000497981853 1001589543 /nfs/dbraw/zinc/58/95/43/1001589543.db2.gz FGRZVEINWOKWFZ-MAUKXSAKSA-N 1 0 421.494 3.580 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000506911540 1001590493 /nfs/dbraw/zinc/59/04/93/1001590493.db2.gz KVOOGCWHBBSZBL-QGZVFWFLSA-N 1 0 411.506 3.769 20 5 HHBDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C(F)(F)F)C1 ZINC000498254870 1001734358 /nfs/dbraw/zinc/73/43/58/1001734358.db2.gz UHRNDPPFPXASQP-ZIAGYGMSSA-N 1 0 421.847 3.816 20 5 HHBDRO Cc1c(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cccc1[N+](=O)[O-] ZINC000507239432 1001925171 /nfs/dbraw/zinc/92/51/71/1001925171.db2.gz SJICSMOQKUENSC-FQEVSTJZSA-N 1 0 423.513 3.562 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC[N@H+](C)Cc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000507462068 1002085355 /nfs/dbraw/zinc/08/53/55/1002085355.db2.gz CDKKFTQZFNWKKH-SFHVURJKSA-N 1 0 410.518 3.693 20 5 HHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507571532 1002176555 /nfs/dbraw/zinc/17/65/55/1002176555.db2.gz WJKJWBVYUKTQOT-MRXNPFEDSA-N 1 0 407.474 3.877 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000507624650 1002228442 /nfs/dbraw/zinc/22/84/42/1002228442.db2.gz LGAUSKOZLLBOFL-BEFAXECRSA-N 1 0 409.465 3.918 20 5 HHBDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000499070178 1002453762 /nfs/dbraw/zinc/45/37/62/1002453762.db2.gz HGPHFUKQIMUADC-CHWSQXEVSA-N 1 0 414.853 3.507 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NCCCCC[NH+]3CCCC3)cc2[N+](=O)[O-])CC1 ZINC000508099413 1002624588 /nfs/dbraw/zinc/62/45/88/1002624588.db2.gz JEXQAKWGOPNPDE-UHFFFAOYSA-N 1 0 402.539 3.827 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000499357479 1002755904 /nfs/dbraw/zinc/75/59/04/1002755904.db2.gz DUTASALSCQKDKO-UHFFFAOYSA-N 1 0 411.289 3.968 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000499530292 1002917628 /nfs/dbraw/zinc/91/76/28/1002917628.db2.gz SHNIWZLTHXTCMV-JXFKEZNVSA-N 1 0 404.470 3.783 20 5 HHBDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000508645470 1003093319 /nfs/dbraw/zinc/09/33/19/1003093319.db2.gz NLQMARMYQPGTPC-NWDGAFQWSA-N 1 0 422.279 3.703 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+][C@H](CO)Cc3ccc(F)cc3)o2)c([N+](=O)[O-])c1 ZINC000500244338 1003577769 /nfs/dbraw/zinc/57/77/69/1003577769.db2.gz FFMUNPHDFHEMLW-INIZCTEOSA-N 1 0 400.406 3.696 20 5 HHBDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H](C(F)(F)F)C1 ZINC000500408480 1003698555 /nfs/dbraw/zinc/69/85/55/1003698555.db2.gz DKTJCLGPTFXJAC-CHWSQXEVSA-N 1 0 407.820 3.773 20 5 HHBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000500416275 1003703420 /nfs/dbraw/zinc/70/34/20/1003703420.db2.gz USVRYCDEVHFHPT-NRFANRHFSA-N 1 0 408.458 3.652 20 5 HHBDRO Cc1sc(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1[N+](=O)[O-] ZINC000500455447 1003727819 /nfs/dbraw/zinc/72/78/19/1003727819.db2.gz GWTMHRWKCGETTG-AWEZNQCLSA-N 1 0 403.504 3.595 20 5 HHBDRO C[C@@H]([NH2+]C1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)CCOCC1)c1ccccc1 ZINC000500463768 1003731359 /nfs/dbraw/zinc/73/13/59/1003731359.db2.gz FVPPDCICHULDPU-MRXNPFEDSA-N 1 0 422.485 3.706 20 5 HHBDRO C[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511824643 1003794698 /nfs/dbraw/zinc/79/46/98/1003794698.db2.gz RVKGPZZDLHDEHE-WIYYLYMNSA-N 1 0 410.518 3.689 20 5 HHBDRO COc1cccc([C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)[NH+](C)C)c1 ZINC000509371451 1003799582 /nfs/dbraw/zinc/79/95/82/1003799582.db2.gz JROFYKSPJBQUEW-NRFANRHFSA-N 1 0 414.506 3.826 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511840358 1003817997 /nfs/dbraw/zinc/81/79/97/1003817997.db2.gz FOCGSSRAVLCRFP-HNNXBMFYSA-N 1 0 423.391 3.627 20 5 HHBDRO CC1CC[NH+](C2CCC(NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000500608813 1003826270 /nfs/dbraw/zinc/82/62/70/1003826270.db2.gz YLOYRWFUVOVOEL-UHFFFAOYSA-N 1 0 402.539 3.822 20 5 HHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000509465597 1003882624 /nfs/dbraw/zinc/88/26/24/1003882624.db2.gz VBZBDXNEOOMUSV-GOSISDBHSA-N 1 0 410.518 3.962 20 5 HHBDRO C[NH+]1CCC2(CCCN2C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000509606087 1003974591 /nfs/dbraw/zinc/97/45/91/1003974591.db2.gz BMNMYHGIBIKNDQ-UHFFFAOYSA-N 1 0 408.502 3.907 20 5 HHBDRO CC[N@@H+]1CCC[C@@H](CN(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H]1c1cnn(C)c1 ZINC000509615695 1003982480 /nfs/dbraw/zinc/98/24/80/1003982480.db2.gz FPVCBLDFNINFOS-IFXJQAMLSA-N 1 0 423.464 3.839 20 5 HHBDRO CC1CC[NH+]([C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c2cccs2)CC1 ZINC000512058608 1003989676 /nfs/dbraw/zinc/98/96/76/1003989676.db2.gz OIGOTNFNGCQROK-INIZCTEOSA-N 1 0 406.483 3.581 20 5 HHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCN3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000509656638 1004009224 /nfs/dbraw/zinc/00/92/24/1004009224.db2.gz JDSRYOYFQAPWMS-UHFFFAOYSA-N 1 0 424.545 3.650 20 5 HHBDRO CCC[NH+]1CCC(N(C)C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000512086801 1004012365 /nfs/dbraw/zinc/01/23/65/1004012365.db2.gz GYLSOEMOSONXLX-UHFFFAOYSA-N 1 0 416.444 3.748 20 5 HHBDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000500867934 1004015255 /nfs/dbraw/zinc/01/52/55/1004015255.db2.gz OPOFPVDRJVVFBC-UHFFFAOYSA-N 1 0 411.380 3.943 20 5 HHBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000509785155 1004094808 /nfs/dbraw/zinc/09/48/08/1004094808.db2.gz FPVQZQCVQJNDNM-NSHDSACASA-N 1 0 411.252 3.858 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512204762 1004105815 /nfs/dbraw/zinc/10/58/15/1004105815.db2.gz VLDJLFGYNRWAKY-KRWDZBQOSA-N 1 0 412.273 3.862 20 5 HHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000509825948 1004125974 /nfs/dbraw/zinc/12/59/74/1004125974.db2.gz IYFMJBGQQYVZFV-UHFFFAOYSA-N 1 0 420.579 3.876 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512230485 1004130678 /nfs/dbraw/zinc/13/06/78/1004130678.db2.gz UMBFVJIVPIGHNP-MRXNPFEDSA-N 1 0 412.273 3.862 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)o2)cc1 ZINC000512295761 1004199571 /nfs/dbraw/zinc/19/95/71/1004199571.db2.gz VMUCDWSITKRGAB-HSZRJFAPSA-N 1 0 419.485 3.743 20 5 HHBDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000510066709 1004300976 /nfs/dbraw/zinc/30/09/76/1004300976.db2.gz SLSRBYXIQKBYLE-LJQANCHMSA-N 1 0 400.479 3.734 20 5 HHBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1[N+](=O)[O-] ZINC000512576663 1004396382 /nfs/dbraw/zinc/39/63/82/1004396382.db2.gz DFHOLJWEEFWGIJ-MRXNPFEDSA-N 1 0 423.560 3.580 20 5 HHBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000510233306 1004413160 /nfs/dbraw/zinc/41/31/60/1004413160.db2.gz IUWJOFMUYPOCQT-UHFFFAOYSA-N 1 0 407.474 3.741 20 5 HHBDRO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000501614469 1004553989 /nfs/dbraw/zinc/55/39/89/1004553989.db2.gz BBMPDHRSGWZQEQ-CVEARBPZSA-N 1 0 420.469 3.584 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512885334 1004648131 /nfs/dbraw/zinc/64/81/31/1004648131.db2.gz OGKSDUKIZISKEO-LPHOPBHVSA-N 1 0 400.475 3.945 20 5 HHBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000510526088 1004654687 /nfs/dbraw/zinc/65/46/87/1004654687.db2.gz RCLAAYRTDOTSIX-OPAMFIHVSA-N 1 0 421.501 3.725 20 5 HHBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[NH+](C)C ZINC000510537943 1004671457 /nfs/dbraw/zinc/67/14/57/1004671457.db2.gz JKKBNEKKXOEWBX-HRAATJIYSA-N 1 0 407.474 3.510 20 5 HHBDRO O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000512908431 1004677650 /nfs/dbraw/zinc/67/76/50/1004677650.db2.gz DAXFTEAHOFSWNA-UHFFFAOYSA-N 1 0 405.410 3.631 20 5 HHBDRO CCn1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000513032274 1004769015 /nfs/dbraw/zinc/76/90/15/1004769015.db2.gz KFUNVVHMRXKIPZ-UHFFFAOYSA-N 1 0 402.458 3.954 20 5 HHBDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000501974315 1004840166 /nfs/dbraw/zinc/84/01/66/1004840166.db2.gz UEKJYUWPDIYYDQ-JKSUJKDBSA-N 1 0 423.473 3.781 20 5 HHBDRO COc1ccccc1O[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000513364987 1004927232 /nfs/dbraw/zinc/92/72/32/1004927232.db2.gz CZJVOYHUCTZORZ-SFHVURJKSA-N 1 0 413.474 3.784 20 5 HHBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510926370 1004936993 /nfs/dbraw/zinc/93/69/93/1004936993.db2.gz XCNJNMUDFXACED-HIFRSBDPSA-N 1 0 424.339 3.669 20 5 HHBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000511043800 1004994839 /nfs/dbraw/zinc/99/48/39/1004994839.db2.gz HDALHVKUPYLHIS-MRXNPFEDSA-N 1 0 417.531 3.614 20 5 HHBDRO CCCn1nccc1C1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000502334748 1005017825 /nfs/dbraw/zinc/01/78/25/1005017825.db2.gz SHLCXVSCFDGBGC-UHFFFAOYSA-N 1 0 408.506 3.981 20 5 HHBDRO CS(=O)(=O)c1ccc(F)c(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000502335904 1005018911 /nfs/dbraw/zinc/01/89/11/1005018911.db2.gz UUGYPQFOPXMRRG-LIRRHRJNSA-N 1 0 406.479 3.638 20 5 HHBDRO Cc1ccc(NCCCNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000511246631 1005089429 /nfs/dbraw/zinc/08/94/29/1005089429.db2.gz GZLVATIALPZGKO-QZTJIDSGSA-N 1 0 417.554 3.657 20 5 HHBDRO CCCOc1cc(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c([N+](=O)[O-])cc1OCCC ZINC000511249321 1005090901 /nfs/dbraw/zinc/09/09/01/1005090901.db2.gz OHELXYLDSFLJKC-OAHLLOKOSA-N 1 0 420.510 3.944 20 5 HHBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000502536950 1005108466 /nfs/dbraw/zinc/10/84/66/1005108466.db2.gz CIKYYCBNTIYPCB-RBUKOAKNSA-N 1 0 421.563 3.668 20 5 HHBDRO Cn1ccnc1[C@@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000513761133 1005113864 /nfs/dbraw/zinc/11/38/64/1005113864.db2.gz MHMQLGHDDABCSE-VXKWHMMOSA-N 1 0 405.502 3.844 20 5 HHBDRO C[NH+](C)CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCCCC1 ZINC000511336248 1005129089 /nfs/dbraw/zinc/12/90/89/1005129089.db2.gz XTHFSDARULCFMU-UHFFFAOYSA-N 1 0 405.542 3.878 20 5 HHBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511369921 1005142758 /nfs/dbraw/zinc/14/27/58/1005142758.db2.gz QFAVKQDJJAPRTB-STQMWFEESA-N 1 0 410.312 3.740 20 5 HHBDRO NC(=O)c1ccc(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000511588888 1005236385 /nfs/dbraw/zinc/23/63/85/1005236385.db2.gz STRYBRGRIZNUHE-KRWDZBQOSA-N 1 0 409.364 3.833 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000502875200 1005253617 /nfs/dbraw/zinc/25/36/17/1005253617.db2.gz BYLKHGDMNDOCJB-OAQYLSRUSA-N 1 0 401.438 3.811 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCCC[C@@H]3CN3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000514095316 1005263050 /nfs/dbraw/zinc/26/30/50/1005263050.db2.gz QRDZFOMQMVBBAX-QGZVFWFLSA-N 1 0 415.490 3.550 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000514104063 1005266936 /nfs/dbraw/zinc/26/69/36/1005266936.db2.gz HEGHGCSAGVCIRE-HSZRJFAPSA-N 1 0 419.529 3.980 20 5 HHBDRO CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000502912647 1005271691 /nfs/dbraw/zinc/27/16/91/1005271691.db2.gz NVNGNYJXRZTXHZ-QGZVFWFLSA-N 1 0 412.490 3.971 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)o2)cc1 ZINC000511679603 1005273638 /nfs/dbraw/zinc/27/36/38/1005273638.db2.gz FIXHOHNIWMRCIP-AABGKKOBSA-N 1 0 406.442 3.649 20 5 HHBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514186918 1005303467 /nfs/dbraw/zinc/30/34/67/1005303467.db2.gz UCKKQEDPAMALHE-MRXNPFEDSA-N 1 0 405.401 3.591 20 5 HHBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000502994566 1005308087 /nfs/dbraw/zinc/30/80/87/1005308087.db2.gz CRYFXHOMDJOYIT-IBGZPJMESA-N 1 0 402.539 3.582 20 5 HHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000511766194 1005314951 /nfs/dbraw/zinc/31/49/51/1005314951.db2.gz CDRFJEGHUWAYPZ-NRFANRHFSA-N 1 0 411.502 3.781 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000511775356 1005320252 /nfs/dbraw/zinc/32/02/52/1005320252.db2.gz HAACYMZEUUVPAO-KCZVDYSFSA-N 1 0 409.486 3.736 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)n2)cc1 ZINC000511780635 1005323795 /nfs/dbraw/zinc/32/37/95/1005323795.db2.gz ITOSCMLXBIDQRD-AABGKKOBSA-N 1 0 406.442 3.649 20 5 HHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000514241601 1005328429 /nfs/dbraw/zinc/32/84/29/1005328429.db2.gz LQCZRXUGFPAUAI-FQEVSTJZSA-N 1 0 416.909 3.927 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000503061229 1005332599 /nfs/dbraw/zinc/33/25/99/1005332599.db2.gz ATJCMPIVCCMCKW-HNNXBMFYSA-N 1 0 400.479 3.532 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000503855546 1005500850 /nfs/dbraw/zinc/50/08/50/1005500850.db2.gz LAKXDVJFXQQUSS-NVXWUHKLSA-N 1 0 415.515 3.695 20 5 HHBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000531150846 1006019574 /nfs/dbraw/zinc/01/95/74/1006019574.db2.gz GTMXIBCQVYRZPO-UHFFFAOYSA-N 1 0 406.486 3.708 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000514821019 1006153056 /nfs/dbraw/zinc/15/30/56/1006153056.db2.gz YFTDTGNKKXTFML-QZTJIDSGSA-N 1 0 410.474 3.589 20 5 HHBDRO CC(C)n1cc([C@@H](C)[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cn1 ZINC000514831200 1006161025 /nfs/dbraw/zinc/16/10/25/1006161025.db2.gz KWWONIJMWYCLFQ-LLVKDONJSA-N 1 0 414.247 3.828 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534213324 1006207806 /nfs/dbraw/zinc/20/78/06/1006207806.db2.gz JENVYNYTPRDMEI-NHCUHLMSSA-N 1 0 417.554 3.704 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534251553 1006259023 /nfs/dbraw/zinc/25/90/23/1006259023.db2.gz OYILJOAWLQCEJO-QGZVFWFLSA-N 1 0 407.474 3.598 20 5 HHBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000531617651 1006309074 /nfs/dbraw/zinc/30/90/74/1006309074.db2.gz MEEFKEJWQPHZFC-UHFFFAOYSA-N 1 0 423.922 3.535 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531811475 1006445531 /nfs/dbraw/zinc/44/55/31/1006445531.db2.gz FQTIJHILSZABCU-IERDGZPVSA-N 1 0 411.502 3.755 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000531882267 1006496578 /nfs/dbraw/zinc/49/65/78/1006496578.db2.gz ZCQXMQWZZPCXPQ-KSSFIOAISA-N 1 0 422.407 3.822 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000534518984 1006514436 /nfs/dbraw/zinc/51/44/36/1006514436.db2.gz LHQJZPRXXWMMKH-UHFFFAOYSA-N 1 0 408.502 3.636 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000534520527 1006516965 /nfs/dbraw/zinc/51/69/65/1006516965.db2.gz DGCCJGDIMQLCHK-RXVVDRJESA-N 1 0 424.545 3.734 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCCC[C@H]3N3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000531916490 1006518695 /nfs/dbraw/zinc/51/86/95/1006518695.db2.gz XTOZYVLEKZSJLM-WOJBJXKFSA-N 1 0 415.490 3.596 20 5 HHBDRO O=C(NCCCF)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000532011793 1006574493 /nfs/dbraw/zinc/57/44/93/1006574493.db2.gz YFGPIADRDQUUJJ-UHFFFAOYSA-N 1 0 406.483 3.510 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(CNC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)cs2)c1 ZINC000532015573 1006577237 /nfs/dbraw/zinc/57/72/37/1006577237.db2.gz DUYACFGFVRABEB-UXHICEINSA-N 1 0 416.547 3.576 20 5 HHBDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000538419192 1006687121 /nfs/dbraw/zinc/68/71/21/1006687121.db2.gz DSXRSZPYQHTKLG-WFASDCNBSA-N 1 0 412.895 3.954 20 5 HHBDRO CSc1ccc([C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000515906572 1006751455 /nfs/dbraw/zinc/75/14/55/1006751455.db2.gz WEPVACPRDLXYEJ-SFHVURJKSA-N 1 0 409.458 3.557 20 5 HHBDRO COc1cc(C[NH2+][C@@H](C)Cc2cc(C)n[nH]2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000532269697 1006759164 /nfs/dbraw/zinc/75/91/64/1006759164.db2.gz QBTACUHVTOATPH-HNNXBMFYSA-N 1 0 410.474 3.935 20 5 HHBDRO NC(=O)[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1ccc(F)cc1 ZINC000538533890 1006795021 /nfs/dbraw/zinc/79/50/21/1006795021.db2.gz DUGQOJHRPBHYGT-INIZCTEOSA-N 1 0 413.474 3.896 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000532328803 1006796452 /nfs/dbraw/zinc/79/64/52/1006796452.db2.gz NDHQDLCLTBBBNZ-SFHVURJKSA-N 1 0 408.458 3.553 20 5 HHBDRO O=C1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1c1c(F)cccc1F ZINC000538548616 1006813032 /nfs/dbraw/zinc/81/30/32/1006813032.db2.gz QCYDPTLWZKDXSH-YJBOKZPZSA-N 1 0 401.413 3.589 20 5 HHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000538573838 1006840766 /nfs/dbraw/zinc/84/07/66/1006840766.db2.gz UAZCMXBJFFNXEZ-UHFFFAOYSA-N 1 0 421.563 3.862 20 5 HHBDRO COC(=O)CC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCOCC1 ZINC000538603361 1006876904 /nfs/dbraw/zinc/87/69/04/1006876904.db2.gz BKOLWCLAKKNXNC-UHFFFAOYSA-N 1 0 408.838 3.710 20 5 HHBDRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)CC1 ZINC000516094774 1006878816 /nfs/dbraw/zinc/87/88/16/1006878816.db2.gz ZLEQARCFRIDSJB-UHFFFAOYSA-N 1 0 420.517 3.680 20 5 HHBDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000532512062 1006949984 /nfs/dbraw/zinc/94/99/84/1006949984.db2.gz ZTMLDVUFDJLNER-AEFFLSMTSA-N 1 0 414.506 3.809 20 5 HHBDRO CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000532533334 1006968140 /nfs/dbraw/zinc/96/81/40/1006968140.db2.gz MDINRSMUUDBHCB-AVRDEDQJSA-N 1 0 410.518 3.715 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534959604 1007006298 /nfs/dbraw/zinc/00/62/98/1007006298.db2.gz CCRFCZRUMFUHOS-XOBRGWDASA-N 1 0 421.856 3.575 20 5 HHBDRO CN(c1ccccc1)c1ccc(CN2CCC([N@H+](C)CCCO)CC2)cc1[N+](=O)[O-] ZINC000538740304 1007024055 /nfs/dbraw/zinc/02/40/55/1007024055.db2.gz CELCTFYZPOARKF-UHFFFAOYSA-N 1 0 412.534 3.641 20 5 HHBDRO C[NH+](C)Cc1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1F ZINC000534973417 1007030636 /nfs/dbraw/zinc/03/06/36/1007030636.db2.gz RBFUSRLGNYTDSN-UHFFFAOYSA-N 1 0 400.454 3.644 20 5 HHBDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000538751537 1007036200 /nfs/dbraw/zinc/03/62/00/1007036200.db2.gz XFBSMJFOIUHGJK-IBGZPJMESA-N 1 0 404.536 3.651 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cc2)C[C@@H](C)O1 ZINC000534984280 1007042789 /nfs/dbraw/zinc/04/27/89/1007042789.db2.gz DGQNAUSYSKAGQR-HZPDHXFCSA-N 1 0 422.485 3.615 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(c4c[nH]c5ncccc45)CC3)n2)c1 ZINC000532710498 1007124247 /nfs/dbraw/zinc/12/42/47/1007124247.db2.gz UKYAFDJEJZTGFE-UHFFFAOYSA-N 1 0 404.430 3.901 20 5 HHBDRO O=C(C1CC1)N1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000532760366 1007166202 /nfs/dbraw/zinc/16/62/02/1007166202.db2.gz WCUPNEGDAMITGU-UHFFFAOYSA-N 1 0 403.866 3.999 20 5 HHBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCOc1ccc(Cl)cc1 ZINC000532774142 1007174661 /nfs/dbraw/zinc/17/46/61/1007174661.db2.gz LYSRKPCDRUPOHS-UHFFFAOYSA-N 1 0 405.838 3.557 20 5 HHBDRO COc1cc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000516686319 1007232807 /nfs/dbraw/zinc/23/28/07/1007232807.db2.gz VFQGIITUSNLDLU-DZGCQCFKSA-N 1 0 417.428 3.603 20 5 HHBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000516754702 1007275241 /nfs/dbraw/zinc/27/52/41/1007275241.db2.gz XMIQZFPZJNTRGM-IBGZPJMESA-N 1 0 417.893 3.970 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000516759718 1007277019 /nfs/dbraw/zinc/27/70/19/1007277019.db2.gz CMYCRNIEIOSKDT-UHFFFAOYSA-N 1 0 403.866 3.651 20 5 HHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CC2CCCCC2)CC1 ZINC000532926347 1007298521 /nfs/dbraw/zinc/29/85/21/1007298521.db2.gz JMKCMGRWLZHVID-OAHLLOKOSA-N 1 0 408.930 3.773 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000539021160 1007318233 /nfs/dbraw/zinc/31/82/33/1007318233.db2.gz UNMCDWKTKODVPC-QGZVFWFLSA-N 1 0 417.531 3.929 20 5 HHBDRO C[C@H]([NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000539055017 1007350651 /nfs/dbraw/zinc/35/06/51/1007350651.db2.gz OQESYVWKFZARIT-HNNXBMFYSA-N 1 0 421.494 3.628 20 5 HHBDRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000539073319 1007365256 /nfs/dbraw/zinc/36/52/56/1007365256.db2.gz PNYLPSRRVFLRMT-GFCCVEGCSA-N 1 0 422.279 3.873 20 5 HHBDRO CCC(CC)(CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000517059044 1007389215 /nfs/dbraw/zinc/38/92/15/1007389215.db2.gz MGIAMEGZFQJSIO-HNNXBMFYSA-N 1 0 420.535 3.564 20 5 HHBDRO COc1cc(C[NH2+][C@@H](C)Cc2cc(Br)ccc2F)c([N+](=O)[O-])cc1O ZINC000539104857 1007392312 /nfs/dbraw/zinc/39/23/12/1007392312.db2.gz ZITNZDLGULCENH-JTQLQIEISA-N 1 0 413.243 3.931 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000533052699 1007416137 /nfs/dbraw/zinc/41/61/37/1007416137.db2.gz RDPWBUUWMLGPQY-UHFFFAOYSA-N 1 0 414.437 3.608 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000533065227 1007428138 /nfs/dbraw/zinc/42/81/38/1007428138.db2.gz GHOWCORZOJCXGY-UHFFFAOYSA-N 1 0 421.457 3.649 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[C@@H]1c1ccccc1 ZINC000535394602 1007461087 /nfs/dbraw/zinc/46/10/87/1007461087.db2.gz JOYPZNIFWANMLY-VXKWHMMOSA-N 1 0 424.501 3.593 20 5 HHBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000535408999 1007478003 /nfs/dbraw/zinc/47/80/03/1007478003.db2.gz ZXGTUDSOMKLFDM-GGAORHGYSA-N 1 0 422.529 3.833 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000535440533 1007502331 /nfs/dbraw/zinc/50/23/31/1007502331.db2.gz LEQLVRDHTXOMGN-IRXDYDNUSA-N 1 0 420.513 3.891 20 5 HHBDRO COc1cc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000539252178 1007545077 /nfs/dbraw/zinc/54/50/77/1007545077.db2.gz CLSQFJAZMRUNSO-OAHLLOKOSA-N 1 0 401.463 3.704 20 5 HHBDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000539255817 1007549466 /nfs/dbraw/zinc/54/94/66/1007549466.db2.gz QZBXMCVNZLNLRN-CQSZACIVSA-N 1 0 424.457 3.592 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000539266921 1007562147 /nfs/dbraw/zinc/56/21/47/1007562147.db2.gz GAJITOOXKOYZQB-OAHLLOKOSA-N 1 0 401.463 3.990 20 5 HHBDRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000539341464 1007642710 /nfs/dbraw/zinc/64/27/10/1007642710.db2.gz YSDINJVOOLYQHH-UHFFFAOYSA-N 1 0 417.893 3.695 20 5 HHBDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000533365472 1007673759 /nfs/dbraw/zinc/67/37/59/1007673759.db2.gz BGQUWNUQIOXZOU-GOSISDBHSA-N 1 0 412.490 3.816 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000539372426 1007676906 /nfs/dbraw/zinc/67/69/06/1007676906.db2.gz ALRVBPFTICKOQR-UHFFFAOYSA-N 1 0 421.563 3.812 20 5 HHBDRO COc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000539379754 1007684418 /nfs/dbraw/zinc/68/44/18/1007684418.db2.gz QZERWUGKVLMZAC-LBPRGKRZSA-N 1 0 407.854 3.863 20 5 HHBDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1F ZINC000535674591 1007697828 /nfs/dbraw/zinc/69/78/28/1007697828.db2.gz HBGNJRVIEDVGKZ-UHFFFAOYSA-N 1 0 412.368 3.719 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535679604 1007707663 /nfs/dbraw/zinc/70/76/63/1007707663.db2.gz JRLMBTLKBKKBFP-XOBRGWDASA-N 1 0 421.856 3.575 20 5 HHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000533413876 1007720819 /nfs/dbraw/zinc/72/08/19/1007720819.db2.gz UXZLVCQNTSMTRT-GOSISDBHSA-N 1 0 410.518 3.766 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533480650 1007788532 /nfs/dbraw/zinc/78/85/32/1007788532.db2.gz DJVNHBMSPCYLHH-UHFFFAOYSA-N 1 0 421.457 3.598 20 5 HHBDRO O=C(NC[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(F)c1 ZINC000533508183 1007823833 /nfs/dbraw/zinc/82/38/33/1007823833.db2.gz PWHVCMZMUJTCDE-MRXNPFEDSA-N 1 0 416.453 3.646 20 5 HHBDRO COc1ccc(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000539514622 1007825113 /nfs/dbraw/zinc/82/51/13/1007825113.db2.gz QCGLBVCGHJPPCB-UHFFFAOYSA-N 1 0 400.866 3.990 20 5 HHBDRO CCOc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000517622684 1007830955 /nfs/dbraw/zinc/83/09/55/1007830955.db2.gz KKUSGQNDAPOYND-QGZVFWFLSA-N 1 0 419.522 3.777 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000539527465 1007836295 /nfs/dbraw/zinc/83/62/95/1007836295.db2.gz MHAYDCANJHASFZ-IBGZPJMESA-N 1 0 411.502 3.795 20 5 HHBDRO CN(C(=O)C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000533520263 1007839779 /nfs/dbraw/zinc/83/97/79/1007839779.db2.gz DZLNKTOOTRFEHV-UHFFFAOYSA-N 1 0 403.866 3.507 20 5 HHBDRO O=C(C[NH2+]C1(c2ccc(F)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533526859 1007846687 /nfs/dbraw/zinc/84/66/87/1007846687.db2.gz FYJBZYYUFYKMAX-UHFFFAOYSA-N 1 0 408.227 3.714 20 5 HHBDRO COc1cc(C[NH2+]CCc2c[nH]c3ncccc23)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000533562338 1007874570 /nfs/dbraw/zinc/87/45/70/1007874570.db2.gz FIVPRZCYRUWMNK-UHFFFAOYSA-N 1 0 424.379 3.753 20 5 HHBDRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000517699615 1007913196 /nfs/dbraw/zinc/91/31/96/1007913196.db2.gz ZBSQNMXSBMHXHG-UHFFFAOYSA-N 1 0 403.866 3.653 20 5 HHBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)CC1 ZINC000535900391 1007919041 /nfs/dbraw/zinc/91/90/41/1007919041.db2.gz LNQCZSMUSAOKRP-MRXNPFEDSA-N 1 0 400.504 3.522 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)cc2[N+](=O)[O-])C1 ZINC000535986516 1008025392 /nfs/dbraw/zinc/02/53/92/1008025392.db2.gz PGSKZYLABPGHOA-PXNSSMCTSA-N 1 0 414.550 3.635 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536065518 1008093743 /nfs/dbraw/zinc/09/37/43/1008093743.db2.gz SOIPANHVPFHVEC-ROUUACIJSA-N 1 0 422.529 3.819 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)cccc1[N+](=O)[O-] ZINC000536068260 1008096771 /nfs/dbraw/zinc/09/67/71/1008096771.db2.gz YOIMOJWNRXZSAG-KRWDZBQOSA-N 1 0 407.474 3.746 20 5 HHBDRO C[N@H+](CCn1cccn1)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539830856 1008124313 /nfs/dbraw/zinc/12/43/13/1008124313.db2.gz ZDVVVFIXXSFGAP-UHFFFAOYSA-N 1 0 402.458 3.776 20 5 HHBDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000539830807 1008124349 /nfs/dbraw/zinc/12/43/49/1008124349.db2.gz VDSRVVVEZMKVRN-UHFFFAOYSA-N 1 0 423.560 3.569 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)o2)c(Cl)c1 ZINC000539835011 1008127831 /nfs/dbraw/zinc/12/78/31/1008127831.db2.gz AOENUCUSITZXJN-HNNXBMFYSA-N 1 0 405.882 3.662 20 5 HHBDRO CCOc1cc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000539837127 1008129463 /nfs/dbraw/zinc/12/94/63/1008129463.db2.gz CTXBZQJZVJTOAG-HDICACEKSA-N 1 0 414.506 3.665 20 5 HHBDRO CCOc1cc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OCC ZINC000518094095 1008155232 /nfs/dbraw/zinc/15/52/32/1008155232.db2.gz BBNLRASPOYXPHF-MRXNPFEDSA-N 1 0 420.510 3.874 20 5 HHBDRO CC(C)[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCc2ccccc2C1 ZINC000533883338 1008178716 /nfs/dbraw/zinc/17/87/16/1008178716.db2.gz NWDCVVMDXUDOBD-QHCPKHFHSA-N 1 0 420.513 3.818 20 5 HHBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000539931960 1008190780 /nfs/dbraw/zinc/19/07/80/1008190780.db2.gz OXJZMTFKOMNCBT-HXUWFJFHSA-N 1 0 417.893 3.753 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000539936273 1008193640 /nfs/dbraw/zinc/19/36/40/1008193640.db2.gz YAYUIEWLBCYACR-YQQQUEKLSA-N 1 0 409.486 3.919 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1c1cccs1 ZINC000533939723 1008220374 /nfs/dbraw/zinc/22/03/74/1008220374.db2.gz TXHPJTNAHWMPMF-LHSJRXKWSA-N 1 0 412.515 3.879 20 5 HHBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(F)c1N1CCOCC1 ZINC000518264478 1008232613 /nfs/dbraw/zinc/23/26/13/1008232613.db2.gz PAAJYVGVLBXKOM-SFHVURJKSA-N 1 0 418.469 3.803 20 5 HHBDRO CC[N@H+](CCC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1)CC1CC1 ZINC000540046594 1008256110 /nfs/dbraw/zinc/25/61/10/1008256110.db2.gz GXFOHDGEUCALAZ-UHFFFAOYSA-N 1 0 413.522 3.979 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000540117551 1008296868 /nfs/dbraw/zinc/29/68/68/1008296868.db2.gz GLFBDQSCDLANSB-KRWDZBQOSA-N 1 0 417.531 3.929 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)COc1ccccc1Br ZINC000540157006 1008315023 /nfs/dbraw/zinc/31/50/23/1008315023.db2.gz XMBVPLCYCXNHLH-ZFWWWQNUSA-N 1 0 409.280 3.756 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1[N+](=O)[O-] ZINC000540219326 1008340680 /nfs/dbraw/zinc/34/06/80/1008340680.db2.gz CPPACFZCWDBXHO-HOTGVXAUSA-N 1 0 403.504 3.855 20 5 HHBDRO COc1cc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(OC)c1OC ZINC000540324414 1008380621 /nfs/dbraw/zinc/38/06/21/1008380621.db2.gz BAPMWGMFHMKHII-CQSZACIVSA-N 1 0 417.462 3.608 20 5 HHBDRO COc1ccc(S(=O)(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000540339156 1008387324 /nfs/dbraw/zinc/38/73/24/1008387324.db2.gz QUDAJRZXBXCSCP-HNNXBMFYSA-N 1 0 419.503 3.779 20 5 HHBDRO CC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1OC(F)F ZINC000540354880 1008395959 /nfs/dbraw/zinc/39/59/59/1008395959.db2.gz SLSDNBRVGARSPJ-INIZCTEOSA-N 1 0 405.401 3.826 20 5 HHBDRO COc1cc([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1OC(C)C ZINC000540354852 1008396143 /nfs/dbraw/zinc/39/61/43/1008396143.db2.gz SZINDJNVGGEEGI-OAHLLOKOSA-N 1 0 413.474 3.631 20 5 HHBDRO COc1ccc(C2([NH2+]CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)CC2)cc1 ZINC000540358562 1008398481 /nfs/dbraw/zinc/39/84/81/1008398481.db2.gz DHBZQFYZIVYEKJ-UHFFFAOYSA-N 1 0 420.263 3.583 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000540408239 1008420353 /nfs/dbraw/zinc/42/03/53/1008420353.db2.gz PYSRQZCRPKTGLK-MRXNPFEDSA-N 1 0 410.474 3.709 20 5 HHBDRO O=C(C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000540408941 1008420817 /nfs/dbraw/zinc/42/08/17/1008420817.db2.gz LWHTVJLHVFSNOW-OAQYLSRUSA-N 1 0 415.421 3.922 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000540432762 1008431326 /nfs/dbraw/zinc/43/13/26/1008431326.db2.gz VAMAUSOHONQPJE-HNNXBMFYSA-N 1 0 406.442 3.955 20 5 HHBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000518847732 1008443953 /nfs/dbraw/zinc/44/39/53/1008443953.db2.gz ZVUUBILUWZTQFU-FQEVSTJZSA-N 1 0 410.518 3.815 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)cc1[N+](=O)[O-] ZINC000540475574 1008446549 /nfs/dbraw/zinc/44/65/49/1008446549.db2.gz PQMUMXSWSOHAEH-QRWLVFNGSA-N 1 0 410.499 3.916 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000518901536 1008466079 /nfs/dbraw/zinc/46/60/79/1008466079.db2.gz XCUWEYRASXJEST-SEJPIABJSA-N 1 0 418.497 3.861 20 5 HHBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000519108891 1008541068 /nfs/dbraw/zinc/54/10/68/1008541068.db2.gz NWOJHVBCHMWZHI-UHFFFAOYSA-N 1 0 411.506 3.699 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000542992589 1008572915 /nfs/dbraw/zinc/57/29/15/1008572915.db2.gz KSUNAJGDUGEHDB-UHFFFAOYSA-N 1 0 424.929 3.547 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000549036490 1008604612 /nfs/dbraw/zinc/60/46/12/1008604612.db2.gz NOQIWFMKVXGICX-UHFFFAOYSA-N 1 0 411.502 3.774 20 5 HHBDRO CCOC(=O)C1CCC([N@H+](CC)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000549178983 1008750959 /nfs/dbraw/zinc/75/09/59/1008750959.db2.gz YNHZYEAONNJOPM-UHFFFAOYSA-N 1 0 405.495 3.676 20 5 HHBDRO Cc1c[nH+]ccc1N1CCC(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC1 ZINC000545670535 1008763134 /nfs/dbraw/zinc/76/31/34/1008763134.db2.gz BAOWCUMTZAVURN-UHFFFAOYSA-N 1 0 408.462 3.720 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000543232064 1008799501 /nfs/dbraw/zinc/79/95/01/1008799501.db2.gz MJRNKXZVYTVPTD-HXUWFJFHSA-N 1 0 412.490 3.548 20 5 HHBDRO C[NH+](C)CCOc1ccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000543290689 1008865237 /nfs/dbraw/zinc/86/52/37/1008865237.db2.gz BHGVGDNEHDBVAJ-UHFFFAOYSA-N 1 0 423.922 3.597 20 5 HHBDRO CC(C)([C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000543409327 1009003153 /nfs/dbraw/zinc/00/31/53/1009003153.db2.gz ZYQDIUIXNNCQAP-LJQANCHMSA-N 1 0 418.444 3.801 20 5 HHBDRO CCc1ccc([C@H]([NH2+]CCC2CCS(=O)(=O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543423892 1009015291 /nfs/dbraw/zinc/01/52/91/1009015291.db2.gz GUWMRPYHLLDYDI-HXUWFJFHSA-N 1 0 406.504 3.644 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000519842045 1009025265 /nfs/dbraw/zinc/02/52/65/1009025265.db2.gz ONBPFMLVZUDVEG-KRWDZBQOSA-N 1 0 424.270 3.838 20 5 HHBDRO C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000519844508 1009027509 /nfs/dbraw/zinc/02/75/09/1009027509.db2.gz XHDWINMHGXUSPT-KOSHJBKYSA-N 1 0 403.482 3.835 20 5 HHBDRO COC(=O)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000543460557 1009046332 /nfs/dbraw/zinc/04/63/32/1009046332.db2.gz OLELTNOQALACGS-SJCJKPOMSA-N 1 0 411.886 3.677 20 5 HHBDRO COC(=O)C[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000543460559 1009046766 /nfs/dbraw/zinc/04/67/66/1009046766.db2.gz OLELTNOQALACGS-SJKOYZFVSA-N 1 0 411.886 3.677 20 5 HHBDRO Cc1cc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549524244 1009133395 /nfs/dbraw/zinc/13/33/95/1009133395.db2.gz IHZOLSISYCPHNK-JTQLQIEISA-N 1 0 401.414 3.669 20 5 HHBDRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543598502 1009203554 /nfs/dbraw/zinc/20/35/54/1009203554.db2.gz DSQFVFRAVXZTDO-LBPRGKRZSA-N 1 0 411.549 3.782 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)c(C)c2)CC1 ZINC000543640265 1009243710 /nfs/dbraw/zinc/24/37/10/1009243710.db2.gz BOWRAAHZODBBQN-UHFFFAOYSA-N 1 0 401.442 3.828 20 5 HHBDRO C[NH+](C)CCOc1ccc(-c2noc(CSc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000546293771 1009312140 /nfs/dbraw/zinc/31/21/40/1009312140.db2.gz AXAKAWIAWSXQHY-UHFFFAOYSA-N 1 0 400.460 3.878 20 5 HHBDRO O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000520246001 1009365653 /nfs/dbraw/zinc/36/56/53/1009365653.db2.gz BGBLMPCBYQLTTA-SFHVURJKSA-N 1 0 405.458 3.631 20 5 HHBDRO C/C(=C/c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000546419018 1009438599 /nfs/dbraw/zinc/43/85/99/1009438599.db2.gz BYMQHQHQRVQMOT-NXVVXOECSA-N 1 0 405.458 3.957 20 5 HHBDRO CSc1ccc(-c2nc(-c3ccccc3N3CC[NH+](C)CC3)no2)cc1[N+](=O)[O-] ZINC000546426040 1009445430 /nfs/dbraw/zinc/44/54/30/1009445430.db2.gz WBKLTSNVQHVALL-UHFFFAOYSA-N 1 0 411.487 3.786 20 5 HHBDRO COCC[N@@H+]1CCCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)CC1 ZINC000520407139 1009537728 /nfs/dbraw/zinc/53/77/28/1009537728.db2.gz LKTZXNHEILACBY-UHFFFAOYSA-N 1 0 409.552 3.527 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCOc1cccc2cccnc21 ZINC000544019902 1009620632 /nfs/dbraw/zinc/62/06/32/1009620632.db2.gz VXAPGBKUVXQPIH-MRXNPFEDSA-N 1 0 408.458 3.919 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccsc1 ZINC000520675526 1009747589 /nfs/dbraw/zinc/74/75/89/1009747589.db2.gz UUJOLCCUIGKFFF-SFHVURJKSA-N 1 0 418.519 3.643 20 5 HHBDRO O=C1[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCN1Cc1ccccn1 ZINC000544182955 1009786758 /nfs/dbraw/zinc/78/67/58/1009786758.db2.gz IAGGLYZDJXXITF-HXUWFJFHSA-N 1 0 422.510 3.999 20 5 HHBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000520751830 1009820744 /nfs/dbraw/zinc/82/07/44/1009820744.db2.gz SOBXFRBSMUSMIE-UHFFFAOYSA-N 1 0 401.894 3.819 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)[NH2+]C2(Cc3cccc(F)c3)CCOCC2)cccc1[N+](=O)[O-] ZINC000550274196 1009824675 /nfs/dbraw/zinc/82/46/75/1009824675.db2.gz YTUZAPWUHMXSSQ-MRXNPFEDSA-N 1 0 415.465 3.751 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CCC4(CCC[N@@H+]4C)CC3)cc2[N+](=O)[O-])CC1 ZINC000546977483 1009933184 /nfs/dbraw/zinc/93/31/84/1009933184.db2.gz NXWDWXXACMIOGW-UHFFFAOYSA-N 1 0 400.523 3.532 20 5 HHBDRO CCc1ccc([C@@H](NC[C@@H](C)C[NH+]2CCN(CC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544357273 1009983291 /nfs/dbraw/zinc/98/32/91/1009983291.db2.gz IWAKYWGIJCSSOV-JPYJTQIMSA-N 1 0 414.550 3.703 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000520990417 1010030318 /nfs/dbraw/zinc/03/03/18/1010030318.db2.gz MOGXABMYCLORSA-CQSZACIVSA-N 1 0 423.872 3.745 20 5 HHBDRO CC(C)[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nnc2ccccn21 ZINC000544433471 1010057942 /nfs/dbraw/zinc/05/79/42/1010057942.db2.gz KBERNCNWCKOCNH-HXUWFJFHSA-N 1 0 406.446 3.822 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000550649954 1010083038 /nfs/dbraw/zinc/08/30/38/1010083038.db2.gz LCQWNSRMFKCTHH-KRWDZBQOSA-N 1 0 406.280 3.698 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000544574356 1010203400 /nfs/dbraw/zinc/20/34/00/1010203400.db2.gz RZVUKAPKNSQMLO-MOPGFXCFSA-N 1 0 408.907 3.948 20 5 HHBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c(F)c1N1CCOCC1 ZINC000521312781 1010297594 /nfs/dbraw/zinc/29/75/94/1010297594.db2.gz GVFCWQKXVSAFTQ-KRWDZBQOSA-N 1 0 420.510 3.881 20 5 HHBDRO C[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000551004365 1010311604 /nfs/dbraw/zinc/31/16/04/1010311604.db2.gz RJUZTIZSIBUPPO-NSHDSACASA-N 1 0 402.394 3.868 20 5 HHBDRO COCCN1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000521336511 1010314087 /nfs/dbraw/zinc/31/40/87/1010314087.db2.gz JYKJXKIEOSJRKG-INIZCTEOSA-N 1 0 405.882 3.851 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000544741911 1010347441 /nfs/dbraw/zinc/34/74/41/1010347441.db2.gz CIDBGYBZJKMKLP-MRXNPFEDSA-N 1 0 403.504 3.911 20 5 HHBDRO CS[C@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@H]1[NH+](C)C ZINC000544790409 1010385326 /nfs/dbraw/zinc/38/53/26/1010385326.db2.gz IZBSFWFODZNNAX-MOPGFXCFSA-N 1 0 416.503 3.896 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000551239669 1010458646 /nfs/dbraw/zinc/45/86/46/1010458646.db2.gz ZGWUFSSYWYISJF-HUUCEWRRSA-N 1 0 411.437 3.988 20 5 HHBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000547945704 1010476257 /nfs/dbraw/zinc/47/62/57/1010476257.db2.gz KRMKBKCLZOSACE-SFHVURJKSA-N 1 0 406.433 3.557 20 5 HHBDRO Cc1c(Cl)cccc1N1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000551443413 1010588734 /nfs/dbraw/zinc/58/87/34/1010588734.db2.gz ABADJZLKAOVVNR-KRWDZBQOSA-N 1 0 419.909 3.509 20 5 HHBDRO COC1CC[NH+](C2(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CCCC2)CC1 ZINC000545113597 1010623580 /nfs/dbraw/zinc/62/35/80/1010623580.db2.gz CUWHJZPCXLZAHU-UHFFFAOYSA-N 1 0 421.513 3.551 20 5 HHBDRO CCOc1cc(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000521924934 1010715273 /nfs/dbraw/zinc/71/52/73/1010715273.db2.gz SEQASTACBRASPY-UHFFFAOYSA-N 1 0 415.490 3.772 20 5 HHBDRO CC[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000545397514 1010772354 /nfs/dbraw/zinc/77/23/54/1010772354.db2.gz OZSCMOSLFRWUJS-IBGZPJMESA-N 1 0 407.474 3.741 20 5 HHBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000522050551 1010780436 /nfs/dbraw/zinc/78/04/36/1010780436.db2.gz VPNHGQMXOUZKPO-UHFFFAOYSA-N 1 0 412.490 3.767 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000522205664 1010864990 /nfs/dbraw/zinc/86/49/90/1010864990.db2.gz UCBQHENSCGSAHN-MRXNPFEDSA-N 1 0 414.481 3.675 20 5 HHBDRO Cc1ccc(C[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccn2)cc1 ZINC000522380051 1010969069 /nfs/dbraw/zinc/96/90/69/1010969069.db2.gz XJPNSPRWWWRUCU-PKTZIBPZSA-N 1 0 416.481 3.977 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000522641053 1011130317 /nfs/dbraw/zinc/13/03/17/1011130317.db2.gz MRIQCYIWMOJOJH-HLLBOEOZSA-N 1 0 409.914 3.881 20 5 HHBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000522661747 1011145632 /nfs/dbraw/zinc/14/56/32/1011145632.db2.gz VMAAPHPPXFELFN-CQSZACIVSA-N 1 0 402.520 3.959 20 5 HHBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000522888159 1011334520 /nfs/dbraw/zinc/33/45/20/1011334520.db2.gz YBTCKCGQCSCSDI-UHFFFAOYSA-N 1 0 415.515 3.860 20 5 HHBDRO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000540768249 1011424487 /nfs/dbraw/zinc/42/44/87/1011424487.db2.gz IZHHVMDDYLULEM-SFHVURJKSA-N 1 0 407.392 3.894 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H]1c1ccccc1 ZINC000536262382 1011428674 /nfs/dbraw/zinc/42/86/74/1011428674.db2.gz HEQSAMSQQKWCJC-IRXDYDNUSA-N 1 0 404.264 3.533 20 5 HHBDRO COc1cc(CNc2cc(C[NH+](C)C)ccn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000540808139 1011469694 /nfs/dbraw/zinc/46/96/94/1011469694.db2.gz WPXZWIYRAAOQIR-UHFFFAOYSA-N 1 0 414.384 3.613 20 5 HHBDRO CC[NH+](CC)CCOC1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000536350495 1011557420 /nfs/dbraw/zinc/55/74/20/1011557420.db2.gz WUONCVHWZHGBIR-UHFFFAOYSA-N 1 0 402.495 3.573 20 5 HHBDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]2C ZINC000541059689 1011699369 /nfs/dbraw/zinc/69/93/69/1011699369.db2.gz NLJRPGNHELHLLH-GJZGRUSLSA-N 1 0 413.474 3.948 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000541098670 1011744905 /nfs/dbraw/zinc/74/49/05/1011744905.db2.gz MWJRNMJSSDHUSH-UHFFFAOYSA-N 1 0 404.511 3.969 20 5 HHBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000536663025 1011812050 /nfs/dbraw/zinc/81/20/50/1011812050.db2.gz RLHWDGBHCPVGSM-DZGCQCFKSA-N 1 0 419.444 3.849 20 5 HHBDRO CCC1(O)CC[NH+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000536680734 1011843974 /nfs/dbraw/zinc/84/39/74/1011843974.db2.gz BKBKRNVWZHUYMP-UHFFFAOYSA-N 1 0 400.475 3.919 20 5 HHBDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000536696145 1011863522 /nfs/dbraw/zinc/86/35/22/1011863522.db2.gz KOVRKKOXMWFQKM-MRXNPFEDSA-N 1 0 401.429 3.916 20 5 HHBDRO CC(C)N1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1=O ZINC000523390961 1011869535 /nfs/dbraw/zinc/86/95/35/1011869535.db2.gz NYLFSCFKZMZZMD-GFCCVEGCSA-N 1 0 422.279 3.716 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)CSc2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000541261545 1011948497 /nfs/dbraw/zinc/94/84/97/1011948497.db2.gz HPAOFADMRONPQG-IFXJQAMLSA-N 1 0 405.545 3.948 20 5 HHBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000523486716 1012003876 /nfs/dbraw/zinc/00/38/76/1012003876.db2.gz GNUCFCGSDQAKSF-ZDUSSCGKSA-N 1 0 412.328 3.988 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+](C)C2CCC(NC(C)=O)CC2)cc1OC ZINC000541316150 1012024286 /nfs/dbraw/zinc/02/42/86/1012024286.db2.gz WAARZNLICKHCFL-MNNVXMFVSA-N 1 0 421.538 3.907 20 5 HHBDRO C[NH+](C)C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000552025881 1012053300 /nfs/dbraw/zinc/05/33/00/1012053300.db2.gz PAFOCSOCZAJSFI-MRXNPFEDSA-N 1 0 404.898 3.512 20 5 HHBDRO Cn1ccnc1[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000552046370 1012065149 /nfs/dbraw/zinc/06/51/49/1012065149.db2.gz FYNLJURWZMKTCS-REWPJTCUSA-N 1 0 419.529 3.572 20 5 HHBDRO O=C1C[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000536837567 1012067569 /nfs/dbraw/zinc/06/75/69/1012067569.db2.gz GGPURTQSFRTWIH-SJBKTWHCSA-N 1 0 407.514 3.944 20 5 HHBDRO Cn1ccnc1[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccc([N+](=O)[O-])cc1 ZINC000552067143 1012083882 /nfs/dbraw/zinc/08/38/82/1012083882.db2.gz ACTSLAAPTIYNQY-OAQYLSRUSA-N 1 0 407.449 3.881 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](C3CC3)[C@@]3(CO)CCCO3)o2)c(Cl)c1 ZINC000552146936 1012167775 /nfs/dbraw/zinc/16/77/75/1012167775.db2.gz DZZGQJDYEBKRMK-PMACEKPBSA-N 1 0 406.866 3.918 20 5 HHBDRO COc1ccc([C@H](C[NH+]2CCCC2)Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])cc1 ZINC000541575776 1012365819 /nfs/dbraw/zinc/36/58/19/1012365819.db2.gz AQEZJPYLTDXNCM-NRFANRHFSA-N 1 0 424.501 3.745 20 5 HHBDRO Cc1c(Br)c(NCC2([NH+]3CCCCC3)CCOCC2)ncc1[N+](=O)[O-] ZINC000541577000 1012366712 /nfs/dbraw/zinc/36/67/12/1012366712.db2.gz ZIQIVBCMBHEZHR-UHFFFAOYSA-N 1 0 413.316 3.508 20 5 HHBDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])ccc1OC(C)C ZINC000537052823 1012380262 /nfs/dbraw/zinc/38/02/62/1012380262.db2.gz UCCFYWDQSTYIFF-OAHLLOKOSA-N 1 0 401.463 3.988 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000537066889 1012405700 /nfs/dbraw/zinc/40/57/00/1012405700.db2.gz RTFBQPNHNPHXKE-HNNXBMFYSA-N 1 0 401.463 3.990 20 5 HHBDRO C[C@H](NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1[N+](=O)[O-] ZINC000537097260 1012460248 /nfs/dbraw/zinc/46/02/48/1012460248.db2.gz HMDYTJUPEOTXQU-KURKYZTESA-N 1 0 418.538 3.577 20 5 HHBDRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCCO2 ZINC000541740390 1012595719 /nfs/dbraw/zinc/59/57/19/1012595719.db2.gz LYUQKFLTRAOHMF-GOSISDBHSA-N 1 0 424.906 3.834 20 5 HHBDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000541742926 1012599843 /nfs/dbraw/zinc/59/98/43/1012599843.db2.gz VPVOGHNAQIOHNU-SFTDATJTSA-N 1 0 402.516 3.820 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000541763843 1012627426 /nfs/dbraw/zinc/62/74/26/1012627426.db2.gz XTYNSSJUAFBFIJ-KRWDZBQOSA-N 1 0 403.866 3.557 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000537246345 1012690117 /nfs/dbraw/zinc/69/01/17/1012690117.db2.gz WSRGZCHRHYYOHB-UHFFFAOYSA-N 1 0 401.488 3.795 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000552684013 1012694054 /nfs/dbraw/zinc/69/40/54/1012694054.db2.gz AFECVJPAVWIKGK-DEOSSOPVSA-N 1 0 423.513 3.797 20 5 HHBDRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541835208 1012723169 /nfs/dbraw/zinc/72/31/69/1012723169.db2.gz ZRCOASPNNLGLTJ-UHFFFAOYSA-N 1 0 402.426 3.530 20 5 HHBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000552739516 1012746040 /nfs/dbraw/zinc/74/60/40/1012746040.db2.gz PZDGFGRITRGHGH-UHFFFAOYSA-N 1 0 416.297 3.606 20 5 HHBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000552816436 1012824053 /nfs/dbraw/zinc/82/40/53/1012824053.db2.gz QCHJKRAONNZSBJ-IFXJQAMLSA-N 1 0 403.504 3.503 20 5 HHBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000524122157 1012899358 /nfs/dbraw/zinc/89/93/58/1012899358.db2.gz FWUJHBHLCGUBNL-IEBWSBKVSA-N 1 0 417.531 3.577 20 5 HHBDRO O=C(NCCCCC[NH+]1CCCCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000524153182 1012942938 /nfs/dbraw/zinc/94/29/38/1012942938.db2.gz OJKFQRYMQVHPQX-UHFFFAOYSA-N 1 0 400.426 3.974 20 5 HHBDRO CCC[N@H+](C)[C@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553016730 1012990342 /nfs/dbraw/zinc/99/03/42/1012990342.db2.gz FHEYRXWNGVLIGP-OAHLLOKOSA-N 1 0 407.902 3.908 20 5 HHBDRO CC(C)N1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CC1 ZINC000760266902 1071808596 /nfs/dbraw/zinc/80/85/96/1071808596.db2.gz FMGZMHYDHKNCEQ-UHFFFAOYSA-N 1 0 400.445 3.608 20 5 HHBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)c1 ZINC000904623241 1071817379 /nfs/dbraw/zinc/81/73/79/1071817379.db2.gz AGZSAPDTPRFVDT-UHFFFAOYSA-N 1 0 418.457 3.927 20 5 HHBDRO CCc1ccc([C@@H](CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[NH+](CC)CC)cc1 ZINC001212021829 1071902554 /nfs/dbraw/zinc/90/25/54/1071902554.db2.gz VQYOIMPKHVLOTQ-HXUWFJFHSA-N 1 0 419.547 3.827 20 5 HHBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000737692031 1072213954 /nfs/dbraw/zinc/21/39/54/1072213954.db2.gz QAEZFIHACIUKEC-LJQANCHMSA-N 1 0 414.550 3.922 20 5 HHBDRO CSc1cccc(-c2nc(-c3ccccc3N3CC[NH+](C)CC3)no2)c1[N+](=O)[O-] ZINC000571684551 1072696806 /nfs/dbraw/zinc/69/68/06/1072696806.db2.gz MDIURDPONKKDCG-UHFFFAOYSA-N 1 0 411.487 3.786 20 5 HHBDRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000554889747 1072928188 /nfs/dbraw/zinc/92/81/88/1072928188.db2.gz HZTOYRJKPVAMEX-INIZCTEOSA-N 1 0 411.568 3.600 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC4(CCOCC4)[C@@H]3O)s2)cc1 ZINC000554936410 1072969111 /nfs/dbraw/zinc/96/91/11/1072969111.db2.gz QIRWCPPYFIWRPO-OXJNMPFZSA-N 1 0 402.516 3.981 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2c3ccccc3CC23CCOCC3)cccc1[N+](=O)[O-] ZINC000572082032 1073126621 /nfs/dbraw/zinc/12/66/21/1073126621.db2.gz QXSZVHXBHLPQIN-JOCHJYFZSA-N 1 0 409.486 3.916 20 5 HHBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000588841042 1073300679 /nfs/dbraw/zinc/30/06/79/1073300679.db2.gz IIPWASWDAKHADL-UHFFFAOYSA-N 1 0 401.426 3.587 20 5 HHBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000555333936 1073347761 /nfs/dbraw/zinc/34/77/61/1073347761.db2.gz FSUADOUVXUNCSL-HOTGVXAUSA-N 1 0 414.472 3.604 20 5 HHBDRO C[N@@H+]1C[C@@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[C@@H]2C1 ZINC000590052394 1073509341 /nfs/dbraw/zinc/50/93/41/1073509341.db2.gz BASXFTPZGANSDO-YVEFUNNKSA-N 1 0 406.280 3.753 20 5 HHBDRO C[N@@H+]1C[C@H]2CCN(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590052753 1073528977 /nfs/dbraw/zinc/52/89/77/1073528977.db2.gz KKIVBDRFAPJDHQ-XMSQKQJNSA-N 1 0 403.486 3.583 20 5 HHBDRO CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000590174286 1073661374 /nfs/dbraw/zinc/66/13/74/1073661374.db2.gz HRRNMZMYUBQJGC-HXUWFJFHSA-N 1 0 423.435 3.682 20 5 HHBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000590536846 1073913894 /nfs/dbraw/zinc/91/38/94/1073913894.db2.gz BFWBJQHMYPEWAI-ZHALLVOQSA-N 1 0 402.539 3.633 20 5 HHBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000899889284 1073940640 /nfs/dbraw/zinc/94/06/40/1073940640.db2.gz ZHGMBALKFVBJJK-HXUWFJFHSA-N 1 0 422.529 3.835 20 5 HHBDRO CN1CC[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000573409544 1074401149 /nfs/dbraw/zinc/40/11/49/1074401149.db2.gz WAYWTTVSXZOYSO-IEBWSBKVSA-N 1 0 423.300 3.875 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)[C@H]1c1ccccc1 ZINC000760852632 1074451720 /nfs/dbraw/zinc/45/17/20/1074451720.db2.gz JRZXDEBWEBQVSQ-WMLDXEAASA-N 1 0 404.264 3.533 20 5 HHBDRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000573821891 1074650601 /nfs/dbraw/zinc/65/06/01/1074650601.db2.gz FIQIVWHYPUIKLL-CQSZACIVSA-N 1 0 408.296 3.520 20 5 HHBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)nc(Cl)c2[N+](=O)[O-])CC3)cs1 ZINC001164691879 719805495 /nfs/dbraw/zinc/80/54/95/719805495.db2.gz LMSYZTQARCIWJC-UHFFFAOYSA-N 1 0 422.942 3.747 20 5 HHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)CC[C@@H]21 ZINC001164835899 720537241 /nfs/dbraw/zinc/53/72/41/720537241.db2.gz IYPKDSYLWPHETR-AABGKKOBSA-N 1 0 420.517 3.717 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC001164843229 720661206 /nfs/dbraw/zinc/66/12/06/720661206.db2.gz VPULJNXSSDWGOZ-SFHVURJKSA-N 1 0 416.909 3.903 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(Cl)c1[N+](=O)[O-])CC2 ZINC001164844259 720661674 /nfs/dbraw/zinc/66/16/74/720661674.db2.gz ZQFBLCJBUWLXPH-QGZVFWFLSA-N 1 0 416.909 3.903 20 5 HHBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC001164793783 721489871 /nfs/dbraw/zinc/48/98/71/721489871.db2.gz WERKEZRPLANHNQ-UHFFFAOYSA-N 1 0 401.898 3.919 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)C[C@H]21 ZINC001165025281 721816571 /nfs/dbraw/zinc/81/65/71/721816571.db2.gz MEMAMOJSRHPNNA-KVSKMBFKSA-N 1 0 406.490 3.603 20 5 HHBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])c(C)c2C)CC1 ZINC001165021245 721841619 /nfs/dbraw/zinc/84/16/19/721841619.db2.gz JFILJEXSVWCCOE-UHFFFAOYSA-N 1 0 414.506 3.725 20 5 HHBDRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)C1 ZINC001165037266 721899590 /nfs/dbraw/zinc/89/95/90/721899590.db2.gz MAVQUECOALQEOA-CQSZACIVSA-N 1 0 411.840 3.781 20 5 HHBDRO Cc1cc(N2CC[NH+](CCOc3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000603937386 721959937 /nfs/dbraw/zinc/95/99/37/721959937.db2.gz QQJSPOHRQXUWOX-UHFFFAOYSA-N 1 0 419.485 3.561 20 5 HHBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952194 722015771 /nfs/dbraw/zinc/01/57/71/722015771.db2.gz IYBBZZAHJIWDKC-UHFFFAOYSA-N 1 0 401.898 3.839 20 5 HHBDRO COc1cc(C)nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164994567 722198253 /nfs/dbraw/zinc/19/82/53/722198253.db2.gz NYIGLRDPOXQUMX-OAQYLSRUSA-N 1 0 400.454 3.691 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000301227656 970819883 /nfs/dbraw/zinc/81/98/83/970819883.db2.gz HNTDXUIIBGAEHS-GFCCVEGCSA-N 1 0 407.820 3.816 20 5 HHBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000301354315 970883800 /nfs/dbraw/zinc/88/38/00/970883800.db2.gz JXGMOTLCFKHXEL-UHFFFAOYSA-N 1 0 414.437 3.767 20 5 HHBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)[NH+]2CCCC2)o1 ZINC000301405965 970912560 /nfs/dbraw/zinc/91/25/60/970912560.db2.gz LSCNUIVUBNSJNS-GOSISDBHSA-N 1 0 400.435 3.702 20 5 HHBDRO CN(c1ccc([N+](=O)[O-])cc1N1CCOC1=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000301461434 970941160 /nfs/dbraw/zinc/94/11/60/970941160.db2.gz YXPPFCFUZRLTPG-IBGZPJMESA-N 1 0 410.474 3.652 20 5 HHBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301525778 970967182 /nfs/dbraw/zinc/96/71/82/970967182.db2.gz HOADXAKCUILJJF-KBXCAEBGSA-N 1 0 414.462 3.769 20 5 HHBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(Br)c1 ZINC000301576667 970987363 /nfs/dbraw/zinc/98/73/63/970987363.db2.gz YXNPDSUQDJGIRM-OAHLLOKOSA-N 1 0 405.296 3.729 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNc3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)cc2)C1 ZINC000301687262 971027969 /nfs/dbraw/zinc/02/79/69/971027969.db2.gz MEIXJRDPIDEMRI-OAHLLOKOSA-N 1 0 410.474 3.770 20 5 HHBDRO O=C1COc2cc([N+](=O)[O-])c(NCc3ccccc3C[NH+]3CCCCCC3)cc2N1 ZINC000301702092 971033916 /nfs/dbraw/zinc/03/39/16/971033916.db2.gz TZYTXVGCGCVZKA-UHFFFAOYSA-N 1 0 410.474 3.914 20 5 HHBDRO CS(=O)(=O)c1cccc(NCc2cccc(C[NH+]3CCCCCC3)c2)c1[N+](=O)[O-] ZINC000301901568 971106995 /nfs/dbraw/zinc/10/69/95/971106995.db2.gz VPTKLEPWYXDQOR-UHFFFAOYSA-N 1 0 417.531 3.986 20 5 HHBDRO CC1CC[NH+](Cc2ccc(CNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)CC1 ZINC000301932109 971121857 /nfs/dbraw/zinc/12/18/57/971121857.db2.gz PCUWGGAKWOOEEE-UHFFFAOYSA-N 1 0 423.560 3.904 20 5 HHBDRO O=[N+]([O-])c1cnc2ccc(NCC3CC[NH+](Cc4ccccc4Cl)CC3)nn21 ZINC000301966304 971135352 /nfs/dbraw/zinc/13/53/52/971135352.db2.gz KPBYNTHKJTXDAP-UHFFFAOYSA-N 1 0 400.870 3.615 20 5 HHBDRO O=c1[nH]cnc2cc(N[C@@H]3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c([N+](=O)[O-])cc21 ZINC000302200184 971206096 /nfs/dbraw/zinc/20/60/96/971206096.db2.gz YZRXEEUNCNHZCN-BHIYHBOVSA-N 1 0 419.485 3.956 20 5 HHBDRO Cc1cc(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302388072 971231064 /nfs/dbraw/zinc/23/10/64/971231064.db2.gz BDIYEDRXCOVHSJ-QHCPKHFHSA-N 1 0 406.486 3.525 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000524255775 1013067009 /nfs/dbraw/zinc/06/70/09/1013067009.db2.gz QPGIHKWHUGWHNP-UHFFFAOYSA-N 1 0 422.279 3.687 20 5 HHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](c4nc(-c5ccccc5)n[nH]4)C3)nc2c1 ZINC000537562560 1013097162 /nfs/dbraw/zinc/09/71/62/1013097162.db2.gz RIYWBVGYOKBPOU-OAHLLOKOSA-N 1 0 404.430 3.901 20 5 HHBDRO O=C(C[N@@H+](CCCO)[C@@H]1CCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000303575159 971866817 /nfs/dbraw/zinc/86/68/17/971866817.db2.gz PRBPFYSQWXCURW-LJQANCHMSA-N 1 0 403.866 3.559 20 5 HHBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C[NH+]2CCSCC2)cc1 ZINC000537592819 1013133992 /nfs/dbraw/zinc/13/39/92/1013133992.db2.gz SIPITMWQSPILQG-UHFFFAOYSA-N 1 0 419.934 3.770 20 5 HHBDRO CCc1nsc(N2CCC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)n1 ZINC000537622255 1013169296 /nfs/dbraw/zinc/16/92/96/1013169296.db2.gz SBMNGOXZOMSODH-UHFFFAOYSA-N 1 0 413.503 3.981 20 5 HHBDRO CCOc1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000537623854 1013172827 /nfs/dbraw/zinc/17/28/27/1013172827.db2.gz QMMPFXJSUUSAOT-OALUTQOASA-N 1 0 414.506 3.809 20 5 HHBDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000005200835 960671106 /nfs/dbraw/zinc/67/11/06/960671106.db2.gz WENPWGQLZBUZHY-UHFFFAOYSA-N 1 0 409.273 3.906 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000537642914 1013202832 /nfs/dbraw/zinc/20/28/32/1013202832.db2.gz FJIXEBLFPOSMIN-UHFFFAOYSA-N 1 0 411.502 3.925 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000537681532 1013241734 /nfs/dbraw/zinc/24/17/34/1013241734.db2.gz KOPWSUNBYNQRSR-QZTJIDSGSA-N 1 0 417.550 3.872 20 5 HHBDRO O=c1[nH]c(NCc2ccc(C[NH+]3CCCCCC3)cc2)nc2ccc([N+](=O)[O-])cc21 ZINC000553339323 1013284949 /nfs/dbraw/zinc/28/49/49/1013284949.db2.gz FSRZTGBAOMELAZ-UHFFFAOYSA-N 1 0 407.474 4.232 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)n1 ZINC000553445176 1013359753 /nfs/dbraw/zinc/35/97/53/1013359753.db2.gz IAKUOBJBPYPCKL-UHFFFAOYSA-N 1 0 424.501 3.802 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000015690885 962839690 /nfs/dbraw/zinc/83/96/90/962839690.db2.gz CTOQTUHYYJYMIH-LJQANCHMSA-N 1 0 415.515 3.649 20 5 HHBDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000016002802 962913019 /nfs/dbraw/zinc/91/30/19/962913019.db2.gz DJTYHPBYKYCCDD-RUDMXATFSA-N 1 0 400.866 3.652 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000018011547 963250498 /nfs/dbraw/zinc/25/04/98/963250498.db2.gz HAKPRQWPLBFGOP-NRFANRHFSA-N 1 0 424.501 3.745 20 5 HHBDRO COc1cccc([C@@H]2[C@@H](Nc3ncnc4sc([N+](=O)[O-])cc43)CC[N@@H+]2C2CC2)c1 ZINC000553518851 1013417882 /nfs/dbraw/zinc/41/78/82/1013417882.db2.gz NQFZBYRXWUWDME-FUHWJXTLSA-N 1 0 411.487 3.998 20 5 HHBDRO CCc1ccc([C@@H]([NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542475178 1013422011 /nfs/dbraw/zinc/42/20/11/1013422011.db2.gz SOLAOLQGEQJDCE-JTSKRJEESA-N 1 0 409.490 3.832 20 5 HHBDRO O=[N+]([O-])c1cccc2ncnc(NC3CC[NH+](CCOc4ccc(F)cc4)CC3)c21 ZINC000542507163 1013452287 /nfs/dbraw/zinc/45/22/87/1013452287.db2.gz JTFXWEALXDHAAK-UHFFFAOYSA-N 1 0 411.437 3.632 20 5 HHBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000049077442 964116193 /nfs/dbraw/zinc/11/61/93/964116193.db2.gz CHGUYQVOGHMXJT-UHFFFAOYSA-N 1 0 417.428 3.730 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccs1 ZINC000050551419 964352034 /nfs/dbraw/zinc/35/20/34/964352034.db2.gz SLYFBWXJGWGGJH-HNNXBMFYSA-N 1 0 402.501 3.813 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000026226440 964492458 /nfs/dbraw/zinc/49/24/58/964492458.db2.gz DXFOAPKQCFSWJB-UHFFFAOYSA-N 1 0 407.854 3.596 20 5 HHBDRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 ZINC000537918566 1013503766 /nfs/dbraw/zinc/50/37/66/1013503766.db2.gz YTYXHXJGGBPGQL-OAHLLOKOSA-N 1 0 413.474 3.567 20 5 HHBDRO COc1ccccc1C[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C(C)C ZINC000542564000 1013505831 /nfs/dbraw/zinc/50/58/31/1013505831.db2.gz SRUKETRWBJKKPD-GOSISDBHSA-N 1 0 413.474 3.758 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000026713305 964655077 /nfs/dbraw/zinc/65/50/77/964655077.db2.gz MPWFHFILFLVCSK-NVXWUHKLSA-N 1 0 413.499 3.824 20 5 HHBDRO COc1ccc(Cl)cc1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000027739515 964954973 /nfs/dbraw/zinc/95/49/73/964954973.db2.gz FEGQRFOYMAAKBC-UHFFFAOYSA-N 1 0 407.854 3.726 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713512 964960574 /nfs/dbraw/zinc/96/05/74/964960574.db2.gz NMIJYSONCOTCTK-KRWDZBQOSA-N 1 0 418.538 3.518 20 5 HHBDRO O=C(CC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000052873087 965009248 /nfs/dbraw/zinc/00/92/48/965009248.db2.gz GVTIQXWVHVJQDR-UHFFFAOYSA-N 1 0 417.412 3.797 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000053076451 965056313 /nfs/dbraw/zinc/05/63/13/965056313.db2.gz SFMOSAFOLVNJCG-KRWDZBQOSA-N 1 0 401.438 3.778 20 5 HHBDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000028335430 965079085 /nfs/dbraw/zinc/07/90/85/965079085.db2.gz KYVPWUCXSBWLKV-NWDGAFQWSA-N 1 0 404.854 3.884 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000542609812 1013545159 /nfs/dbraw/zinc/54/51/59/1013545159.db2.gz BITUOLUBERTDCV-APWZRJJASA-N 1 0 401.482 3.907 20 5 HHBDRO C[NH+]1CCC(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000054147561 965397522 /nfs/dbraw/zinc/39/75/22/965397522.db2.gz KSKIRKYCAIZHNO-UHFFFAOYSA-N 1 0 402.882 3.684 20 5 HHBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000057769800 965542136 /nfs/dbraw/zinc/54/21/36/965542136.db2.gz YDUUZWDESCUADF-SFHVURJKSA-N 1 0 402.539 3.825 20 5 HHBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000057769802 965542529 /nfs/dbraw/zinc/54/25/29/965542529.db2.gz YDUUZWDESCUADF-GOSISDBHSA-N 1 0 402.539 3.825 20 5 HHBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1 ZINC000054667718 965601192 /nfs/dbraw/zinc/60/11/92/965601192.db2.gz PEXYWCVRZPTKEG-LJQANCHMSA-N 1 0 405.838 3.902 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000059408639 966022577 /nfs/dbraw/zinc/02/25/77/966022577.db2.gz JTSYKORWMMVJGU-QZTJIDSGSA-N 1 0 411.502 3.768 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000031960214 966162658 /nfs/dbraw/zinc/16/26/58/966162658.db2.gz KLQRVJBADZAYDP-OAHLLOKOSA-N 1 0 409.577 3.553 20 5 HHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 ZINC000032047417 966183226 /nfs/dbraw/zinc/18/32/26/966183226.db2.gz HETZBWQHCDOTHP-UHFFFAOYSA-N 1 0 407.474 3.552 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000032217672 966202444 /nfs/dbraw/zinc/20/24/44/966202444.db2.gz KYUJRXHPIZVQJM-LJQANCHMSA-N 1 0 413.474 3.569 20 5 HHBDRO CCOc1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c([N+](=O)[O-])cc1OC ZINC000032463709 966261834 /nfs/dbraw/zinc/26/18/34/966261834.db2.gz MQZRXICJSSMQHS-UHFFFAOYSA-N 1 0 413.474 3.528 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1OC ZINC000032463698 966261914 /nfs/dbraw/zinc/26/19/14/966261914.db2.gz AQYUKYSRDKAQGU-UHFFFAOYSA-N 1 0 413.474 3.528 20 5 HHBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061569125 966504270 /nfs/dbraw/zinc/50/42/70/966504270.db2.gz RJIJTXHEVYFFIM-UHFFFAOYSA-N 1 0 405.545 3.777 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000538120004 1013681992 /nfs/dbraw/zinc/68/19/92/1013681992.db2.gz KGAVAHJDOBIZJO-NEPJUHHUSA-N 1 0 409.389 3.883 20 5 HHBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000043506121 966988008 /nfs/dbraw/zinc/98/80/08/966988008.db2.gz VCIGADLJHBKSPW-UHFFFAOYSA-N 1 0 404.470 3.957 20 5 HHBDRO Cn1ccnc1C(=O)c1ccc(NCc2ccc(C[NH+]3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000064113169 967051479 /nfs/dbraw/zinc/05/14/79/967051479.db2.gz NUNKDJVCHOLENW-UHFFFAOYSA-N 1 0 419.485 3.767 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000043993287 967089402 /nfs/dbraw/zinc/08/94/02/967089402.db2.gz KGFCGTVXLIMCTD-UHFFFAOYSA-N 1 0 400.479 3.979 20 5 HHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](CCc2cccs2)CC1 ZINC000064352103 967152205 /nfs/dbraw/zinc/15/22/05/967152205.db2.gz ZPAVIPVMGPAKKX-OAHLLOKOSA-N 1 0 413.503 3.628 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000064722020 967275658 /nfs/dbraw/zinc/27/56/58/967275658.db2.gz XSQCGQIIRLXCPM-OAHLLOKOSA-N 1 0 405.882 3.654 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000065087016 967371132 /nfs/dbraw/zinc/37/11/32/967371132.db2.gz PZEVDSHXTZVHOI-SFHVURJKSA-N 1 0 410.499 3.621 20 5 HHBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000065309108 967433143 /nfs/dbraw/zinc/43/31/43/967433143.db2.gz ZZTYPOSIZJPGHE-AWEZNQCLSA-N 1 0 402.520 3.959 20 5 HHBDRO O=C(CN1CCC(C[NH+]2CCCCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000045806546 967557522 /nfs/dbraw/zinc/55/75/22/967557522.db2.gz LVNFOVHGCKWRDN-UHFFFAOYSA-N 1 0 408.930 3.775 20 5 HHBDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000542885129 1013732643 /nfs/dbraw/zinc/73/26/43/1013732643.db2.gz PFQPMNZBVXZWSH-YCRPNKLZSA-N 1 0 405.458 3.545 20 5 HHBDRO COc1ccc([C@H](Cc2ccccc2C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000538175392 1013733703 /nfs/dbraw/zinc/73/37/03/1013733703.db2.gz QSBGHCCXBWLYCQ-FQEVSTJZSA-N 1 0 410.474 3.691 20 5 HHBDRO C[C@H]([NH2+]CC(=O)NCCc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000538174729 1013734013 /nfs/dbraw/zinc/73/40/13/1013734013.db2.gz FNUJFHGNTAUJSP-ZDUSSCGKSA-N 1 0 411.380 3.503 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1OC ZINC000542915729 1013754891 /nfs/dbraw/zinc/75/48/91/1013754891.db2.gz NDAWTUZVAODFEQ-IRXDYDNUSA-N 1 0 416.522 3.826 20 5 HHBDRO CC(C)Oc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[NH+](C)C)cc1 ZINC000554015275 1013755124 /nfs/dbraw/zinc/75/51/24/1013755124.db2.gz TWBOVUSLKRRWMI-NRFANRHFSA-N 1 0 422.485 3.963 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000538212443 1013766285 /nfs/dbraw/zinc/76/62/85/1013766285.db2.gz KQKPKIUVKXXUJW-KRWDZBQOSA-N 1 0 416.497 3.605 20 5 HHBDRO COc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542932675 1013767639 /nfs/dbraw/zinc/76/76/39/1013767639.db2.gz VVIMABKYCFZLDP-IBGZPJMESA-N 1 0 423.391 3.997 20 5 HHBDRO CC1CC[NH+](CCCCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000047198892 968087038 /nfs/dbraw/zinc/08/70/38/968087038.db2.gz ZLVPJHLUDXNFNK-UHFFFAOYSA-N 1 0 405.542 3.783 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-c2ccncc2)cc1 ZINC000538235075 1013784161 /nfs/dbraw/zinc/78/41/61/1013784161.db2.gz VZPYZVAOPZOIJD-CQSZACIVSA-N 1 0 420.425 3.675 20 5 HHBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000538259716 1013801512 /nfs/dbraw/zinc/80/15/12/1013801512.db2.gz NBYRLQUYFJPXKI-KRWDZBQOSA-N 1 0 409.552 3.668 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000048229819 968494360 /nfs/dbraw/zinc/49/43/60/968494360.db2.gz YHFQYUXMNXWJGT-KRWDZBQOSA-N 1 0 417.428 3.776 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[NH+]2CCCC2)cc1 ZINC000065716295 968610554 /nfs/dbraw/zinc/61/05/54/968610554.db2.gz SVNLHZYFUZSTCW-JOCHJYFZSA-N 1 0 422.485 3.511 20 5 HHBDRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000538276139 1013815755 /nfs/dbraw/zinc/81/57/55/1013815755.db2.gz HKDZRXMQFYAVEX-MRXNPFEDSA-N 1 0 412.490 3.675 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000538278733 1013817320 /nfs/dbraw/zinc/81/73/20/1013817320.db2.gz BLDXIJPBXGYZTQ-CZUORRHYSA-N 1 0 409.280 3.756 20 5 HHBDRO Cc1nc(-c2ccc(C)cc2NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000538279671 1013817951 /nfs/dbraw/zinc/81/79/51/1013817951.db2.gz PETWHAXNCBNQGD-CQSZACIVSA-N 1 0 408.462 3.594 20 5 HHBDRO COc1cc(OCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000066024540 968772293 /nfs/dbraw/zinc/77/22/93/968772293.db2.gz QSYLVRLGNWMOCY-MRXNPFEDSA-N 1 0 413.474 3.995 20 5 HHBDRO COc1cccc([C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000072109464 968992385 /nfs/dbraw/zinc/99/23/85/968992385.db2.gz IFMFGGVPOVHUEE-IBGZPJMESA-N 1 0 403.866 3.824 20 5 HHBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@H](C)O1 ZINC000107926835 969345419 /nfs/dbraw/zinc/34/54/19/969345419.db2.gz CWIMWVBRLGACKS-CALCHBBNSA-N 1 0 413.474 3.616 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1OC ZINC000108686951 969410393 /nfs/dbraw/zinc/41/03/93/969410393.db2.gz MRHBNKHKGVWRML-UHFFFAOYSA-N 1 0 419.522 3.730 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000108817566 969422264 /nfs/dbraw/zinc/42/22/64/969422264.db2.gz LWKKMZNGLJLJPF-IAGOWNOFSA-N 1 0 402.539 3.681 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000109305007 969494856 /nfs/dbraw/zinc/49/48/56/969494856.db2.gz RCIJAVVLKXAJQE-SFHVURJKSA-N 1 0 408.502 3.811 20 5 HHBDRO Cc1nn(Cc2ccc(C(=O)Nc3ccc(CC[NH+](C)C)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000110868260 969731003 /nfs/dbraw/zinc/73/10/03/969731003.db2.gz YTZZTDMSBBEQNC-UHFFFAOYSA-N 1 0 421.501 3.813 20 5 HHBDRO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000138690560 970007893 /nfs/dbraw/zinc/00/78/93/970007893.db2.gz JEDUXZVGJROYQK-UHFFFAOYSA-N 1 0 414.531 3.627 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C1 ZINC000236866066 970182076 /nfs/dbraw/zinc/18/20/76/970182076.db2.gz ICTPSXCFDMMLRL-OXJNMPFZSA-N 1 0 418.563 3.945 20 5 HHBDRO CCOc1cc(C[NH2+][C@H]2CC=CCC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000236999309 970204158 /nfs/dbraw/zinc/20/41/58/970204158.db2.gz KDFMXJFYZYMXPI-SFHVURJKSA-N 1 0 400.479 3.776 20 5 HHBDRO COc1cc(C[NH2+]CCOc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000237185322 970237699 /nfs/dbraw/zinc/23/76/99/970237699.db2.gz PSHHUHAQOUZRJD-UHFFFAOYSA-N 1 0 400.353 3.799 20 5 HHBDRO COc1cccc(C(=O)NCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000237337153 970265774 /nfs/dbraw/zinc/26/57/74/970265774.db2.gz MBYXHCFYWJBNSO-UHFFFAOYSA-N 1 0 411.483 3.852 20 5 HHBDRO COc1cc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)c([N+](=O)[O-])cc1O ZINC000237394404 970276587 /nfs/dbraw/zinc/27/65/87/970276587.db2.gz WKIZHNAQYRTMIY-UHFFFAOYSA-N 1 0 400.460 3.550 20 5 HHBDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237409093 970279846 /nfs/dbraw/zinc/27/98/46/970279846.db2.gz USSOMCRYLPTOKO-HWPZZCPQSA-N 1 0 415.309 3.819 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]Cc3cccnc3-n3cccn3)o2)c([N+](=O)[O-])c1 ZINC000237418440 970281974 /nfs/dbraw/zinc/28/19/74/970281974.db2.gz FNCAXVQFNIAJJS-UHFFFAOYSA-N 1 0 405.414 3.734 20 5 HHBDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237420830 970282646 /nfs/dbraw/zinc/28/26/46/970282646.db2.gz PLKPKXNGSBKLJF-FOIQADDNSA-N 1 0 412.515 3.650 20 5 HHBDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237420480 970282659 /nfs/dbraw/zinc/28/26/59/970282659.db2.gz USSOMCRYLPTOKO-QLJPJBMISA-N 1 0 415.309 3.819 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]CCC(=O)NC3CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000237425564 970283344 /nfs/dbraw/zinc/28/33/44/970283344.db2.gz ZTFCDWHPIAMDKZ-UHFFFAOYSA-N 1 0 401.463 3.792 20 5 HHBDRO O=C1C[C@@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CN1C1CC1 ZINC000237733382 970349506 /nfs/dbraw/zinc/34/95/06/970349506.db2.gz YQOIJJUIXOANCJ-OAHLLOKOSA-N 1 0 401.850 3.893 20 5 HHBDRO NC(=O)c1cccc(CC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 ZINC000237755226 970354893 /nfs/dbraw/zinc/35/48/93/970354893.db2.gz RMNKHNRRWCIBRV-UHFFFAOYSA-N 1 0 409.417 3.957 20 5 HHBDRO Cc1ccc(C[NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cc1[N+](=O)[O-] ZINC000237800801 970370121 /nfs/dbraw/zinc/37/01/21/970370121.db2.gz PXSBDFZXZRJVDF-MRXNPFEDSA-N 1 0 409.364 3.697 20 5 HHBDRO COc1cc(OCC(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000149062128 970381189 /nfs/dbraw/zinc/38/11/89/970381189.db2.gz RCWKVSGQMUQUNF-INIZCTEOSA-N 1 0 413.474 3.853 20 5 HHBDRO O=C(C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)NCC(F)(F)F ZINC000237874571 970387211 /nfs/dbraw/zinc/38/72/11/970387211.db2.gz DKHPDONEEKMOIU-UHFFFAOYSA-N 1 0 417.771 3.809 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000237903107 970391666 /nfs/dbraw/zinc/39/16/66/970391666.db2.gz QTFPPCSSHSCHCM-LJQANCHMSA-N 1 0 409.408 3.777 20 5 HHBDRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000237914560 970392548 /nfs/dbraw/zinc/39/25/48/970392548.db2.gz XMHDATGUVGIITI-UHFFFAOYSA-N 1 0 406.442 3.644 20 5 HHBDRO Cn1cc(C[NH2+]CCNc2ncc(Cl)cc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237917394 970394474 /nfs/dbraw/zinc/39/44/74/970394474.db2.gz MJQFFHUUIHMLJM-UHFFFAOYSA-N 1 0 421.288 3.899 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCC1 ZINC000248183399 970519098 /nfs/dbraw/zinc/51/90/98/970519098.db2.gz FTYACOWCZCFTHF-SFHVURJKSA-N 1 0 403.866 3.824 20 5 HHBDRO CC(C)NC(=O)c1ccc(NCC2([NH+]3CCSCC3)CCCC2)c([N+](=O)[O-])c1 ZINC000301058310 970726740 /nfs/dbraw/zinc/72/67/40/970726740.db2.gz ASLFMARTVDOANQ-UHFFFAOYSA-N 1 0 406.552 3.507 20 5 HHBDRO COc1cc(-c2noc([C@H](C)c3cccc([N+](=O)[O-])c3)n2)ccc1OCC[NH+](C)C ZINC000554794855 1014049807 /nfs/dbraw/zinc/04/98/07/1014049807.db2.gz OESFIXBOMGGEDH-CQSZACIVSA-N 1 0 412.446 3.746 20 5 HHBDRO COc1ccc(OCC[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])c1 ZINC000554842492 1014071545 /nfs/dbraw/zinc/07/15/45/1014071545.db2.gz XFSBSGTUHYTFOF-QFIPXVFZSA-N 1 0 413.518 3.873 20 5 HHBDRO Cn1cc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425990942 974103429 /nfs/dbraw/zinc/10/34/29/974103429.db2.gz QJSAPOAHIDJGTN-GOSISDBHSA-N 1 0 411.437 3.573 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccc(F)c1 ZINC000426256876 974350674 /nfs/dbraw/zinc/35/06/74/974350674.db2.gz PTMRXHNGLDHLCQ-FQEVSTJZSA-N 1 0 400.454 3.711 20 5 HHBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426265662 974358025 /nfs/dbraw/zinc/35/80/25/974358025.db2.gz VUKZYQRCUSQITD-OAHLLOKOSA-N 1 0 402.417 3.629 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000427900997 975339365 /nfs/dbraw/zinc/33/93/65/975339365.db2.gz AIORMHPWNPNNQL-NHCUHLMSSA-N 1 0 423.513 3.653 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)CC2)c1 ZINC000428717591 976007281 /nfs/dbraw/zinc/00/72/81/976007281.db2.gz KSFPQUBAFONQKH-UHFFFAOYSA-N 1 0 422.529 3.607 20 5 HHBDRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429367263 976635895 /nfs/dbraw/zinc/63/58/95/976635895.db2.gz NCKUDILMBFACMG-QGZVFWFLSA-N 1 0 418.291 3.869 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000429458915 976732859 /nfs/dbraw/zinc/73/28/59/976732859.db2.gz XKTKADKYKAOKJN-DHIUTWEWSA-N 1 0 409.530 3.797 20 5 HHBDRO CC(C)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000429973041 977239470 /nfs/dbraw/zinc/23/94/70/977239470.db2.gz USHXWMRGWGOLEI-KRWDZBQOSA-N 1 0 412.328 3.844 20 5 HHBDRO COc1cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430155586 977353554 /nfs/dbraw/zinc/35/35/54/977353554.db2.gz ZQKJWCSSBXTSFK-QHCPKHFHSA-N 1 0 411.502 3.710 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430197658 977385978 /nfs/dbraw/zinc/38/59/78/977385978.db2.gz VWHLMUVXGSRXTI-MRXNPFEDSA-N 1 0 416.497 3.735 20 5 HHBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000430211083 977394360 /nfs/dbraw/zinc/39/43/60/977394360.db2.gz WVAJXTABCGNMBQ-UHFFFAOYSA-N 1 0 413.522 3.891 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000430654929 977670296 /nfs/dbraw/zinc/67/02/96/977670296.db2.gz TURAMAZSZKZPTH-JXFKEZNVSA-N 1 0 408.502 3.952 20 5 HHBDRO Cc1cc(OCC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccc1[N+](=O)[O-] ZINC000430676476 977688022 /nfs/dbraw/zinc/68/80/22/977688022.db2.gz DPPUIKQFFWNHHH-XMMPIXPASA-N 1 0 423.513 3.797 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2C[NH+](CC)CC)cc1OC ZINC000430823931 977779367 /nfs/dbraw/zinc/77/93/67/977779367.db2.gz VDIDMOSWIRGEFD-DOTOQJQBSA-N 1 0 407.511 3.633 20 5 HHBDRO COc1ccc(OCC[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430826619 977781542 /nfs/dbraw/zinc/78/15/42/977781542.db2.gz IHEWXUKBUDGDEF-AZUAARDMSA-N 1 0 413.518 3.967 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000431029524 977964758 /nfs/dbraw/zinc/96/47/58/977964758.db2.gz DRFMZCDIUQUCTN-MRXNPFEDSA-N 1 0 422.279 3.826 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000431055439 977983727 /nfs/dbraw/zinc/98/37/27/977983727.db2.gz IDCBEKALTFEJCO-DOTOQJQBSA-N 1 0 420.469 3.632 20 5 HHBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431509105 978338318 /nfs/dbraw/zinc/33/83/18/978338318.db2.gz BMCLVOIDBOFBIK-UHFFFAOYSA-N 1 0 412.309 3.623 20 5 HHBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000431568963 978363093 /nfs/dbraw/zinc/36/30/93/978363093.db2.gz BXJBPBSFZYTKQO-UHFFFAOYSA-N 1 0 412.328 3.845 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000431790095 978515124 /nfs/dbraw/zinc/51/51/24/978515124.db2.gz VSJWCJAJIVPMGQ-UHFFFAOYSA-N 1 0 422.279 3.687 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccco1 ZINC000431814757 978533328 /nfs/dbraw/zinc/53/33/28/978533328.db2.gz UCKDLRQFUJRWCY-OAHLLOKOSA-N 1 0 410.268 3.763 20 5 HHBDRO C[C@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCCO1 ZINC000432544818 978877571 /nfs/dbraw/zinc/87/75/71/978877571.db2.gz YULGSLGVXYDNHX-KRWDZBQOSA-N 1 0 413.474 3.618 20 5 HHBDRO Cc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(OCC[NH+](C)C)c1 ZINC000432660756 978927737 /nfs/dbraw/zinc/92/77/37/978927737.db2.gz VCCOTYDNPLYVAO-UHFFFAOYSA-N 1 0 422.279 3.858 20 5 HHBDRO CCn1cccc(C[NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)c1=O ZINC000433191000 979131290 /nfs/dbraw/zinc/13/12/90/979131290.db2.gz SXKKDSONBNXIOD-UHFFFAOYSA-N 1 0 423.469 3.654 20 5 HHBDRO CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434177774 979942599 /nfs/dbraw/zinc/94/25/99/979942599.db2.gz RLBBNEUKKXROMD-UHFFFAOYSA-N 1 0 415.515 3.825 20 5 HHBDRO CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434185956 979951647 /nfs/dbraw/zinc/95/16/47/979951647.db2.gz CSXGWQMOMCKPBQ-UHFFFAOYSA-N 1 0 403.866 3.999 20 5 HHBDRO CC(C)[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000434717001 980351737 /nfs/dbraw/zinc/35/17/37/980351737.db2.gz IDNZNQCMNVCVFD-UHFFFAOYSA-N 1 0 418.881 3.586 20 5 HHBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000435646399 980973035 /nfs/dbraw/zinc/97/30/35/980973035.db2.gz OCLDGJUFCVFBOE-UHFFFAOYSA-N 1 0 411.462 3.547 20 5 HHBDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000435657280 980976497 /nfs/dbraw/zinc/97/64/97/980976497.db2.gz WGFAWCQWLFGFAK-UHFFFAOYSA-N 1 0 418.497 3.905 20 5 HHBDRO COc1cccc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)c1[N+](=O)[O-] ZINC000435696727 980990884 /nfs/dbraw/zinc/99/08/84/980990884.db2.gz VMDBUWPZDVVFDT-UHFFFAOYSA-N 1 0 401.488 3.713 20 5 HHBDRO CC(C)(CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[NH+]1CCCCC1 ZINC000435820437 981044834 /nfs/dbraw/zinc/04/48/34/981044834.db2.gz XBLWOSBCDXPAMQ-UHFFFAOYSA-N 1 0 413.468 3.954 20 5 HHBDRO CC(C)[NH+](CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C(C)C ZINC000435824178 981047045 /nfs/dbraw/zinc/04/70/45/981047045.db2.gz CHAGHHCTZWFMCC-UHFFFAOYSA-N 1 0 401.457 3.808 20 5 HHBDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2cccc([N+](=O)[O-])c2)C1 ZINC000435902041 981083978 /nfs/dbraw/zinc/08/39/78/981083978.db2.gz KESOPKXTDDENQY-UHFFFAOYSA-N 1 0 406.486 3.979 20 5 HHBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436140508 981216679 /nfs/dbraw/zinc/21/66/79/981216679.db2.gz ROUPNWFGRFFEHI-UONOGXRCSA-N 1 0 413.468 3.810 20 5 HHBDRO Cn1cc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000436408010 981352704 /nfs/dbraw/zinc/35/27/04/981352704.db2.gz LRJKXBZFHWTJIY-CRAIPNDOSA-N 1 0 412.412 3.569 20 5 HHBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436417930 981357787 /nfs/dbraw/zinc/35/77/87/981357787.db2.gz GOOONCOKICLQNS-AWEZNQCLSA-N 1 0 411.452 3.706 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000437103684 981762777 /nfs/dbraw/zinc/76/27/77/981762777.db2.gz ATCUXEGJZBTXQU-FXAWDEMLSA-N 1 0 409.465 3.875 20 5 HHBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000448471788 981812335 /nfs/dbraw/zinc/81/23/35/981812335.db2.gz MFQGFRZFLBVDHJ-GOSISDBHSA-N 1 0 418.538 3.516 20 5 HHBDRO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000460109707 981884712 /nfs/dbraw/zinc/88/47/12/981884712.db2.gz UCSPXNABBDKTEG-WMQCIHAUSA-N 1 0 408.502 3.819 20 5 HHBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)[C@@H](C)C1 ZINC000460613533 982392330 /nfs/dbraw/zinc/39/23/30/982392330.db2.gz LCAXPFAIQPXWSM-LPHOPBHVSA-N 1 0 400.527 3.676 20 5 HHBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437991396 982510523 /nfs/dbraw/zinc/51/05/23/982510523.db2.gz XKMYYLUUXDFHOF-FQEVSTJZSA-N 1 0 408.502 3.933 20 5 HHBDRO C[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000438018388 982527161 /nfs/dbraw/zinc/52/71/61/982527161.db2.gz WQFDQFMSEAJWPX-KRWDZBQOSA-N 1 0 408.502 3.716 20 5 HHBDRO CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460862829 982606819 /nfs/dbraw/zinc/60/68/19/982606819.db2.gz VKWQHPNEMKDRDX-IBGZPJMESA-N 1 0 412.538 3.964 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000461050118 982749975 /nfs/dbraw/zinc/74/99/75/982749975.db2.gz XJHMWZRUQUZLAY-MRXNPFEDSA-N 1 0 407.392 3.926 20 5 HHBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CC3([NH+](C)C)CCC3)cc2[N+](=O)[O-])C1 ZINC000438561216 982902737 /nfs/dbraw/zinc/90/27/37/982902737.db2.gz JNKKNJGDURBPEN-IRXDYDNUSA-N 1 0 402.539 3.633 20 5 HHBDRO COc1ccc(OCC[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000438671013 982990077 /nfs/dbraw/zinc/99/00/77/982990077.db2.gz MIPLCMOPWGXQJH-JOCHJYFZSA-N 1 0 421.453 3.952 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000461420533 983083333 /nfs/dbraw/zinc/08/33/33/983083333.db2.gz BCWLAHWVFCTKDA-MSOLQXFVSA-N 1 0 411.527 3.911 20 5 HHBDRO O=C(CSc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461430176 983092969 /nfs/dbraw/zinc/09/29/69/983092969.db2.gz WZSMFSQAJPIYOL-OALUTQOASA-N 1 0 411.527 3.667 20 5 HHBDRO CC(C)(C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000461452190 983117422 /nfs/dbraw/zinc/11/74/22/983117422.db2.gz UPOVJIXZVVBNKE-PMACEKPBSA-N 1 0 407.514 3.853 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]C3CCN(c4cc(C)[nH]n4)CC3)o2)c([N+](=O)[O-])c1 ZINC000438920671 983154349 /nfs/dbraw/zinc/15/43/49/983154349.db2.gz RCAJGVHNDDTBTN-UHFFFAOYSA-N 1 0 411.462 3.654 20 5 HHBDRO Cc1c(CC(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000438982375 983193883 /nfs/dbraw/zinc/19/38/83/983193883.db2.gz FKTCLOXSWLKHBP-UHFFFAOYSA-N 1 0 424.501 3.899 20 5 HHBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000461616695 983241271 /nfs/dbraw/zinc/24/12/71/983241271.db2.gz ZINSKBMZWWIFLV-CYBMUJFWSA-N 1 0 401.457 3.810 20 5 HHBDRO COC1CC[NH+](C2(CNC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])CCCC2)CC1 ZINC000439110309 983254450 /nfs/dbraw/zinc/25/44/50/983254450.db2.gz TYIQXHRPDMFIOC-UHFFFAOYSA-N 1 0 409.914 3.710 20 5 HHBDRO C[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000439440601 983410316 /nfs/dbraw/zinc/41/03/16/983410316.db2.gz OMROPVGXIPIXRF-BZNIZROVSA-N 1 0 413.243 3.587 20 5 HHBDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441467401 984266958 /nfs/dbraw/zinc/26/69/58/984266958.db2.gz ASFZXFCKEPCWLF-CRAIPNDOSA-N 1 0 415.519 3.586 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC3CCC(C[NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000441919051 984539446 /nfs/dbraw/zinc/53/94/46/984539446.db2.gz AZIXOCIROBPHGI-LRYGQEGESA-N 1 0 402.539 3.681 20 5 HHBDRO CCOc1cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])cc1OCC ZINC000442194582 984716730 /nfs/dbraw/zinc/71/67/30/984716730.db2.gz KTHOHAORGDOOML-UHFFFAOYSA-N 1 0 408.499 3.634 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000462158037 985131361 /nfs/dbraw/zinc/13/13/61/985131361.db2.gz KCINCRDIJOEVDK-ACJLOTCBSA-N 1 0 418.291 3.608 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C ZINC000462325132 985314640 /nfs/dbraw/zinc/31/46/40/985314640.db2.gz FOTGWIVSKQUKCL-KXBFYZLASA-N 1 0 423.560 3.635 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC000462457442 985419570 /nfs/dbraw/zinc/41/95/70/985419570.db2.gz ZTIUKXKRBYNJLG-MRXNPFEDSA-N 1 0 402.520 3.672 20 5 HHBDRO CNc1c(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000462775328 985711557 /nfs/dbraw/zinc/71/15/57/985711557.db2.gz GIHIMTFPZCSNNX-ORAYPTAESA-N 1 0 420.872 3.852 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000462777655 985713282 /nfs/dbraw/zinc/71/32/82/985713282.db2.gz NQZBCHGICMUVSK-HKUYNNGSSA-N 1 0 410.518 3.900 20 5 HHBDRO CC[NH+](CC)CC1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000462785987 985721034 /nfs/dbraw/zinc/72/10/34/985721034.db2.gz URBQHFDHPZHCRK-UHFFFAOYSA-N 1 0 417.291 3.758 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)N2CCC(CCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000443603915 985780888 /nfs/dbraw/zinc/78/08/88/985780888.db2.gz MYZOLHHUWZXPRT-KRWDZBQOSA-N 1 0 418.538 3.518 20 5 HHBDRO CNC(=O)c1ccc(NCc2ccccc2C[N@H+](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000462887856 985813477 /nfs/dbraw/zinc/81/34/77/985813477.db2.gz KTIJAIRVXQPNNG-UHFFFAOYSA-N 1 0 408.458 3.792 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443711008 985922034 /nfs/dbraw/zinc/92/20/34/985922034.db2.gz QMUUJTATLJUYSC-UTKZUKDTSA-N 1 0 417.531 3.582 20 5 HHBDRO Cn1cc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463030130 985989373 /nfs/dbraw/zinc/98/93/73/985989373.db2.gz HBLAPGXDCAHBKG-XMMPIXPASA-N 1 0 420.513 3.813 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000463034285 985993974 /nfs/dbraw/zinc/99/39/74/985993974.db2.gz MSAQCKHDMOTOEP-HXUWFJFHSA-N 1 0 408.458 3.826 20 5 HHBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1OCCCO ZINC000463038815 985998053 /nfs/dbraw/zinc/99/80/53/985998053.db2.gz QYHQDSKVHITBCR-CYBMUJFWSA-N 1 0 409.280 3.969 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000443953524 986161855 /nfs/dbraw/zinc/16/18/55/986161855.db2.gz VKTZOERYVNVFMB-UHFFFAOYSA-N 1 0 400.479 3.516 20 5 HHBDRO O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000444008185 986204049 /nfs/dbraw/zinc/20/40/49/986204049.db2.gz HPZQLROPYCFQKJ-OAHLLOKOSA-N 1 0 411.452 3.660 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000463276435 986242976 /nfs/dbraw/zinc/24/29/76/986242976.db2.gz PDWVQXPJZPIYLV-LAUBAEHRSA-N 1 0 408.502 3.789 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000463291334 986258298 /nfs/dbraw/zinc/25/82/98/986258298.db2.gz WZECOYJGUXCFME-VGOFRKELSA-N 1 0 408.502 3.789 20 5 HHBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000444096058 986294091 /nfs/dbraw/zinc/29/40/91/986294091.db2.gz IBWOBOKDUBTROX-UHFFFAOYSA-N 1 0 408.408 3.668 20 5 HHBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463440809 986419035 /nfs/dbraw/zinc/41/90/35/986419035.db2.gz ATFZWYALRPTSOM-KGLIPLIRSA-N 1 0 401.385 3.946 20 5 HHBDRO C[NH+](C)CC1CCC(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000444237342 986427065 /nfs/dbraw/zinc/42/70/65/986427065.db2.gz JEPHFFZKYMZKBB-UHFFFAOYSA-N 1 0 413.468 3.810 20 5 HHBDRO CSc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)cc1[N+](=O)[O-] ZINC000444455592 986638731 /nfs/dbraw/zinc/63/87/31/986638731.db2.gz UHURTEPUALBCDQ-UHFFFAOYSA-N 1 0 401.488 3.526 20 5 HHBDRO CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000468980311 986685877 /nfs/dbraw/zinc/68/58/77/986685877.db2.gz PIQAQFACZAHANP-GOEBONIOSA-N 1 0 403.504 3.772 20 5 HHBDRO COC(=O)C[C@]1([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCOC1 ZINC000463717624 986703515 /nfs/dbraw/zinc/70/35/15/986703515.db2.gz QHFRPYZQBSGESU-HXUWFJFHSA-N 1 0 420.849 3.852 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCCOc3ccccc3)C3CCOCC3)nc2c1 ZINC000444685023 986864808 /nfs/dbraw/zinc/86/48/08/986864808.db2.gz QAGACIWKQXVBHS-UHFFFAOYSA-N 1 0 410.474 3.921 20 5 HHBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Br)s1 ZINC000444769848 986929164 /nfs/dbraw/zinc/92/91/64/986929164.db2.gz XUQNCEHUIBPAGO-JTQLQIEISA-N 1 0 410.293 3.659 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000469269754 986988493 /nfs/dbraw/zinc/98/84/93/986988493.db2.gz UWRLAYLAGKKKGS-LBPRGKRZSA-N 1 0 400.547 3.720 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469495697 987174822 /nfs/dbraw/zinc/17/48/22/987174822.db2.gz KFFIAYQOHHKRPW-MRXNPFEDSA-N 1 0 411.380 3.655 20 5 HHBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469562119 987232180 /nfs/dbraw/zinc/23/21/80/987232180.db2.gz MNLCACLBQFHTDJ-KRWDZBQOSA-N 1 0 410.396 3.688 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)cc2)C[C@H](C)O1 ZINC000445476666 987540812 /nfs/dbraw/zinc/54/08/12/987540812.db2.gz GSJZKXFQLOGTDK-BETUJISGSA-N 1 0 400.460 3.983 20 5 HHBDRO C[N@H+](CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000445692611 987758735 /nfs/dbraw/zinc/75/87/35/987758735.db2.gz VDKDHANXZJQKAB-UHFFFAOYSA-N 1 0 412.328 3.671 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000470145581 988052541 /nfs/dbraw/zinc/05/25/41/988052541.db2.gz WRADIQLWFQVPLG-LJQANCHMSA-N 1 0 402.426 3.701 20 5 HHBDRO C[C@@H]1C[C@@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000464061303 988183107 /nfs/dbraw/zinc/18/31/07/988183107.db2.gz HOPXTBJKSMRGBJ-QUCCMNQESA-N 1 0 410.518 3.543 20 5 HHBDRO CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470654570 988670550 /nfs/dbraw/zinc/67/05/50/988670550.db2.gz UNRQLWNYHOLLAJ-FQEVSTJZSA-N 1 0 419.485 3.517 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000470677718 988702399 /nfs/dbraw/zinc/70/23/99/988702399.db2.gz KIVZPVGUHPWVAZ-WMZOPIPTSA-N 1 0 411.506 3.766 20 5 HHBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000464547883 988724831 /nfs/dbraw/zinc/72/48/31/988724831.db2.gz JTQCZCGOECCIRG-QRVBRYPASA-N 1 0 416.566 3.881 20 5 HHBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000464657927 988849500 /nfs/dbraw/zinc/84/95/00/988849500.db2.gz UDGJLNDTODYJMM-GOSISDBHSA-N 1 0 402.539 3.635 20 5 HHBDRO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464658791 988850929 /nfs/dbraw/zinc/85/09/29/988850929.db2.gz FYDSKOSKOYNMPH-QFIPXVFZSA-N 1 0 409.486 3.629 20 5 HHBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000464673526 988872061 /nfs/dbraw/zinc/87/20/61/988872061.db2.gz VAHPRFUTPALMKF-ROUUACIJSA-N 1 0 402.539 3.635 20 5 HHBDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000464735100 988955883 /nfs/dbraw/zinc/95/58/83/988955883.db2.gz MJZSGIBOKGLTPL-AWEZNQCLSA-N 1 0 417.428 3.616 20 5 HHBDRO CCOc1ccccc1NC(=O)[C@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464771497 988994526 /nfs/dbraw/zinc/99/45/26/988994526.db2.gz FLPJZAODLNNIHT-INIZCTEOSA-N 1 0 413.474 3.864 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000464785743 989015044 /nfs/dbraw/zinc/01/50/44/989015044.db2.gz RWOSBFFPBMQVMZ-LJQANCHMSA-N 1 0 403.454 3.880 20 5 HHBDRO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CCN(c2ccccn2)CC1 ZINC000464808604 989040860 /nfs/dbraw/zinc/04/08/60/989040860.db2.gz XOUYCTWCEXTGFP-UHFFFAOYSA-N 1 0 422.489 3.778 20 5 HHBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000471173292 989300791 /nfs/dbraw/zinc/30/07/91/989300791.db2.gz QBFHLJURXUCOSS-KRWDZBQOSA-N 1 0 402.882 3.788 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000471194587 989330818 /nfs/dbraw/zinc/33/08/18/989330818.db2.gz DWZAUJMBZYBXBC-OAHLLOKOSA-N 1 0 420.416 3.840 20 5 HHBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc21 ZINC000465138414 989468542 /nfs/dbraw/zinc/46/85/42/989468542.db2.gz KQCQXTQXPRPKEV-UHFFFAOYSA-N 1 0 400.866 3.946 20 5 HHBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000465272033 989629391 /nfs/dbraw/zinc/62/93/91/989629391.db2.gz IDJIUHLYTBHLEA-CQSZACIVSA-N 1 0 416.444 3.510 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000471607990 989812394 /nfs/dbraw/zinc/81/23/94/989812394.db2.gz ANELRDQYLSDWGR-VQIMIIECSA-N 1 0 407.474 3.793 20 5 HHBDRO CC[NH+]1CCN(c2cccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)c2)CC1 ZINC000471640892 989846843 /nfs/dbraw/zinc/84/68/43/989846843.db2.gz CDYUCUBKQIRKFC-UHFFFAOYSA-N 1 0 414.481 3.792 20 5 HHBDRO CC[NH+](CC)Cc1ccccc1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000472025447 990197470 /nfs/dbraw/zinc/19/74/70/990197470.db2.gz AXCPCUFFRLOYOB-UHFFFAOYSA-N 1 0 412.534 3.881 20 5 HHBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000465873537 990987701 /nfs/dbraw/zinc/98/77/01/990987701.db2.gz JPDBHHQBCYQSJI-SEJPIABJSA-N 1 0 408.502 3.632 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000467218141 992542719 /nfs/dbraw/zinc/54/27/19/992542719.db2.gz OBPQSNHKWZPPBJ-UHFFFAOYSA-N 1 0 402.882 3.666 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467448959 992744034 /nfs/dbraw/zinc/74/40/34/992744034.db2.gz HFPGUDOMPDIAAP-MGPUTAFESA-N 1 0 416.909 3.958 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000467664692 992923549 /nfs/dbraw/zinc/92/35/49/992923549.db2.gz WLTTXEOOUJUNCB-UHFFFAOYSA-N 1 0 413.474 3.954 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000467717542 992971149 /nfs/dbraw/zinc/97/11/49/992971149.db2.gz DBQHBPQSZFKYEX-XOBRGWDASA-N 1 0 411.458 3.608 20 5 HHBDRO CC(C)c1ccc(C(=O)Nc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000467841287 993073719 /nfs/dbraw/zinc/07/37/19/993073719.db2.gz YUYXBPVHNBBDCG-GOSISDBHSA-N 1 0 424.501 3.668 20 5 HHBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472456196 993458501 /nfs/dbraw/zinc/45/85/01/993458501.db2.gz RJVNZKOJWGNSSO-HXUWFJFHSA-N 1 0 407.474 3.741 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000472494845 993495662 /nfs/dbraw/zinc/49/56/62/993495662.db2.gz FRMCQFFMXLQZMF-QZTJIDSGSA-N 1 0 420.513 3.822 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000472494841 993495769 /nfs/dbraw/zinc/49/57/69/993495769.db2.gz FRMCQFFMXLQZMF-PFWHTEFJSA-N 1 0 420.513 3.822 20 5 HHBDRO CCOc1ccc(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000472502834 993501470 /nfs/dbraw/zinc/50/14/70/993501470.db2.gz PYKVWQALEGSCMB-IRXDYDNUSA-N 1 0 411.502 3.880 20 5 HHBDRO O=C(Nc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1)c1cccnc1 ZINC000472646294 993582936 /nfs/dbraw/zinc/58/29/36/993582936.db2.gz LITDOYJPTUMKSA-PMACEKPBSA-N 1 0 420.473 3.712 20 5 HHBDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000480714303 993583971 /nfs/dbraw/zinc/58/39/71/993583971.db2.gz YIVTXRSAHUKZQE-LJQANCHMSA-N 1 0 421.494 3.905 20 5 HHBDRO CC[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000480720551 993588754 /nfs/dbraw/zinc/58/87/54/993588754.db2.gz SVNMKFCNMHIVBE-SFHVURJKSA-N 1 0 407.467 3.515 20 5 HHBDRO Cc1cccc([C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)N2CCOCC2)c1 ZINC000480781552 993648347 /nfs/dbraw/zinc/64/83/47/993648347.db2.gz VBKPLXKESQKLFZ-ISKFKSNPSA-N 1 0 409.530 3.887 20 5 HHBDRO Cc1cccc([C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)N2CCOCC2)c1 ZINC000480781554 993648720 /nfs/dbraw/zinc/64/87/20/993648720.db2.gz VBKPLXKESQKLFZ-UPVQGACJSA-N 1 0 409.530 3.887 20 5 HHBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000481063899 993904934 /nfs/dbraw/zinc/90/49/34/993904934.db2.gz YURFZUAAWPSACQ-QAPCUYQASA-N 1 0 423.560 3.635 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481170279 994001093 /nfs/dbraw/zinc/00/10/93/994001093.db2.gz OWXBNNTZJLEDFF-DNVCBOLYSA-N 1 0 416.909 3.687 20 5 HHBDRO COCC[C@@H](c1ccccc1)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481175770 994005817 /nfs/dbraw/zinc/00/58/17/994005817.db2.gz JNSWLFPBIWHDOE-NRFANRHFSA-N 1 0 409.490 3.761 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2[N+](=O)[O-])n1 ZINC000481256456 994079528 /nfs/dbraw/zinc/07/95/28/994079528.db2.gz SAZSYZOYIOECLK-LSDHHAIUSA-N 1 0 418.544 3.868 20 5 HHBDRO CN(CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccccc1[N+](=O)[O-] ZINC000473499411 994346321 /nfs/dbraw/zinc/34/63/21/994346321.db2.gz SMJWRQRHZGLCTG-XMMPIXPASA-N 1 0 422.529 3.546 20 5 HHBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473506256 994355688 /nfs/dbraw/zinc/35/56/88/994355688.db2.gz RLYCFCGWCCYYCM-QHCPKHFHSA-N 1 0 419.485 3.599 20 5 HHBDRO O=C(Nc1cccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1)[C@H]1CCCO1 ZINC000481568087 994403300 /nfs/dbraw/zinc/40/33/00/994403300.db2.gz JBIQCSIKZAPSJG-RBBKRZOGSA-N 1 0 409.486 3.823 20 5 HHBDRO COC1CC[NH+](C2(CNC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CCCC2)CC1 ZINC000473574369 994442988 /nfs/dbraw/zinc/44/29/88/994442988.db2.gz DRRNMSKMIANKSE-UHFFFAOYSA-N 1 0 403.523 3.872 20 5 HHBDRO COc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481887247 994754080 /nfs/dbraw/zinc/75/40/80/994754080.db2.gz CENVIWCUBFFESO-UXHICEINSA-N 1 0 409.486 3.730 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000481991911 994892749 /nfs/dbraw/zinc/89/27/49/994892749.db2.gz MPKYTGKWFUKZFT-HOTGVXAUSA-N 1 0 409.552 3.572 20 5 HHBDRO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1 ZINC000482008903 994913200 /nfs/dbraw/zinc/91/32/00/994913200.db2.gz NPDHFMBYSYPINX-KRWDZBQOSA-N 1 0 422.441 3.723 20 5 HHBDRO COc1cccc([C@H]2[C@@H](NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC[N@@H+]2C2CC2)c1 ZINC000482049131 994972632 /nfs/dbraw/zinc/97/26/32/994972632.db2.gz MZWGKOBGCXDTHS-VXKWHMMOSA-N 1 0 423.513 3.975 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]CC2(c3ccc(F)cc3Cl)CC2)cc1[N+](=O)[O-] ZINC000473996383 994985356 /nfs/dbraw/zinc/98/53/56/994985356.db2.gz QKRMGABHCSJWBC-UHFFFAOYSA-N 1 0 422.840 3.761 20 5 HHBDRO C[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000482087917 995028570 /nfs/dbraw/zinc/02/85/70/995028570.db2.gz HABQNIXZYFHBKZ-ZDUSSCGKSA-N 1 0 406.280 3.828 20 5 HHBDRO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000482136945 995086918 /nfs/dbraw/zinc/08/69/18/995086918.db2.gz QKAUKGXCQICBNM-OAQYLSRUSA-N 1 0 410.518 3.596 20 5 HHBDRO Cc1c(Cl)cc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000474213441 995207721 /nfs/dbraw/zinc/20/77/21/995207721.db2.gz GDTNYVRONMGKFK-UHFFFAOYSA-N 1 0 415.943 3.632 20 5 HHBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 ZINC000482341648 995320052 /nfs/dbraw/zinc/32/00/52/995320052.db2.gz FHQVVPCIHMVSGJ-UHFFFAOYSA-N 1 0 403.504 3.529 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]CCc2csc3ccccc23)cc1[N+](=O)[O-] ZINC000474344597 995324456 /nfs/dbraw/zinc/32/44/56/995324456.db2.gz KMBHGZIUKRYRPB-UHFFFAOYSA-N 1 0 400.456 3.694 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000474351629 995331245 /nfs/dbraw/zinc/33/12/45/995331245.db2.gz LVNKXFKQIBWNGL-YEJXKQKISA-N 1 0 402.422 3.699 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]CCc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000474371490 995351756 /nfs/dbraw/zinc/35/17/56/995351756.db2.gz LJWLUQZWRXTXPT-UHFFFAOYSA-N 1 0 413.257 3.786 20 5 HHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000482506268 995516023 /nfs/dbraw/zinc/51/60/23/995516023.db2.gz JBKQLQQEIZRXDK-QGZVFWFLSA-N 1 0 417.531 3.663 20 5 HHBDRO O=[N+]([O-])c1cc(Br)cnc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000474774412 995702385 /nfs/dbraw/zinc/70/23/85/995702385.db2.gz JHMCALBNLMHWEW-UHFFFAOYSA-N 1 0 405.296 3.871 20 5 HHBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000482985042 995902094 /nfs/dbraw/zinc/90/20/94/995902094.db2.gz BPATXYDBNXYEBN-PMACEKPBSA-N 1 0 418.856 3.666 20 5 HHBDRO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000483013846 995919705 /nfs/dbraw/zinc/91/97/05/995919705.db2.gz HNBGWCKHFPSRSV-XOBRGWDASA-N 1 0 418.519 3.936 20 5 HHBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000483114366 995983922 /nfs/dbraw/zinc/98/39/22/995983922.db2.gz CLVCAGQTWXMSJJ-UHFFFAOYSA-N 1 0 408.502 3.811 20 5 HHBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000483253839 996062614 /nfs/dbraw/zinc/06/26/14/996062614.db2.gz LNERPIBZNDVQJW-MRXNPFEDSA-N 1 0 404.772 3.969 20 5 HHBDRO Cn1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475334439 996075900 /nfs/dbraw/zinc/07/59/00/996075900.db2.gz JZUTUKCUKLEEQS-OYRHEFFESA-N 1 0 417.513 3.559 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000475334533 996075951 /nfs/dbraw/zinc/07/59/51/996075951.db2.gz LILJWTTWGDVPSH-QFIPXVFZSA-N 1 0 400.475 3.919 20 5 HHBDRO Cc1c(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000483349326 996116165 /nfs/dbraw/zinc/11/61/65/996116165.db2.gz FVBGFTDHOPQMBO-DOMZBBRYSA-N 1 0 411.300 3.756 20 5 HHBDRO COc1c(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)cccc1[N+](=O)[O-] ZINC000475461438 996156356 /nfs/dbraw/zinc/15/63/56/996156356.db2.gz FZWPAKOABPCIFY-UHFFFAOYSA-N 1 0 401.488 3.713 20 5 HHBDRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000483833160 996415921 /nfs/dbraw/zinc/41/59/21/996415921.db2.gz NTYRJTPJGDCTFN-UHFFFAOYSA-N 1 0 412.490 3.788 20 5 HHBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000476199658 996672198 /nfs/dbraw/zinc/67/21/98/996672198.db2.gz UXUVBMSTCDWETG-CYBMUJFWSA-N 1 0 403.401 3.530 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000484320641 996701157 /nfs/dbraw/zinc/70/11/57/996701157.db2.gz YANMBZXHHSQQGB-QRWLVFNGSA-N 1 0 409.552 3.574 20 5 HHBDRO O=C(NC1CC1)c1ccc(NCC2([NH+]3CCSCC3)CCCCC2)c([N+](=O)[O-])c1 ZINC000484593500 996927081 /nfs/dbraw/zinc/92/70/81/996927081.db2.gz VFNDMOTXHBLSKV-UHFFFAOYSA-N 1 0 418.563 3.651 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000484626096 996958929 /nfs/dbraw/zinc/95/89/29/996958929.db2.gz XZVRVXXPIXKEIV-CABCVRRESA-N 1 0 410.421 3.717 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2Oc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000484651835 996988522 /nfs/dbraw/zinc/98/85/22/996988522.db2.gz NUIBFGRXNIOCOO-FPOVZHCZSA-N 1 0 413.474 3.830 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1SC ZINC000484959204 997336777 /nfs/dbraw/zinc/33/67/77/997336777.db2.gz NFBPTWMRZZGIML-SFHVURJKSA-N 1 0 415.515 3.892 20 5 HHBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000485003083 997366469 /nfs/dbraw/zinc/36/64/69/997366469.db2.gz QRYIGQQIBKRNGM-UHFFFAOYSA-N 1 0 401.772 3.708 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000477074797 997725902 /nfs/dbraw/zinc/72/59/02/997725902.db2.gz LPQLFQNECUZKDH-HBIPHATFSA-N 1 0 403.504 3.662 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000477074800 997726170 /nfs/dbraw/zinc/72/61/70/997726170.db2.gz LPQLFQNECUZKDH-OHZJNBGDSA-N 1 0 403.504 3.662 20 5 HHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000477075365 997727209 /nfs/dbraw/zinc/72/72/09/997727209.db2.gz MLLSLDAFQYZFTN-NTKDMRAZSA-N 1 0 422.529 3.910 20 5 HHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485336609 997752773 /nfs/dbraw/zinc/75/27/73/997752773.db2.gz HOZHNOGMJUEMLE-UZKOGDIHSA-N 1 0 422.529 3.908 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485353088 997775442 /nfs/dbraw/zinc/77/54/42/997775442.db2.gz UJENIJASAMGGLT-NFBKMPQASA-N 1 0 422.529 3.828 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485353101 997775803 /nfs/dbraw/zinc/77/58/03/997775803.db2.gz UJENIJASAMGGLT-REWPJTCUSA-N 1 0 422.529 3.828 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485364077 997789547 /nfs/dbraw/zinc/78/95/47/997789547.db2.gz SCNZNZNZDSFERY-NFBKMPQASA-N 1 0 422.529 3.828 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485365523 997791494 /nfs/dbraw/zinc/79/14/94/997791494.db2.gz WHVGLHDKRCUZFD-SFTDATJTSA-N 1 0 422.529 3.828 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000477458976 998170287 /nfs/dbraw/zinc/17/02/87/998170287.db2.gz MHOUCKRNGWAYJE-UHFFFAOYSA-N 1 0 409.364 3.840 20 5 HHBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000485795632 998264792 /nfs/dbraw/zinc/26/47/92/998264792.db2.gz UANAPYAYUHBZHB-OAHLLOKOSA-N 1 0 419.428 3.933 20 5 HHBDRO COC(=O)c1cnc(NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000477725136 998453502 /nfs/dbraw/zinc/45/35/02/998453502.db2.gz JGLJYQBDZBBXMM-HNNXBMFYSA-N 1 0 412.368 3.510 20 5 HHBDRO CCOc1cc2[nH+]ccc(N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2cc1OCC ZINC000486028736 998475625 /nfs/dbraw/zinc/47/56/25/998475625.db2.gz NAUDKUPLKPGBAF-UHFFFAOYSA-N 1 0 411.462 3.978 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1SC ZINC000486118382 998566529 /nfs/dbraw/zinc/56/65/29/998566529.db2.gz JZHBCJZUUXUGFT-ZNMIVQPWSA-N 1 0 407.536 3.803 20 5 HHBDRO C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000486189735 998631704 /nfs/dbraw/zinc/63/17/04/998631704.db2.gz CKEJEDWXRQTRFT-ZDUSSCGKSA-N 1 0 420.872 3.630 20 5 HHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 ZINC000486916616 999005352 /nfs/dbraw/zinc/00/53/52/999005352.db2.gz LVCGXVWBZLHQHI-UHFFFAOYSA-N 1 0 403.504 3.707 20 5 HHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000487039509 999045134 /nfs/dbraw/zinc/04/51/34/999045134.db2.gz JCKDNBVKPYXJFQ-PKOBYXMFSA-N 1 0 413.543 3.756 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000487354184 999144968 /nfs/dbraw/zinc/14/49/68/999144968.db2.gz PRXRLLSNPXPKOY-QFIPXVFZSA-N 1 0 408.502 3.933 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000487384391 999155435 /nfs/dbraw/zinc/15/54/35/999155435.db2.gz HHPSVNSYDJQOIT-UHFFFAOYSA-N 1 0 403.504 3.577 20 5 HHBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487912983 999313650 /nfs/dbraw/zinc/31/36/50/999313650.db2.gz JPVGAISTVOMMPI-SFHVURJKSA-N 1 0 411.506 3.509 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000488110126 999379016 /nfs/dbraw/zinc/37/90/16/999379016.db2.gz POVJYZAHCTUSOJ-LJQANCHMSA-N 1 0 410.518 3.601 20 5 HHBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479377442 999411401 /nfs/dbraw/zinc/41/14/01/999411401.db2.gz OFXUVMMKQRWLRO-UHFFFAOYSA-N 1 0 419.485 3.696 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCCn1cc(Br)cn1)C1CC1 ZINC000479451597 999423740 /nfs/dbraw/zinc/42/37/40/999423740.db2.gz JXAXORIFBMKFQX-QGZVFWFLSA-N 1 0 407.312 3.945 20 5 HHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)n1 ZINC000479481116 999436243 /nfs/dbraw/zinc/43/62/43/999436243.db2.gz QUBUELNYRXBHHH-GQGLESIBSA-N 1 0 415.460 3.670 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccsc1 ZINC000479744039 999567911 /nfs/dbraw/zinc/56/79/11/999567911.db2.gz KHYNUUKUJLBBFZ-LJQANCHMSA-N 1 0 413.503 3.655 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000488677642 999568736 /nfs/dbraw/zinc/56/87/36/999568736.db2.gz MHFJTOBKNQIPHP-UHFFFAOYSA-N 1 0 410.518 3.910 20 5 HHBDRO COc1cc(Br)ccc1CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488712224 999584166 /nfs/dbraw/zinc/58/41/66/999584166.db2.gz JGMXHOHORJNEPJ-UHFFFAOYSA-N 1 0 423.311 3.832 20 5 HHBDRO COC[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000488743384 999595415 /nfs/dbraw/zinc/59/54/15/999595415.db2.gz AAMTVVBMLKETSJ-INIZCTEOSA-N 1 0 405.838 3.524 20 5 HHBDRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000479916614 999648118 /nfs/dbraw/zinc/64/81/18/999648118.db2.gz AEBYKWODXZHYQA-UHFFFAOYSA-N 1 0 410.243 3.923 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000489103507 999700500 /nfs/dbraw/zinc/70/05/00/999700500.db2.gz PAZCXIBOPNLLEG-NVXWUHKLSA-N 1 0 417.531 3.549 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000489206737 999722547 /nfs/dbraw/zinc/72/25/47/999722547.db2.gz PMZDUJGOXBRMJH-QFIPXVFZSA-N 1 0 410.518 3.924 20 5 HHBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCSC1 ZINC000480276858 999761443 /nfs/dbraw/zinc/76/14/43/999761443.db2.gz JDQMUJYRLVOFLL-HXUWFJFHSA-N 1 0 401.488 3.554 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000489774981 999835806 /nfs/dbraw/zinc/83/58/06/999835806.db2.gz IZDAJOHYYFIHRZ-MRXNPFEDSA-N 1 0 411.506 3.750 20 5 HHBDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cn2)C[C@@H](C)O1 ZINC000480608157 999839656 /nfs/dbraw/zinc/83/96/56/999839656.db2.gz GDVLYBPFIFVFCA-CBGDNZLLSA-N 1 0 410.518 3.714 20 5 HHBDRO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000489864506 999851120 /nfs/dbraw/zinc/85/11/20/999851120.db2.gz KRBSWJIUDSBFTK-SFHVURJKSA-N 1 0 410.518 3.971 20 5 HHBDRO CCOC(=O)c1ccc(N2CCC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nc1 ZINC000489977075 999872053 /nfs/dbraw/zinc/87/20/53/999872053.db2.gz JDIRWAVXJKAGEV-QGZVFWFLSA-N 1 0 412.490 3.748 20 5 HHBDRO CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000490008635 999876740 /nfs/dbraw/zinc/87/67/40/999876740.db2.gz HMHOMWGUBKUUQE-IBGZPJMESA-N 1 0 419.485 3.517 20 5 HHBDRO C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490760563 1000002056 /nfs/dbraw/zinc/00/20/56/1000002056.db2.gz UKNDMDICMWDOIY-ICSRJNTNSA-N 1 0 410.518 3.814 20 5 HHBDRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000491830841 1000096290 /nfs/dbraw/zinc/09/62/90/1000096290.db2.gz GDJBZHHOVFKFTJ-UHFFFAOYSA-N 1 0 403.932 3.523 20 5 HHBDRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000491926055 1000101128 /nfs/dbraw/zinc/10/11/28/1000101128.db2.gz APYBBNNTAAADHE-UHFFFAOYSA-N 1 0 403.932 3.523 20 5 HHBDRO CCOc1cc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000492696568 1000139573 /nfs/dbraw/zinc/13/95/73/1000139573.db2.gz OGSGSWOFIUWISZ-UHFFFAOYSA-N 1 0 409.486 3.795 20 5 HHBDRO CC[C@@H](NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000493133454 1000159159 /nfs/dbraw/zinc/15/91/59/1000159159.db2.gz PMDUXGRAHRAEGD-LLGFUMIMSA-N 1 0 418.538 3.577 20 5 HHBDRO O=[N+]([O-])c1cccc([C@@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc2)c1 ZINC000493245499 1000164853 /nfs/dbraw/zinc/16/48/53/1000164853.db2.gz CKMLBBNTZFLTIV-DQEYMECFSA-N 1 0 417.509 3.911 20 5 HHBDRO COc1cc(C[NH2+]CCc2cc(F)ccc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000493762929 1000190718 /nfs/dbraw/zinc/19/07/18/1000190718.db2.gz HGSIVNVXRCIIGQ-UHFFFAOYSA-N 1 0 402.344 3.858 20 5 HHBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000493815268 1000195298 /nfs/dbraw/zinc/19/52/98/1000195298.db2.gz ICXZEPSJDOTGKK-BEFAXECRSA-N 1 0 423.560 3.635 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000493924063 1000216970 /nfs/dbraw/zinc/21/69/70/1000216970.db2.gz GLXWVKRJSCQJPS-KHDYIWLOSA-N 1 0 405.401 3.628 20 5 HHBDRO CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000494005683 1000264152 /nfs/dbraw/zinc/26/41/52/1000264152.db2.gz BSUUHQSHTDGMNS-UHFFFAOYSA-N 1 0 402.539 3.922 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494029593 1000276422 /nfs/dbraw/zinc/27/64/22/1000276422.db2.gz QKNMVRCRBVIPMJ-CABCVRRESA-N 1 0 402.438 3.931 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1[N+](=O)[O-] ZINC000504893032 1000432586 /nfs/dbraw/zinc/43/25/86/1000432586.db2.gz AYTKBLQHQNSTGQ-RDJZCZTQSA-N 1 0 415.490 3.940 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504894792 1000433657 /nfs/dbraw/zinc/43/36/57/1000433657.db2.gz OEMGRLPFFQEZQD-YJBOKZPZSA-N 1 0 405.520 3.779 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000504911210 1000443857 /nfs/dbraw/zinc/44/38/57/1000443857.db2.gz CADWIKKGUABNLL-GOEBONIOSA-N 1 0 423.560 3.724 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccnc(OC3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000504926565 1000452236 /nfs/dbraw/zinc/45/22/36/1000452236.db2.gz JCSDTJWKQGMNMD-HNNXBMFYSA-N 1 0 401.463 3.797 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000504927828 1000453299 /nfs/dbraw/zinc/45/32/99/1000453299.db2.gz VHDQTOCCXKGONU-HUUCEWRRSA-N 1 0 421.519 3.656 20 5 HHBDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000494450040 1000498915 /nfs/dbraw/zinc/49/89/15/1000498915.db2.gz DKNGHXCGHYBMJL-UHFFFAOYSA-N 1 0 417.531 3.891 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494474349 1000511715 /nfs/dbraw/zinc/51/17/15/1000511715.db2.gz MHLPEOFOBPOFFS-MJGOQNOKSA-N 1 0 407.829 3.754 20 5 HHBDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494479779 1000515091 /nfs/dbraw/zinc/51/50/91/1000515091.db2.gz YYGHQTOTRHAOSK-SDDDUWNISA-N 1 0 407.829 3.834 20 5 HHBDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000494481696 1000516515 /nfs/dbraw/zinc/51/65/15/1000516515.db2.gz BJXKEJRRJSKUDX-UHFFFAOYSA-N 1 0 403.504 3.583 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494497288 1000524704 /nfs/dbraw/zinc/52/47/04/1000524704.db2.gz WLNMQYMNRKDPQB-VQIMIIECSA-N 1 0 417.849 3.666 20 5 HHBDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000505063721 1000532620 /nfs/dbraw/zinc/53/26/20/1000532620.db2.gz SFFRGYDLYBOGBQ-LJQANCHMSA-N 1 0 405.882 3.688 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494512234 1000532919 /nfs/dbraw/zinc/53/29/19/1000532919.db2.gz YFWZEQAAXMDDGO-VQIMIIECSA-N 1 0 407.829 3.754 20 5 HHBDRO O=C(CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000494511795 1000533162 /nfs/dbraw/zinc/53/31/62/1000533162.db2.gz QLHQFNBCFIRYIM-VQIMIIECSA-N 1 0 407.829 3.836 20 5 HHBDRO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000494627364 1000579165 /nfs/dbraw/zinc/57/91/65/1000579165.db2.gz YTTAJBZEPAQDDP-UHFFFAOYSA-N 1 0 409.486 3.874 20 5 HHBDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000494848847 1000693841 /nfs/dbraw/zinc/69/38/41/1000693841.db2.gz PMPNYJILIPURIA-UHFFFAOYSA-N 1 0 421.519 3.537 20 5 HHBDRO CC(C)OCCC[N@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000495024710 1000785695 /nfs/dbraw/zinc/78/56/95/1000785695.db2.gz LAHUEDQYUQYRPX-CQSZACIVSA-N 1 0 406.508 3.792 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000505575236 1000915604 /nfs/dbraw/zinc/91/56/04/1000915604.db2.gz QIEFXRAHHNXSLQ-YWZLYKJASA-N 1 0 417.531 3.755 20 5 HHBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000505603999 1000929688 /nfs/dbraw/zinc/92/96/88/1000929688.db2.gz DQKRZKKRWAFSCO-PXAZEXFGSA-N 1 0 406.280 3.779 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1SC ZINC000505639452 1000949037 /nfs/dbraw/zinc/94/90/37/1000949037.db2.gz YUHUDMMHDZBMRS-DJJJIMSYSA-N 1 0 403.504 3.747 20 5 HHBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000495289946 1000954370 /nfs/dbraw/zinc/95/43/70/1000954370.db2.gz CPSRTUCDZIYHAY-KRWDZBQOSA-N 1 0 402.539 3.633 20 5 HHBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 ZINC000495474503 1001025052 /nfs/dbraw/zinc/02/50/52/1001025052.db2.gz OPBJKOGGTWLMHG-HNNXBMFYSA-N 1 0 416.909 3.884 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000505919801 1001101270 /nfs/dbraw/zinc/10/12/70/1001101270.db2.gz VOCVIFWPKCUSKO-ZWKOTPCHSA-N 1 0 411.506 3.507 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000506153528 1001251931 /nfs/dbraw/zinc/25/19/31/1001251931.db2.gz QLAAVOIHVGFFMD-QGZVFWFLSA-N 1 0 411.506 3.769 20 5 HHBDRO COc1cc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000497201203 1001280316 /nfs/dbraw/zinc/28/03/16/1001280316.db2.gz VDADHYPJXONEAP-DOMZBBRYSA-N 1 0 406.401 3.527 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000506232997 1001295704 /nfs/dbraw/zinc/29/57/04/1001295704.db2.gz NHBQVYGPRHVDFK-GJZGRUSLSA-N 1 0 415.943 3.523 20 5 HHBDRO COc1ccc(-c2ccc(C[NH+]3CCC(C(=O)N4CCCC4)CC3)o2)c([N+](=O)[O-])c1 ZINC000506310976 1001345568 /nfs/dbraw/zinc/34/55/68/1001345568.db2.gz UQDDYYBIAZDRII-UHFFFAOYSA-N 1 0 413.474 3.698 20 5 HHBDRO COc1ccc([C@H]2C[C@H](NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C2)cc1F ZINC000506315063 1001349197 /nfs/dbraw/zinc/34/91/97/1001349197.db2.gz BVQVUJMHIJVLTF-WKILWMFISA-N 1 0 410.405 3.604 20 5 HHBDRO CCOc1cc(C[N@H+](C)CC)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000506329440 1001358506 /nfs/dbraw/zinc/35/85/06/1001358506.db2.gz ZWSMLLUQRIMPPN-UHFFFAOYSA-N 1 0 402.447 3.891 20 5 HHBDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000497591876 1001450324 /nfs/dbraw/zinc/45/03/24/1001450324.db2.gz HHADGJOPNCVRBY-LBPRGKRZSA-N 1 0 424.860 3.929 20 5 HHBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497595688 1001451598 /nfs/dbraw/zinc/45/15/98/1001451598.db2.gz QIYWWGYHMPVGNO-UHFFFAOYSA-N 1 0 407.417 3.837 20 5 HHBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)c(OC)c1 ZINC000506640407 1001480020 /nfs/dbraw/zinc/48/00/20/1001480020.db2.gz YWAXXTLDEROXHD-CZUORRHYSA-N 1 0 417.462 3.689 20 5 HHBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000497925562 1001567781 /nfs/dbraw/zinc/56/77/81/1001567781.db2.gz RAJUQURONSNUSM-UHFFFAOYSA-N 1 0 422.485 3.794 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000497925186 1001567813 /nfs/dbraw/zinc/56/78/13/1001567813.db2.gz PADCNFQLLJHZQL-UHFFFAOYSA-N 1 0 422.485 3.794 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000497926779 1001568235 /nfs/dbraw/zinc/56/82/35/1001568235.db2.gz ZPGOHMMSFYQNEH-UHFFFAOYSA-N 1 0 404.470 3.846 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000506868771 1001573459 /nfs/dbraw/zinc/57/34/59/1001573459.db2.gz OZKZMGPERWUMRW-UHFFFAOYSA-N 1 0 412.490 3.812 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000497985722 1001591765 /nfs/dbraw/zinc/59/17/65/1001591765.db2.gz WPKLWDQZSZWOFP-MJGOQNOKSA-N 1 0 417.531 3.749 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1SC ZINC000498126090 1001652976 /nfs/dbraw/zinc/65/29/76/1001652976.db2.gz NBQVLBYKJWURDH-UHFFFAOYSA-N 1 0 421.494 3.668 20 5 HHBDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccccc1 ZINC000498270680 1001745330 /nfs/dbraw/zinc/74/53/30/1001745330.db2.gz PVSOYWCSYZWGBB-HXUWFJFHSA-N 1 0 422.485 3.582 20 5 HHBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000507175616 1001862688 /nfs/dbraw/zinc/86/26/88/1001862688.db2.gz WPYZRDVFCLFYLM-UHFFFAOYSA-N 1 0 406.442 3.921 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498457512 1001884895 /nfs/dbraw/zinc/88/48/95/1001884895.db2.gz NGCIQUMZHFRZKD-UHFFFAOYSA-N 1 0 422.888 3.703 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000507369750 1002028562 /nfs/dbraw/zinc/02/85/62/1002028562.db2.gz GAMFEEPOIUTTIX-DLBZAZTESA-N 1 0 411.506 3.767 20 5 HHBDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000507580424 1002185036 /nfs/dbraw/zinc/18/50/36/1002185036.db2.gz OOHBGPZCDVHLTB-UHFFFAOYSA-N 1 0 408.458 3.916 20 5 HHBDRO Cn1ccnc1C(=O)c1ccc(N[C@H](C[NH+]2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000498805615 1002190171 /nfs/dbraw/zinc/19/01/71/1002190171.db2.gz OHFBVKXSIRAUJK-HXUWFJFHSA-N 1 0 419.485 3.808 20 5 HHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498935672 1002333270 /nfs/dbraw/zinc/33/32/70/1002333270.db2.gz LRMFGYDMEYUOIO-SWLSCSKDSA-N 1 0 409.450 3.581 20 5 HHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498935673 1002333735 /nfs/dbraw/zinc/33/37/35/1002333735.db2.gz LRMFGYDMEYUOIO-WFASDCNBSA-N 1 0 409.450 3.581 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000508345564 1002846946 /nfs/dbraw/zinc/84/69/46/1002846946.db2.gz VSAACTQURQSZJV-ZDUSSCGKSA-N 1 0 419.865 3.916 20 5 HHBDRO COc1cc(CN(C)C[C@H]2CCC[N@H+](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508547102 1003021815 /nfs/dbraw/zinc/02/18/15/1003021815.db2.gz AGUDFXQZGPKJBO-FQEVSTJZSA-N 1 0 413.518 3.956 20 5 HHBDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000508603593 1003059139 /nfs/dbraw/zinc/05/91/39/1003059139.db2.gz JOZLGQNANQAVET-AEFFLSMTSA-N 1 0 419.485 3.533 20 5 HHBDRO C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000500094999 1003456351 /nfs/dbraw/zinc/45/63/51/1003456351.db2.gz XEAKOYGVODPONO-AZUAARDMSA-N 1 0 410.518 3.908 20 5 HHBDRO COc1cccc(C2(F)CC[NH+](CCOc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000500170804 1003522364 /nfs/dbraw/zinc/52/23/64/1003522364.db2.gz NHCSXCYQNINKIF-UHFFFAOYSA-N 1 0 404.438 3.952 20 5 HHBDRO C[C@H]([NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@H]1CCOC1 ZINC000500214491 1003556748 /nfs/dbraw/zinc/55/67/48/1003556748.db2.gz AEHXWJXINRVNSX-ZUEVXXBESA-N 1 0 403.866 3.943 20 5 HHBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCCC34CC[NH+](C)CC4)cc2[N+](=O)[O-])C1 ZINC000509294062 1003688539 /nfs/dbraw/zinc/68/85/39/1003688539.db2.gz NFWLBYRKQCOHDB-ROUUACIJSA-N 1 0 414.550 3.778 20 5 HHBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000500407945 1003697936 /nfs/dbraw/zinc/69/79/36/1003697936.db2.gz MIMLRMSDDHMIGJ-OAQYLSRUSA-N 1 0 408.458 3.652 20 5 HHBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000500410709 1003699664 /nfs/dbraw/zinc/69/96/64/1003699664.db2.gz PVUJHXBVXCYYTJ-QFIPXVFZSA-N 1 0 422.485 3.581 20 5 HHBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000500416276 1003703224 /nfs/dbraw/zinc/70/32/24/1003703224.db2.gz USVRYCDEVHFHPT-OAQYLSRUSA-N 1 0 408.458 3.652 20 5 HHBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000500439471 1003719068 /nfs/dbraw/zinc/71/90/68/1003719068.db2.gz SXPUKBOXLJMHND-UHFFFAOYSA-N 1 0 422.407 3.997 20 5 HHBDRO C[C@H]([NH2+]C1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)CCOCC1)c1ccccc1 ZINC000500443609 1003722081 /nfs/dbraw/zinc/72/20/81/1003722081.db2.gz QCWSVHOLGSIDEM-INIZCTEOSA-N 1 0 422.485 3.706 20 5 HHBDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000511830823 1003802907 /nfs/dbraw/zinc/80/29/07/1003802907.db2.gz SPCHPHVZNRGDOC-LZLYRXPVSA-N 1 0 409.442 3.530 20 5 HHBDRO COc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000511831600 1003804852 /nfs/dbraw/zinc/80/48/52/1003804852.db2.gz ITXBRHAGCHGBAR-MRXNPFEDSA-N 1 0 423.391 3.627 20 5 HHBDRO Cc1nccn1-c1ccccc1CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000500683920 1003891830 /nfs/dbraw/zinc/89/18/30/1003891830.db2.gz XDYFFTKUNFODAT-UHFFFAOYSA-N 1 0 420.878 3.529 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cc2)C1 ZINC000500775538 1003949735 /nfs/dbraw/zinc/94/97/35/1003949735.db2.gz BDGYOISJDSDDIM-INIZCTEOSA-N 1 0 420.473 3.660 20 5 HHBDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000500861499 1004008836 /nfs/dbraw/zinc/00/88/36/1004008836.db2.gz VTANHEQSVQWFOR-UHFFFAOYSA-N 1 0 410.396 3.678 20 5 HHBDRO C[C@@H]1C[C@@H](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000509746105 1004068475 /nfs/dbraw/zinc/06/84/75/1004068475.db2.gz MUWVYMIYBGVGRF-UYAOXDASSA-N 1 0 410.518 3.737 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000500986921 1004097301 /nfs/dbraw/zinc/09/73/01/1004097301.db2.gz CPZHWFGEHYAARN-UHFFFAOYSA-N 1 0 412.309 3.623 20 5 HHBDRO O=[N+]([O-])c1cc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c2c(c1)COCO2 ZINC000512266290 1004167937 /nfs/dbraw/zinc/16/79/37/1004167937.db2.gz AUJMQZLWUVAMTB-HSZRJFAPSA-N 1 0 409.486 3.559 20 5 HHBDRO CC(C)(COc1ncccc1Br)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000501069320 1004171416 /nfs/dbraw/zinc/17/14/16/1004171416.db2.gz OVQKLIPXLYLLLP-UHFFFAOYSA-N 1 0 410.268 3.578 20 5 HHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512278566 1004179254 /nfs/dbraw/zinc/17/92/54/1004179254.db2.gz PWAGRHAGYHIFEZ-JPYJTQIMSA-N 1 0 408.502 3.520 20 5 HHBDRO COc1ccc(OCCN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000512280091 1004180952 /nfs/dbraw/zinc/18/09/52/1004180952.db2.gz UVOYCYUGUDPNLK-QHCPKHFHSA-N 1 0 411.502 3.580 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] ZINC000512293798 1004198056 /nfs/dbraw/zinc/19/80/56/1004198056.db2.gz UUJNQHLLSSGIDT-YADARESESA-N 1 0 422.529 3.828 20 5 HHBDRO COc1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512375723 1004256862 /nfs/dbraw/zinc/25/68/62/1004256862.db2.gz WYDLBOOYXAEORG-UHFFFAOYSA-N 1 0 423.473 3.611 20 5 HHBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000501215437 1004286073 /nfs/dbraw/zinc/28/60/73/1004286073.db2.gz YZLMHLUJRIPBPX-CZUORRHYSA-N 1 0 408.886 3.812 20 5 HHBDRO CCOC(=O)C(C)(C)C1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000510093502 1004318793 /nfs/dbraw/zinc/31/87/93/1004318793.db2.gz YZXGAROONOHQSV-UHFFFAOYSA-N 1 0 405.495 3.533 20 5 HHBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000510220126 1004404453 /nfs/dbraw/zinc/40/44/53/1004404453.db2.gz KLCISIYUJJBPAM-UHFFFAOYSA-N 1 0 407.474 3.741 20 5 HHBDRO C[NH+](C)CCCC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000501631246 1004564839 /nfs/dbraw/zinc/56/48/39/1004564839.db2.gz UJWYAQZZLHBYIX-UHFFFAOYSA-N 1 0 405.542 3.735 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000501644057 1004571825 /nfs/dbraw/zinc/57/18/25/1004571825.db2.gz DMRBLHZFFLLMLN-UHFFFAOYSA-N 1 0 409.552 3.527 20 5 HHBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000501649498 1004574897 /nfs/dbraw/zinc/57/48/97/1004574897.db2.gz LVTIBGKZKBMBHY-UHFFFAOYSA-N 1 0 403.479 3.552 20 5 HHBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510520978 1004647179 /nfs/dbraw/zinc/64/71/79/1004647179.db2.gz FNWCYJKHIPGUSQ-VGOFRKELSA-N 1 0 410.518 3.925 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H]2CCOC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512885333 1004648336 /nfs/dbraw/zinc/64/83/36/1004648336.db2.gz OGKSDUKIZISKEO-APWZRJJASA-N 1 0 400.475 3.945 20 5 HHBDRO COc1ccc(C[NH2+]C[C@@H]2CCOC[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512891701 1004658496 /nfs/dbraw/zinc/65/84/96/1004658496.db2.gz QVNLZIPJPABAOO-APWZRJJASA-N 1 0 400.475 3.945 20 5 HHBDRO COc1cc(C[NH2+]C[C@H]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000512893160 1004659944 /nfs/dbraw/zinc/65/99/44/1004659944.db2.gz APJURNLOENJOKH-FUHWJXTLSA-N 1 0 400.475 3.945 20 5 HHBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[NH+](C)C ZINC000510536537 1004669588 /nfs/dbraw/zinc/66/95/88/1004669588.db2.gz GISGZJKLBIKPRK-HRAATJIYSA-N 1 0 407.474 3.510 20 5 HHBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[NH+](C)C ZINC000510545227 1004678543 /nfs/dbraw/zinc/67/85/43/1004678543.db2.gz GNKJBYCKYSVRDL-ACJLOTCBSA-N 1 0 407.417 3.926 20 5 HHBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[NH+](C)C ZINC000510545230 1004678608 /nfs/dbraw/zinc/67/86/08/1004678608.db2.gz GNKJBYCKYSVRDL-UGSOOPFHSA-N 1 0 407.417 3.926 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000501770941 1004709269 /nfs/dbraw/zinc/70/92/69/1004709269.db2.gz REFZHRCVXIWDPX-IRXDYDNUSA-N 1 0 407.474 3.740 20 5 HHBDRO C[C@@H](O)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)Cc1ccc(Cl)cc1 ZINC000501859648 1004781932 /nfs/dbraw/zinc/78/19/32/1004781932.db2.gz DPUBZUOVMFRWRC-JKSUJKDBSA-N 1 0 419.909 3.891 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCc4cccc(Br)c4C3)nc2c1 ZINC000513272918 1004890089 /nfs/dbraw/zinc/89/00/89/1004890089.db2.gz UGDGZHKNBUNBIJ-GFCCVEGCSA-N 1 0 401.264 3.881 20 5 HHBDRO O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000510929530 1004938795 /nfs/dbraw/zinc/93/87/95/1004938795.db2.gz MMAIKWSHCOIYNS-VCOUNFBDSA-N 1 0 423.513 3.576 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@H+](CCO)CC1CC1 ZINC000510931123 1004939768 /nfs/dbraw/zinc/93/97/68/1004939768.db2.gz BWNQXLOFYRVKMJ-LJQANCHMSA-N 1 0 403.866 3.632 20 5 HHBDRO O=[N+]([O-])c1ccc(CC[N@H+](CCn2ccnc2)Cc2ccc(Br)o2)cc1 ZINC000510932790 1004940927 /nfs/dbraw/zinc/94/09/27/1004940927.db2.gz BUIXUIDOPOJSPV-UHFFFAOYSA-N 1 0 419.279 3.892 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)s1 ZINC000513415996 1004954543 /nfs/dbraw/zinc/95/45/43/1004954543.db2.gz LVOIBQWTRCKFMG-QGZVFWFLSA-N 1 0 401.532 3.868 20 5 HHBDRO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000510960889 1004954892 /nfs/dbraw/zinc/95/48/92/1004954892.db2.gz KZXKFGSZWGMZEJ-FCHUYYIVSA-N 1 0 407.514 3.739 20 5 HHBDRO COc1cc(NC(=O)CC[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(OC)cc1Cl ZINC000511123718 1005030812 /nfs/dbraw/zinc/03/08/12/1005030812.db2.gz QROOJGFDBZESGW-UHFFFAOYSA-N 1 0 421.881 3.769 20 5 HHBDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000511191851 1005067680 /nfs/dbraw/zinc/06/76/80/1005067680.db2.gz SCGHXEMRKPQKDN-UHFFFAOYSA-N 1 0 418.881 3.572 20 5 HHBDRO C[C@@H]1C[C@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000513660707 1005070970 /nfs/dbraw/zinc/07/09/70/1005070970.db2.gz JYGGBBSTUKQVSO-PIPMEXSNSA-N 1 0 405.502 3.670 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511288118 1005108810 /nfs/dbraw/zinc/10/88/10/1005108810.db2.gz PJIRLLBTJDLRLS-SOUVJXGZSA-N 1 0 409.914 3.785 20 5 HHBDRO C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511295930 1005112855 /nfs/dbraw/zinc/11/28/55/1005112855.db2.gz WXNKFEAMEKEMDG-CABCVRRESA-N 1 0 409.914 3.786 20 5 HHBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511369919 1005142752 /nfs/dbraw/zinc/14/27/52/1005142752.db2.gz QFAVKQDJJAPRTB-OLZOCXBDSA-N 1 0 410.312 3.740 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000513819067 1005143153 /nfs/dbraw/zinc/14/31/53/1005143153.db2.gz PGAKGXRGRDCDNP-UHFFFAOYSA-N 1 0 413.543 3.917 20 5 HHBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000502625852 1005147415 /nfs/dbraw/zinc/14/74/15/1005147415.db2.gz MWJKWIMHSKVYSD-QZTJIDSGSA-N 1 0 416.566 3.927 20 5 HHBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)c2C1 ZINC000511414560 1005166313 /nfs/dbraw/zinc/16/63/13/1005166313.db2.gz OLUOOXIOGOMWJG-UHFFFAOYSA-N 1 0 415.515 3.903 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000502908585 1005269902 /nfs/dbraw/zinc/26/99/02/1005269902.db2.gz GGEXKQMZBRYJSY-ICSRJNTNSA-N 1 0 414.550 3.922 20 5 HHBDRO CC(C)[C@@H](C)NC(=O)C1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000502912721 1005271525 /nfs/dbraw/zinc/27/15/25/1005271525.db2.gz SMERLUYNXFQDDO-CABCVRRESA-N 1 0 415.494 3.579 20 5 HHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000511715131 1005289288 /nfs/dbraw/zinc/28/92/88/1005289288.db2.gz KQSRHKOMTPMTGO-NRFANRHFSA-N 1 0 410.518 3.814 20 5 HHBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)cc21 ZINC000514180808 1005300934 /nfs/dbraw/zinc/30/09/34/1005300934.db2.gz XRVNITZSPCLXOG-UHFFFAOYSA-N 1 0 418.400 3.965 20 5 HHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000514186196 1005303461 /nfs/dbraw/zinc/30/34/61/1005303461.db2.gz OFIJQWFJNOKAFA-QFIPXVFZSA-N 1 0 408.502 3.753 20 5 HHBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000514220837 1005319749 /nfs/dbraw/zinc/31/97/49/1005319749.db2.gz CBNXAOGDVYREKR-UHFFFAOYSA-N 1 0 410.396 3.517 20 5 HHBDRO CCCOc1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])cc1OCCC ZINC000503698124 1005482581 /nfs/dbraw/zinc/48/25/81/1005482581.db2.gz HQSRMLQFLDYVJY-DOTOQJQBSA-N 1 0 420.510 3.921 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000503855547 1005500955 /nfs/dbraw/zinc/50/09/55/1005500955.db2.gz LAKXDVJFXQQUSS-RDJZCZTQSA-N 1 0 415.515 3.695 20 5 HHBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@H]3C)cc2)CC1 ZINC000504275407 1005587870 /nfs/dbraw/zinc/58/78/70/1005587870.db2.gz WHFXPIZEICKCMO-QGZVFWFLSA-N 1 0 408.502 3.717 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000534017390 1005987457 /nfs/dbraw/zinc/98/74/57/1005987457.db2.gz HCYWYUHWPRMMAZ-SJLPKXTDSA-N 1 0 423.391 3.711 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000534017392 1005987650 /nfs/dbraw/zinc/98/76/50/1005987650.db2.gz HCYWYUHWPRMMAZ-WMZOPIPTSA-N 1 0 423.391 3.711 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000534017316 1005987766 /nfs/dbraw/zinc/98/77/66/1005987766.db2.gz GDBAIKDHHWACQI-IYJAJMOOSA-N 1 0 403.866 3.577 20 5 HHBDRO CCOc1cc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1OCC ZINC000514543195 1006029576 /nfs/dbraw/zinc/02/95/76/1006029576.db2.gz STGBEFBDSCUMSU-GOSISDBHSA-N 1 0 416.478 3.817 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+]CC3(CS(C)(=O)=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000531206104 1006046615 /nfs/dbraw/zinc/04/66/15/1006046615.db2.gz LDPDPDPDFTWIPB-UHFFFAOYSA-N 1 0 420.556 3.969 20 5 HHBDRO C[NH+](C)Cc1ccc(-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 ZINC000531348278 1006140266 /nfs/dbraw/zinc/14/02/66/1006140266.db2.gz YKQIJKRZFNONKV-UHFFFAOYSA-N 1 0 402.838 3.981 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000514820183 1006151868 /nfs/dbraw/zinc/15/18/68/1006151868.db2.gz PQLGBEUVUCRNCN-GOSISDBHSA-N 1 0 414.469 3.818 20 5 HHBDRO C[NH+](C)Cc1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000534262642 1006271148 /nfs/dbraw/zinc/27/11/48/1006271148.db2.gz OVTPGNWDIGMGON-UHFFFAOYSA-N 1 0 414.462 3.849 20 5 HHBDRO O=C(NCC(F)(F)F)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000534342314 1006308394 /nfs/dbraw/zinc/30/83/94/1006308394.db2.gz QSQDFDJCBRHLBS-UHFFFAOYSA-N 1 0 411.380 3.745 20 5 HHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000515189477 1006330906 /nfs/dbraw/zinc/33/09/06/1006330906.db2.gz NADZBWQAZDSUCI-ANQUJSFKSA-N 1 0 408.930 3.912 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1[N+](=O)[O-] ZINC000531694818 1006358347 /nfs/dbraw/zinc/35/83/47/1006358347.db2.gz MRQACGOOHZMQFG-INIZCTEOSA-N 1 0 405.520 3.582 20 5 HHBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000515365388 1006421279 /nfs/dbraw/zinc/42/12/79/1006421279.db2.gz WSSPDGBNHQODIT-UHFFFAOYSA-N 1 0 408.502 3.907 20 5 HHBDRO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccc(Br)cc1 ZINC000534513224 1006509418 /nfs/dbraw/zinc/50/94/18/1006509418.db2.gz MJEBITZLQPJMDJ-UHFFFAOYSA-N 1 0 404.264 3.744 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000534520525 1006516349 /nfs/dbraw/zinc/51/63/49/1006516349.db2.gz DGCCJGDIMQLCHK-GHTZIAJQSA-N 1 0 424.545 3.734 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000534520451 1006516633 /nfs/dbraw/zinc/51/66/33/1006516633.db2.gz POYRPWKQIHFGFL-NRFANRHFSA-N 1 0 424.545 3.734 20 5 HHBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000531915847 1006517305 /nfs/dbraw/zinc/51/73/05/1006517305.db2.gz TUBQEOAHTFJBRC-IAGOWNOFSA-N 1 0 400.422 3.984 20 5 HHBDRO O=C(c1cc(NC2CC[NH+](CCc3ccccc3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000515607181 1006558217 /nfs/dbraw/zinc/55/82/17/1006558217.db2.gz DOULSBSGSLERDW-UHFFFAOYSA-N 1 0 422.529 3.950 20 5 HHBDRO COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000515624128 1006563698 /nfs/dbraw/zinc/56/36/98/1006563698.db2.gz CSDBIZMMCAGFOQ-UONOGXRCSA-N 1 0 414.384 3.972 20 5 HHBDRO C[C@H]1C[C@@H](CCNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[N@@H+]1Cc1ccccc1 ZINC000534573507 1006563694 /nfs/dbraw/zinc/56/36/94/1006563694.db2.gz NWONUPPNVZRJGV-AZUAARDMSA-N 1 0 422.529 3.963 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]3Cn3cnc4ccccc43)n2)cc1 ZINC000534581207 1006569153 /nfs/dbraw/zinc/56/91/53/1006569153.db2.gz BEHFFMXVWSCFMS-KRWDZBQOSA-N 1 0 404.430 3.659 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000515733504 1006628886 /nfs/dbraw/zinc/62/88/86/1006628886.db2.gz WRVKLKRTIIMGAS-OAHLLOKOSA-N 1 0 421.494 3.587 20 5 HHBDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000532119503 1006651754 /nfs/dbraw/zinc/65/17/54/1006651754.db2.gz OUQYVQFTVGLKHP-INIZCTEOSA-N 1 0 418.881 3.934 20 5 HHBDRO Cn1cc(C[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538427154 1006693219 /nfs/dbraw/zinc/69/32/19/1006693219.db2.gz ZHMUAUFVSSOSNV-OAQYLSRUSA-N 1 0 408.502 3.887 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2)C[C@@H](C)O1 ZINC000515826423 1006703258 /nfs/dbraw/zinc/70/32/58/1006703258.db2.gz MWHQWSUDHKHFIG-HZPDHXFCSA-N 1 0 422.485 3.615 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)s1 ZINC000532322017 1006793650 /nfs/dbraw/zinc/79/36/50/1006793650.db2.gz OZWNJQBPCBLKFF-UHFFFAOYSA-N 1 0 414.508 3.943 20 5 HHBDRO COc1cc(C[NH2+]C[C@](C)(O)C(F)(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000534828699 1006839693 /nfs/dbraw/zinc/83/96/93/1006839693.db2.gz KFPQLLWAQCWTEX-SFHVURJKSA-N 1 0 414.380 3.585 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+][C@@H](C)CCS(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000532394789 1006842716 /nfs/dbraw/zinc/84/27/16/1006842716.db2.gz SFBPABHNCZAEJV-HNNXBMFYSA-N 1 0 408.545 3.967 20 5 HHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000538590639 1006858123 /nfs/dbraw/zinc/85/81/23/1006858123.db2.gz NXGWYGMKACPPTQ-KRWDZBQOSA-N 1 0 409.552 3.574 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000532537393 1006972191 /nfs/dbraw/zinc/97/21/91/1006972191.db2.gz HMKHRYFMJQKMOT-QZTJIDSGSA-N 1 0 418.538 3.518 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534959603 1007006237 /nfs/dbraw/zinc/00/62/37/1007006237.db2.gz CCRFCZRUMFUHOS-VLIAUNLRSA-N 1 0 421.856 3.575 20 5 HHBDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(-c3ccc(OC)cc3[N+](=O)[O-])o1)CC2 ZINC000538737273 1007020026 /nfs/dbraw/zinc/02/00/26/1007020026.db2.gz SPIXWJWXSQMFIA-RTWAWAEBSA-N 1 0 416.474 3.615 20 5 HHBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C3CC3)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000538751329 1007035523 /nfs/dbraw/zinc/03/55/23/1007035523.db2.gz DVLXDISPAKLPLF-LJQANCHMSA-N 1 0 414.506 3.809 20 5 HHBDRO COc1ccc(CC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000532635140 1007055443 /nfs/dbraw/zinc/05/54/43/1007055443.db2.gz XIENYGHJMPRMGD-UHFFFAOYSA-N 1 0 413.474 3.649 20 5 HHBDRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000532675093 1007088746 /nfs/dbraw/zinc/08/87/46/1007088746.db2.gz RXRZUUKDGWNUPR-UHFFFAOYSA-N 1 0 416.485 3.801 20 5 HHBDRO COc1ccc(C[NH+]2CCC(CCO)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535068929 1007089819 /nfs/dbraw/zinc/08/98/19/1007089819.db2.gz FIDCCKMWRLRUTM-UHFFFAOYSA-N 1 0 400.475 3.777 20 5 HHBDRO COc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535083396 1007098451 /nfs/dbraw/zinc/09/84/51/1007098451.db2.gz BCWDCUYMVLKVCF-OAQYLSRUSA-N 1 0 411.502 3.853 20 5 HHBDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000538850008 1007123286 /nfs/dbraw/zinc/12/32/86/1007123286.db2.gz HHTHGEIWYBLSQD-UHFFFAOYSA-N 1 0 423.579 3.734 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(c4c[nH]c5ncccc45)CC3)o2)cc1 ZINC000532710716 1007124324 /nfs/dbraw/zinc/12/43/24/1007124324.db2.gz ZVQLIBQWDAKYHJ-UHFFFAOYSA-N 1 0 404.430 3.901 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)cc2[N+](=O)[O-])CC1 ZINC000535149910 1007190021 /nfs/dbraw/zinc/19/00/21/1007190021.db2.gz VBJQKEUMCUWSCS-FQEVSTJZSA-N 1 0 414.550 3.635 20 5 HHBDRO Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000532866564 1007254191 /nfs/dbraw/zinc/25/41/91/1007254191.db2.gz WIYKMHTXRAXBTL-UHFFFAOYSA-N 1 0 420.448 3.881 20 5 HHBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000532930612 1007304880 /nfs/dbraw/zinc/30/48/80/1007304880.db2.gz FMPYGGQVRLJIFD-UHFFFAOYSA-N 1 0 422.279 3.827 20 5 HHBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000516917634 1007342627 /nfs/dbraw/zinc/34/26/27/1007342627.db2.gz UMSAKTVOSMRIOD-UHFFFAOYSA-N 1 0 417.428 3.577 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000532974781 1007343577 /nfs/dbraw/zinc/34/35/77/1007343577.db2.gz AOXQEGNJIFBCAL-UHFFFAOYSA-N 1 0 411.502 3.956 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000539050939 1007348357 /nfs/dbraw/zinc/34/83/57/1007348357.db2.gz UKNHQWGEICJBBM-QWHCGFSZSA-N 1 0 405.442 3.608 20 5 HHBDRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1OC ZINC000539072780 1007364262 /nfs/dbraw/zinc/36/42/62/1007364262.db2.gz SWEBDDYPGNIFAN-HNNXBMFYSA-N 1 0 413.474 3.567 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000539086109 1007374211 /nfs/dbraw/zinc/37/42/11/1007374211.db2.gz CPSNZHIPQCEQIH-HXUWFJFHSA-N 1 0 424.545 3.635 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539091643 1007381212 /nfs/dbraw/zinc/38/12/12/1007381212.db2.gz IKYWZEHBJSRUHG-JLCFBVMHSA-N 1 0 411.458 3.824 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1)CC(C)C ZINC000539134989 1007430613 /nfs/dbraw/zinc/43/06/13/1007430613.db2.gz MAYNYUBSVQOXSZ-UHFFFAOYSA-N 1 0 401.511 3.691 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCC1 ZINC000535371289 1007432021 /nfs/dbraw/zinc/43/20/21/1007432021.db2.gz RVFKGLAKPZDADN-NRFANRHFSA-N 1 0 422.485 3.581 20 5 HHBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000533120577 1007465045 /nfs/dbraw/zinc/46/50/45/1007465045.db2.gz YDDTZRKGDFIRGN-UHFFFAOYSA-N 1 0 422.279 3.988 20 5 HHBDRO C[C@H](NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000517185634 1007491189 /nfs/dbraw/zinc/49/11/89/1007491189.db2.gz SSTSPWUNRZERGV-SJORKVTESA-N 1 0 424.501 3.643 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000539219772 1007510509 /nfs/dbraw/zinc/51/05/09/1007510509.db2.gz QSHAJAYRDMHROF-NEPJUHHUSA-N 1 0 409.389 3.883 20 5 HHBDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1OC ZINC000539224838 1007516983 /nfs/dbraw/zinc/51/69/83/1007516983.db2.gz IWRAHYYQGOZGCI-NSHDSACASA-N 1 0 423.853 3.563 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000535461710 1007525109 /nfs/dbraw/zinc/52/51/09/1007525109.db2.gz AOAFYFATMSADMD-DLBZAZTESA-N 1 0 404.264 3.533 20 5 HHBDRO COc1ccc(-c2ccc(CNc3cc(C(N)=O)ccc3C[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000533220011 1007544332 /nfs/dbraw/zinc/54/43/32/1007544332.db2.gz YUJHAXKHJZLELM-UHFFFAOYSA-N 1 0 424.457 3.636 20 5 HHBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccc(OC(F)F)cc1 ZINC000533220582 1007544871 /nfs/dbraw/zinc/54/48/71/1007544871.db2.gz VEJQEXKNQQNYHQ-UHFFFAOYSA-N 1 0 407.373 3.626 20 5 HHBDRO CCCOc1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000539254742 1007548641 /nfs/dbraw/zinc/54/86/41/1007548641.db2.gz RMUZVDZRMYLUFB-OAHLLOKOSA-N 1 0 413.474 3.632 20 5 HHBDRO CC(C)C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000539261523 1007556699 /nfs/dbraw/zinc/55/66/99/1007556699.db2.gz RDIVGDQLBQMCKB-IRXDYDNUSA-N 1 0 400.401 3.548 20 5 HHBDRO COc1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535532734 1007579476 /nfs/dbraw/zinc/57/94/76/1007579476.db2.gz KKDSFBSKAYQKKV-GOSISDBHSA-N 1 0 414.380 3.585 20 5 HHBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539296173 1007594459 /nfs/dbraw/zinc/59/44/59/1007594459.db2.gz ZVYZRRWYVOPFPL-JJRVBVJISA-N 1 0 403.504 3.610 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)c([N+](=O)[O-])c1 ZINC000539297309 1007594781 /nfs/dbraw/zinc/59/47/81/1007594781.db2.gz QQGIURULZNLFCT-KBPBESRZSA-N 1 0 417.462 3.607 20 5 HHBDRO C[NH+](C)C1CN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 ZINC000539319217 1007618034 /nfs/dbraw/zinc/61/80/34/1007618034.db2.gz SKXGKLDDRBVSGT-LFIBNONCSA-N 1 0 422.510 3.908 20 5 HHBDRO CCNC(=O)C(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000533307318 1007624142 /nfs/dbraw/zinc/62/41/42/1007624142.db2.gz ULIUFQDNKORYPJ-UHFFFAOYSA-N 1 0 424.295 3.869 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000539382673 1007687777 /nfs/dbraw/zinc/68/77/77/1007687777.db2.gz QDOXGPYRDJWTEX-XJKSGUPXSA-N 1 0 409.280 3.756 20 5 HHBDRO Cc1nc2c(s1)[C@H]([N@H+](C)CCCn1c(=O)oc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000533386635 1007698403 /nfs/dbraw/zinc/69/84/03/1007698403.db2.gz LAKOWCBHFKOKSB-OAHLLOKOSA-N 1 0 402.476 3.667 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cccc1[N+](=O)[O-] ZINC000533407755 1007717169 /nfs/dbraw/zinc/71/71/69/1007717169.db2.gz CKPBQKXLQFREOQ-OALUTQOASA-N 1 0 402.539 3.818 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000539412848 1007719992 /nfs/dbraw/zinc/71/99/92/1007719992.db2.gz XOYQSDSJWGTFLH-JKTFDMFLSA-N 1 0 401.894 3.925 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000539515646 1007825743 /nfs/dbraw/zinc/82/57/43/1007825743.db2.gz QYRDGBCAOIICEK-HSZRJFAPSA-N 1 0 407.470 3.581 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)cc1OC ZINC000517619526 1007826627 /nfs/dbraw/zinc/82/66/27/1007826627.db2.gz AXVVVMIIHXGZID-UHFFFAOYSA-N 1 0 419.522 3.873 20 5 HHBDRO CCOc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000517622680 1007830626 /nfs/dbraw/zinc/83/06/26/1007830626.db2.gz KKUSGQNDAPOYND-KRWDZBQOSA-N 1 0 419.522 3.777 20 5 HHBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccco1 ZINC000517647623 1007858705 /nfs/dbraw/zinc/85/87/05/1007858705.db2.gz LBNBSFPIXQKSCW-IBGZPJMESA-N 1 0 400.479 3.919 20 5 HHBDRO Cn1cc(C[NH2+]CCOc2cccc(C(F)(F)F)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539563285 1007878582 /nfs/dbraw/zinc/87/85/82/1007878582.db2.gz CLMOPOFWHHPDHI-UHFFFAOYSA-N 1 0 421.379 3.578 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000539599017 1007919373 /nfs/dbraw/zinc/91/93/73/1007919373.db2.gz FMVQGAGZWISVQN-KRWDZBQOSA-N 1 0 417.531 3.954 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)cc2[N+](=O)[O-])C1 ZINC000535986513 1008025308 /nfs/dbraw/zinc/02/53/08/1008025308.db2.gz PGSKZYLABPGHOA-FXAWDEMLSA-N 1 0 414.550 3.635 20 5 HHBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000517894730 1008042362 /nfs/dbraw/zinc/04/23/62/1008042362.db2.gz PEQYYGVYSQVXKB-IBGZPJMESA-N 1 0 402.882 3.613 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000536037415 1008070239 /nfs/dbraw/zinc/07/02/39/1008070239.db2.gz ZOUYTXXTYSAPBF-KRWDZBQOSA-N 1 0 401.438 3.566 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]3Cn3cnc4ccccc43)n2)c1 ZINC000536068274 1008096658 /nfs/dbraw/zinc/09/66/58/1008096658.db2.gz YYWDSFNWOLVIKL-KRWDZBQOSA-N 1 0 404.430 3.659 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NC[C@H](C)C[NH+]3CCCC3)cc2[N+](=O)[O-])n1 ZINC000518356519 1008274982 /nfs/dbraw/zinc/27/49/82/1008274982.db2.gz MNDUZWTWCJXDQW-ZDUSSCGKSA-N 1 0 420.560 3.973 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000540143670 1008310434 /nfs/dbraw/zinc/31/04/34/1008310434.db2.gz HCHCNKYZBRNGAF-LKNMKHRSSA-N 1 0 419.428 3.894 20 5 HHBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000540160357 1008316435 /nfs/dbraw/zinc/31/64/35/1008316435.db2.gz CQHSKGAHBDNTGL-VFCRVFHLSA-N 1 0 401.463 3.686 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000540175725 1008323122 /nfs/dbraw/zinc/32/31/22/1008323122.db2.gz WJFRJLZUGIBPPQ-MRXNPFEDSA-N 1 0 405.520 3.785 20 5 HHBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000540176446 1008323495 /nfs/dbraw/zinc/32/34/95/1008323495.db2.gz RAFFNQCOPKOJPX-NSHDSACASA-N 1 0 418.302 3.531 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1)CC(C)C ZINC000540234012 1008346928 /nfs/dbraw/zinc/34/69/28/1008346928.db2.gz DTCHKXCOLRNYOK-UHFFFAOYSA-N 1 0 405.495 3.544 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000518615302 1008366174 /nfs/dbraw/zinc/36/61/74/1008366174.db2.gz FEISBPMUTLNQFP-YOEHRIQHSA-N 1 0 423.267 3.642 20 5 HHBDRO COc1ccc(S(=O)(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000540335496 1008385854 /nfs/dbraw/zinc/38/58/54/1008385854.db2.gz GBPLJCCKGCKNAH-OAHLLOKOSA-N 1 0 419.503 3.636 20 5 HHBDRO CCCOc1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1OC ZINC000540353251 1008395303 /nfs/dbraw/zinc/39/53/03/1008395303.db2.gz WZMNSKAVQOLCJR-OAHLLOKOSA-N 1 0 413.474 3.632 20 5 HHBDRO COc1cc(F)c([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000540388455 1008412083 /nfs/dbraw/zinc/41/20/83/1008412083.db2.gz QCADUTFSAKKEDZ-ZDUSSCGKSA-N 1 0 405.426 3.739 20 5 HHBDRO C[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000540391411 1008413288 /nfs/dbraw/zinc/41/32/88/1008413288.db2.gz FRITWLUJZCJRBP-INIZCTEOSA-N 1 0 406.552 3.707 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCN3CCN(c4ccccc4)CC3)o2)c1 ZINC000518770648 1008417026 /nfs/dbraw/zinc/41/70/26/1008417026.db2.gz VTZXZKGHPLKAOO-UHFFFAOYSA-N 1 0 406.486 3.767 20 5 HHBDRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC1)c1ccccc1 ZINC000518844668 1008442385 /nfs/dbraw/zinc/44/23/85/1008442385.db2.gz HIVYYNQXJZNZHK-AWEZNQCLSA-N 1 0 409.533 3.598 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000540471132 1008444800 /nfs/dbraw/zinc/44/48/00/1008444800.db2.gz DTHYIYHIKDGFRG-UHFFFAOYSA-N 1 0 417.531 3.966 20 5 HHBDRO C[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000542968786 1008542494 /nfs/dbraw/zinc/54/24/94/1008542494.db2.gz CHPNVKKJQSUHOJ-SOZNTENNSA-N 1 0 409.895 3.663 20 5 HHBDRO CCOc1cccc(N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000545872443 1008961656 /nfs/dbraw/zinc/96/16/56/1008961656.db2.gz JHNUHQDNURFXJX-UHFFFAOYSA-N 1 0 404.555 3.626 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](CCCN1CCOCC1)Cc1ccncc1 ZINC000519724743 1008978974 /nfs/dbraw/zinc/97/89/74/1008978974.db2.gz PKYLFTRRKZJPSE-CAPFRKAQSA-N 1 0 410.518 3.618 20 5 HHBDRO CCc1ccc([C@@H]([NH2+]CCCNC(=O)c2cccc(O)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543401878 1008994215 /nfs/dbraw/zinc/99/42/15/1008994215.db2.gz XBMKETDYDHQPFC-QFIPXVFZSA-N 1 0 423.469 3.955 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1 ZINC000543411160 1009004727 /nfs/dbraw/zinc/00/47/27/1009004727.db2.gz IVWRYGPMZXDYEZ-MTNREXPMSA-N 1 0 404.470 3.650 20 5 HHBDRO COc1cc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c([N+](=O)[O-])cc1OC ZINC000543411713 1009005950 /nfs/dbraw/zinc/00/59/50/1009005950.db2.gz QUKLAJSSKZAGQD-UHFFFAOYSA-N 1 0 416.409 3.524 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c(Cl)c1 ZINC000543415020 1009007698 /nfs/dbraw/zinc/00/76/98/1009007698.db2.gz WEBGCEILTJVBJP-HNNXBMFYSA-N 1 0 401.829 3.750 20 5 HHBDRO Cc1c(Br)c(NC2CC[NH+](Cc3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000543449437 1009034846 /nfs/dbraw/zinc/03/48/46/1009034846.db2.gz LRRZZPKIVSVOES-UHFFFAOYSA-N 1 0 406.284 3.532 20 5 HHBDRO COC(=O)C[C@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000543461315 1009048311 /nfs/dbraw/zinc/04/83/11/1009048311.db2.gz YPRDQWGIRRKANA-GUYCJALGSA-N 1 0 402.451 3.807 20 5 HHBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000543561706 1009168521 /nfs/dbraw/zinc/16/85/21/1009168521.db2.gz VOMKZDGIPUUNPH-LRDDRELGSA-N 1 0 406.895 3.885 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000543590483 1009196979 /nfs/dbraw/zinc/19/69/79/1009196979.db2.gz YVGVXYIZIPZRGF-LPHOPBHVSA-N 1 0 414.481 3.746 20 5 HHBDRO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543595048 1009199730 /nfs/dbraw/zinc/19/97/30/1009199730.db2.gz RJSQFUIINVWTMJ-FQEVSTJZSA-N 1 0 418.515 3.995 20 5 HHBDRO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543595058 1009199934 /nfs/dbraw/zinc/19/99/34/1009199934.db2.gz RJSQFUIINVWTMJ-HXUWFJFHSA-N 1 0 418.515 3.995 20 5 HHBDRO COc1cc(-c2noc(-c3cc(Cl)cc([N+](=O)[O-])c3)n2)ccc1OCC[NH+](C)C ZINC000546276591 1009299005 /nfs/dbraw/zinc/29/90/05/1009299005.db2.gz KFIKLGNHLQZTAS-UHFFFAOYSA-N 1 0 418.837 3.914 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCn3cc(Br)cn3)o2)cc1 ZINC000520279943 1009397261 /nfs/dbraw/zinc/39/72/61/1009397261.db2.gz DLYQUKXUXLWNPL-UHFFFAOYSA-N 1 0 405.252 3.994 20 5 HHBDRO CC[NH+]1CCN(c2ccc(-c3noc(-c4cc(Cl)cc([N+](=O)[O-])c4)n3)cn2)CC1 ZINC000546399194 1009412163 /nfs/dbraw/zinc/41/21/63/1009412163.db2.gz HAPQDVLEXRQWDY-UHFFFAOYSA-N 1 0 414.853 3.502 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000549902250 1009522800 /nfs/dbraw/zinc/52/28/00/1009522800.db2.gz POBZLOMAKRPMBZ-LBPRGKRZSA-N 1 0 417.828 3.862 20 5 HHBDRO COc1ccc(C[NH2+]CCN2CC=C(C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000546565049 1009587715 /nfs/dbraw/zinc/58/77/15/1009587715.db2.gz KRRQHBJUKPPHDK-UHFFFAOYSA-N 1 0 411.502 3.924 20 5 HHBDRO CC[NH+](CC)CCN(C(=O)c1cc([N+](=O)[O-])cn1C)c1cccc(C(F)(F)F)c1 ZINC000546599214 1009621252 /nfs/dbraw/zinc/62/12/52/1009621252.db2.gz WIFJMRAPELLAPT-UHFFFAOYSA-N 1 0 412.412 3.941 20 5 HHBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000520639468 1009714151 /nfs/dbraw/zinc/71/41/51/1009714151.db2.gz XUXZHBJAUCKPJA-INIZCTEOSA-N 1 0 411.506 3.719 20 5 HHBDRO CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546889799 1009850326 /nfs/dbraw/zinc/85/03/26/1009850326.db2.gz RGFUJIVGGLIYOF-FQEVSTJZSA-N 1 0 406.486 3.742 20 5 HHBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000544272689 1009888111 /nfs/dbraw/zinc/88/81/11/1009888111.db2.gz JSIVEHFWPRWAMI-CJNGLKHVSA-N 1 0 409.939 3.816 20 5 HHBDRO C[C@@H](CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000544336254 1009960251 /nfs/dbraw/zinc/96/02/51/1009960251.db2.gz IRAFZEYKMHGQMO-ZDUSSCGKSA-N 1 0 403.401 3.530 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000550646866 1010080575 /nfs/dbraw/zinc/08/05/75/1010080575.db2.gz DLWOCBJQORSTIY-UHFFFAOYSA-N 1 0 406.280 3.874 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000550647261 1010080699 /nfs/dbraw/zinc/08/06/99/1010080699.db2.gz JBPFENGHLBRJLT-UHFFFAOYSA-N 1 0 406.280 3.657 20 5 HHBDRO Cc1sc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)nc1-c1ccc(Cl)cc1 ZINC000544471619 1010095341 /nfs/dbraw/zinc/09/53/41/1010095341.db2.gz XAGFWMMNQYTBCN-ZBEGNZNMSA-N 1 0 421.910 3.588 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000550711009 1010118905 /nfs/dbraw/zinc/11/89/05/1010118905.db2.gz OSAZJMHPIUHXOQ-TZIWHRDSSA-N 1 0 418.444 3.545 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000550711008 1010119393 /nfs/dbraw/zinc/11/93/93/1010119393.db2.gz OSAZJMHPIUHXOQ-PZJWPPBQSA-N 1 0 418.444 3.545 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000544575392 1010204306 /nfs/dbraw/zinc/20/43/06/1010204306.db2.gz GWZONNFNEQMBLE-WIYYLYMNSA-N 1 0 418.515 3.787 20 5 HHBDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000547364622 1010270992 /nfs/dbraw/zinc/27/09/92/1010270992.db2.gz AAKGYBMCUQLBSU-DYESRHJHSA-N 1 0 421.497 3.972 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000521360137 1010331979 /nfs/dbraw/zinc/33/19/79/1010331979.db2.gz ZRZHWGITFWKFIV-GOSISDBHSA-N 1 0 422.485 3.532 20 5 HHBDRO CCOC(=O)c1cc(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000521450910 1010380917 /nfs/dbraw/zinc/38/09/17/1010380917.db2.gz OCPOBKBRKLKBDG-OAHLLOKOSA-N 1 0 413.474 3.631 20 5 HHBDRO Cn1ccnc1C(=O)c1ccc(NCc2cccc(C[NH+]3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000521496806 1010413148 /nfs/dbraw/zinc/41/31/48/1010413148.db2.gz AKOYMDJNDJCFKJ-UHFFFAOYSA-N 1 0 419.485 3.767 20 5 HHBDRO COc1ccc(CSCC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000521499578 1010414894 /nfs/dbraw/zinc/41/48/94/1010414894.db2.gz YCYUECFCIXAYDD-LJQANCHMSA-N 1 0 417.531 3.564 20 5 HHBDRO CCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544873926 1010454749 /nfs/dbraw/zinc/45/47/49/1010454749.db2.gz UBRGOIOHQAVVBT-GOSISDBHSA-N 1 0 420.469 3.585 20 5 HHBDRO C[C@@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000521582159 1010479582 /nfs/dbraw/zinc/47/95/82/1010479582.db2.gz KLPRGMZDBTZUEX-OAHLLOKOSA-N 1 0 417.893 3.913 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000551326365 1010516953 /nfs/dbraw/zinc/51/69/53/1010516953.db2.gz ZKDRIGFQJAPRES-HNNXBMFYSA-N 1 0 421.494 3.587 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000548094935 1010528555 /nfs/dbraw/zinc/52/85/55/1010528555.db2.gz LGHAGPVGKUHKCG-UHFFFAOYSA-N 1 0 402.539 3.681 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000548395123 1010612691 /nfs/dbraw/zinc/61/26/91/1010612691.db2.gz OXMGSNRMUWHDCW-ZDUSSCGKSA-N 1 0 406.280 3.907 20 5 HHBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000545345036 1010740813 /nfs/dbraw/zinc/74/08/13/1010740813.db2.gz RJRUQCGVOUGSDG-HXUWFJFHSA-N 1 0 422.529 3.932 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1SC ZINC000522348249 1010946593 /nfs/dbraw/zinc/94/65/93/1010946593.db2.gz CUWDSPICAWIWJF-UHFFFAOYSA-N 1 0 407.536 3.662 20 5 HHBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000522810610 1011243320 /nfs/dbraw/zinc/24/33/20/1011243320.db2.gz RHAUSMAUMJXUGE-KURKYZTESA-N 1 0 402.539 3.537 20 5 HHBDRO CN(C(=O)C[NH2+][C@@H](COc1ccccc1F)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000540590798 1011247480 /nfs/dbraw/zinc/24/74/80/1011247480.db2.gz TULSENOIPZZIKT-IBGZPJMESA-N 1 0 403.454 3.780 20 5 HHBDRO C[C@H]1C[NH+](CC2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)C[C@H](C)O1 ZINC000536366858 1011574799 /nfs/dbraw/zinc/57/47/99/1011574799.db2.gz BBRDMLRSDJRALX-IRXDYDNUSA-N 1 0 414.506 3.571 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)ccc1Oc1ccc(F)cc1 ZINC000536397367 1011604499 /nfs/dbraw/zinc/60/44/99/1011604499.db2.gz WPZPNNMUOFUOAI-UWJYYQICSA-N 1 0 402.422 3.954 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000540998527 1011633773 /nfs/dbraw/zinc/63/37/73/1011633773.db2.gz WQZVJXQHVKLNHY-YOEHRIQHSA-N 1 0 419.428 3.979 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)cc2[N+](=O)[O-])CC1 ZINC000523164834 1011648369 /nfs/dbraw/zinc/64/83/69/1011648369.db2.gz DCHDFOLGUWZWNL-FQEVSTJZSA-N 1 0 414.550 3.922 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000541022659 1011656733 /nfs/dbraw/zinc/65/67/33/1011656733.db2.gz BMSFVVJKOWWSSJ-HNNXBMFYSA-N 1 0 423.473 3.777 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000523284743 1011764547 /nfs/dbraw/zinc/76/45/47/1011764547.db2.gz BXAZQPDFXHRDBG-IEBWSBKVSA-N 1 0 400.523 3.532 20 5 HHBDRO COc1cc(CN2CC[C@H]([NH+]3CCCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000536653315 1011801519 /nfs/dbraw/zinc/80/15/19/1011801519.db2.gz IMHYJDFOOFEMLD-NRFANRHFSA-N 1 0 411.502 3.853 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000541281147 1011974235 /nfs/dbraw/zinc/97/42/35/1011974235.db2.gz DMSNZAGYZROXDY-KRWDZBQOSA-N 1 0 411.433 3.744 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000536772918 1011978526 /nfs/dbraw/zinc/97/85/26/1011978526.db2.gz UMRNIDJSPRXHNP-AWEZNQCLSA-N 1 0 412.421 3.938 20 5 HHBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000523493539 1012013097 /nfs/dbraw/zinc/01/30/97/1012013097.db2.gz JLZSPYQNAUWBAT-HNNXBMFYSA-N 1 0 416.275 3.982 20 5 HHBDRO C[NH+](C)C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000552025880 1012052179 /nfs/dbraw/zinc/05/21/79/1012052179.db2.gz PAFOCSOCZAJSFI-INIZCTEOSA-N 1 0 404.898 3.512 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000552061780 1012079270 /nfs/dbraw/zinc/07/92/70/1012079270.db2.gz ZZNJRTLMUBTSCS-JTSKRJEESA-N 1 0 420.517 3.628 20 5 HHBDRO Cn1ccnc1[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccc([N+](=O)[O-])cc1 ZINC000552067142 1012084791 /nfs/dbraw/zinc/08/47/91/1012084791.db2.gz ACTSLAAPTIYNQY-NRFANRHFSA-N 1 0 407.449 3.881 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000541396027 1012121300 /nfs/dbraw/zinc/12/13/00/1012121300.db2.gz HFFXEJWDUJLZNE-MRXNPFEDSA-N 1 0 411.886 3.899 20 5 HHBDRO C[C@@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000552240456 1012250348 /nfs/dbraw/zinc/25/03/48/1012250348.db2.gz ZYGLUAWLXPTMEX-AWEZNQCLSA-N 1 0 404.898 3.788 20 5 HHBDRO COc1cc(S(=O)(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000537030597 1012344493 /nfs/dbraw/zinc/34/44/93/1012344493.db2.gz XVUFWPFYCYYXNS-HNNXBMFYSA-N 1 0 419.503 3.779 20 5 HHBDRO COc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c([N+](=O)[O-])c1 ZINC000552441735 1012461115 /nfs/dbraw/zinc/46/11/15/1012461115.db2.gz VDDGQQGPOOLRTF-MRXNPFEDSA-N 1 0 405.401 3.699 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000537125893 1012508254 /nfs/dbraw/zinc/50/82/54/1012508254.db2.gz LUQDREADCFGBJJ-OXJNMPFZSA-N 1 0 413.474 3.690 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000537136767 1012526419 /nfs/dbraw/zinc/52/64/19/1012526419.db2.gz YLYFZZJWLNIYLI-UHFFFAOYSA-N 1 0 414.531 3.885 20 5 HHBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541695431 1012542625 /nfs/dbraw/zinc/54/26/25/1012542625.db2.gz WIOFCMPEUJVXNH-QUCCMNQESA-N 1 0 402.422 3.953 20 5 HHBDRO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000541725843 1012577216 /nfs/dbraw/zinc/57/72/16/1012577216.db2.gz FSYTUSCEWPUNKI-OAHLLOKOSA-N 1 0 415.465 3.680 20 5 HHBDRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000537177286 1012586109 /nfs/dbraw/zinc/58/61/09/1012586109.db2.gz XQVNNDFLJXZOKM-OAHLLOKOSA-N 1 0 411.437 3.826 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541739517 1012594842 /nfs/dbraw/zinc/59/48/42/1012594842.db2.gz JGQSLGUZGDYSQG-DJKXOVBDSA-N 1 0 401.438 3.961 20 5 HHBDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000541743468 1012599855 /nfs/dbraw/zinc/59/98/55/1012599855.db2.gz JAVZMHNFNYPAEN-NHCUHLMSSA-N 1 0 418.515 3.657 20 5 HHBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000552680557 1012688742 /nfs/dbraw/zinc/68/87/42/1012688742.db2.gz XHVTWAHEEIJCKG-PKOBYXMFSA-N 1 0 400.523 3.530 20 5 HHBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000524143567 1012929170 /nfs/dbraw/zinc/92/91/70/1012929170.db2.gz COWJTSABIMRBRA-OAHLLOKOSA-N 1 0 424.320 3.986 20 5 HHBDRO O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000913240376 1072351903 /nfs/dbraw/zinc/35/19/03/1072351903.db2.gz XZSIHYJPVPOLBY-UHFFFAOYSA-N 1 0 422.441 3.988 20 5 HHBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000760656899 1072523319 /nfs/dbraw/zinc/52/33/19/1072523319.db2.gz NTWGZCNPTUMWOU-SFHVURJKSA-N 1 0 412.446 3.548 20 5 HHBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000760656891 1072523389 /nfs/dbraw/zinc/52/33/89/1072523389.db2.gz NTWGZCNPTUMWOU-GOSISDBHSA-N 1 0 412.446 3.548 20 5 HHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000784065997 1072648977 /nfs/dbraw/zinc/64/89/77/1072648977.db2.gz MYUARYTZUGCVFJ-UHFFFAOYSA-N 1 0 402.882 3.951 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1SC ZINC000571714336 1072701360 /nfs/dbraw/zinc/70/13/60/1072701360.db2.gz QTVATUJYDNRIEC-WMLDXEAASA-N 1 0 415.515 3.718 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000555228925 1073274142 /nfs/dbraw/zinc/27/41/42/1073274142.db2.gz NOEPZCYEXKTUEX-AUUYWEPGSA-N 1 0 404.898 3.858 20 5 HHBDRO Cn1cc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000588928713 1073346905 /nfs/dbraw/zinc/34/69/05/1073346905.db2.gz LJISAWANBMWBQL-KRWDZBQOSA-N 1 0 400.866 3.514 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@H]3CCCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 ZINC000588928790 1073346989 /nfs/dbraw/zinc/34/69/89/1073346989.db2.gz JESKLVMCSVJTAA-QGZVFWFLSA-N 1 0 420.556 3.969 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590281507 1073703580 /nfs/dbraw/zinc/70/35/80/1073703580.db2.gz GREUZRKAHHINNR-INIZCTEOSA-N 1 0 407.392 3.960 20 5 HHBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3Cl)[C@H]2C1 ZINC000590447037 1073839110 /nfs/dbraw/zinc/83/91/10/1073839110.db2.gz XYOJHXRSALDFDX-QRWLVFNGSA-N 1 0 414.893 3.636 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000572946532 1073880408 /nfs/dbraw/zinc/88/04/08/1073880408.db2.gz OFSNWEZCZSGHMU-FTRWYGJKSA-N 1 0 413.474 3.688 20 5 HHBDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000567950898 1074083239 /nfs/dbraw/zinc/08/32/39/1074083239.db2.gz DKPOSZXPBVOWDW-UHFFFAOYSA-N 1 0 409.446 3.609 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC(C)(C)[NH+]3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000602222794 1075720428 /nfs/dbraw/zinc/72/04/28/1075720428.db2.gz PIGGZSRNSAQCFV-KRWDZBQOSA-N 1 0 402.539 3.825 20 5 HHBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c1 ZINC001164389620 718814462 /nfs/dbraw/zinc/81/44/62/718814462.db2.gz XDYQSQTYDUFZTM-GFCCVEGCSA-N 1 0 414.762 3.699 20 5 HHBDRO COc1cc(C)nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1[N+](=O)[O-] ZINC001164694378 719808118 /nfs/dbraw/zinc/80/81/18/719808118.db2.gz WLWSSQWQTMXPPR-UHFFFAOYSA-N 1 0 417.535 3.707 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164704909 719886758 /nfs/dbraw/zinc/88/67/58/719886758.db2.gz XFBAZMGNVFWNMB-UHFFFAOYSA-N 1 0 408.911 3.576 20 5 HHBDRO Cc1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164733355 720451861 /nfs/dbraw/zinc/45/18/61/720451861.db2.gz PIASNGPSRIUBTK-NHCUHLMSSA-N 1 0 416.485 3.608 20 5 HHBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc3ccc4ccc(Cl)nc4c3n2)C1 ZINC001164731201 720516449 /nfs/dbraw/zinc/51/64/49/720516449.db2.gz UXWPTIKLOSHYMK-HNNXBMFYSA-N 1 0 406.921 3.831 20 5 HHBDRO c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc5ccc6cccnc6c5n4)CC[N@@H+]3C2)c1 ZINC001164868656 721066562 /nfs/dbraw/zinc/06/65/62/721066562.db2.gz PCSIBLJPOHGNJP-FCHUYYIVSA-N 1 0 411.509 3.658 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)C[C@H]21 ZINC001165027510 721803579 /nfs/dbraw/zinc/80/35/79/721803579.db2.gz WAYHRQDTTHIVIC-DKZVUGQWSA-N 1 0 418.501 3.670 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)ncc3[N+](=O)[O-])C[C@H]21 ZINC001165025435 721804660 /nfs/dbraw/zinc/80/46/60/721804660.db2.gz OHWBJIHFZIPVLU-USXIJHARSA-N 1 0 401.898 3.775 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@@H]21 ZINC001165020722 721829604 /nfs/dbraw/zinc/82/96/04/721829604.db2.gz DNBXZYKDHOVTBY-IMFGXOCKSA-N 1 0 418.501 3.670 20 5 HHBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001165023472 721838240 /nfs/dbraw/zinc/83/82/40/721838240.db2.gz ZAFKGWUQUAXGQD-UHFFFAOYSA-N 1 0 420.897 3.761 20 5 HHBDRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)C1 ZINC001165037925 721899527 /nfs/dbraw/zinc/89/95/27/721899527.db2.gz OCPNWGBNFNHSCU-LBPRGKRZSA-N 1 0 411.840 3.781 20 5 HHBDRO O=[N+]([O-])c1ccc2ncc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2c1 ZINC001164992864 722194590 /nfs/dbraw/zinc/19/45/90/722194590.db2.gz BKKWPRHCFXDWRU-QFIPXVFZSA-N 1 0 407.449 3.922 20 5 HHBDRO C[C@@H]1C[N@@H+](CC2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000301183896 970792752 /nfs/dbraw/zinc/79/27/52/970792752.db2.gz OIKYSBZFBMWYQX-OKILXGFUSA-N 1 0 401.429 3.939 20 5 HHBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301273104 970843560 /nfs/dbraw/zinc/84/35/60/970843560.db2.gz RKLAYVQAVZUNKS-LBPRGKRZSA-N 1 0 405.467 3.514 20 5 HHBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000301402442 970910131 /nfs/dbraw/zinc/91/01/31/970910131.db2.gz CYBCJLWKMGDZDS-BFUOFWGJSA-N 1 0 420.491 3.860 20 5 HHBDRO O=C(c1cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301507238 970960341 /nfs/dbraw/zinc/96/03/41/970960341.db2.gz ADIJZVFMSAKQLS-LJQANCHMSA-N 1 0 414.550 3.923 20 5 HHBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000301562351 970981299 /nfs/dbraw/zinc/98/12/99/970981299.db2.gz VBQLMSZNGRQLFS-QGZVFWFLSA-N 1 0 402.495 3.644 20 5 HHBDRO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000301674848 971023236 /nfs/dbraw/zinc/02/32/36/971023236.db2.gz HBWGDHSUPYJHLD-OAHLLOKOSA-N 1 0 405.296 3.729 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301829468 971078708 /nfs/dbraw/zinc/07/87/08/971078708.db2.gz PAYAYQNLZSPIQZ-HUUCEWRRSA-N 1 0 400.445 3.608 20 5 HHBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c(Br)cncc1[N+](=O)[O-] ZINC000301876381 971095804 /nfs/dbraw/zinc/09/58/04/971095804.db2.gz ITNTUYFBGPVWED-OAHLLOKOSA-N 1 0 405.296 3.711 20 5 HHBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301898846 971105137 /nfs/dbraw/zinc/10/51/37/971105137.db2.gz XGNZYCDDRDPKII-DJJJIMSYSA-N 1 0 420.872 3.852 20 5 HHBDRO CCc1nn(C)c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301913360 971112537 /nfs/dbraw/zinc/11/25/37/971112537.db2.gz DZWHRDQMOMJGIS-UHFFFAOYSA-N 1 0 405.502 3.802 20 5 HHBDRO CC(C)NC(=O)c1ccc(N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301927235 971120047 /nfs/dbraw/zinc/12/00/47/971120047.db2.gz ZGQPHVFEBMAFLZ-SFHVURJKSA-N 1 0 410.518 3.834 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000302047817 971161949 /nfs/dbraw/zinc/16/19/49/971161949.db2.gz NWFMHUNIBKBYIS-SJORKVTESA-N 1 0 402.495 3.642 20 5 HHBDRO Cc1cc(NCc2ccc(N3CCCS3(=O)=O)cc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302133131 971183541 /nfs/dbraw/zinc/18/35/41/971183541.db2.gz CEITXYYJXQSHQS-UHFFFAOYSA-N 1 0 412.471 3.603 20 5 HHBDRO Cc1cccc2c(NCCNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])c(C)c[nH+]c12 ZINC000302408077 971234695 /nfs/dbraw/zinc/23/46/95/971234695.db2.gz GFRVAXFDNIANFE-UHFFFAOYSA-N 1 0 414.487 3.687 20 5 HHBDRO Cc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302670146 971275681 /nfs/dbraw/zinc/27/56/81/971275681.db2.gz KIOAZLGJRPVFQO-UHFFFAOYSA-N 1 0 412.328 3.747 20 5 HHBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000302675433 971276441 /nfs/dbraw/zinc/27/64/41/971276441.db2.gz UDOBCFYVVTUOHK-UHFFFAOYSA-N 1 0 417.531 3.986 20 5 HHBDRO CCCc1n[nH]c(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000303373901 971667636 /nfs/dbraw/zinc/66/76/36/971667636.db2.gz MEWUOWCQDIBOOR-UHFFFAOYSA-N 1 0 419.913 3.566 20 5 HHBDRO CCCC[N@H+](C)CC1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000303569066 971862075 /nfs/dbraw/zinc/86/20/75/971862075.db2.gz KZMQYBLIAGAFGL-UHFFFAOYSA-N 1 0 416.566 3.782 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000303572097 971864182 /nfs/dbraw/zinc/86/41/82/971864182.db2.gz BUZVNJXYJBJQHK-APWZRJJASA-N 1 0 405.539 3.759 20 5 HHBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000303639674 971919329 /nfs/dbraw/zinc/91/93/29/971919329.db2.gz HGXIMQWACYELEX-QGZVFWFLSA-N 1 0 419.485 3.736 20 5 HHBDRO COc1ccc(NC(=O)CC[NH+]2CCC(Oc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000303684465 971960690 /nfs/dbraw/zinc/96/06/90/971960690.db2.gz LCIZTCGJXYWMAW-UHFFFAOYSA-N 1 0 417.437 3.615 20 5 HHBDRO C[C@H]1C[C@@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303746133 971999020 /nfs/dbraw/zinc/99/90/20/971999020.db2.gz JZFICENWYWBWCV-AVRDEDQJSA-N 1 0 410.518 3.543 20 5 HHBDRO C[C@H]1C[C@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000303777951 972021987 /nfs/dbraw/zinc/02/19/87/972021987.db2.gz RYBMNPJKQZQVAU-DOTOQJQBSA-N 1 0 407.474 3.596 20 5 HHBDRO COc1ccc(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000524323271 1013141939 /nfs/dbraw/zinc/14/19/39/1013141939.db2.gz WCRHLNLGEABZON-QGZVFWFLSA-N 1 0 411.502 3.694 20 5 HHBDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000537622657 1013171090 /nfs/dbraw/zinc/17/10/90/1013171090.db2.gz GWZHUQQALWJPBF-KRWDZBQOSA-N 1 0 419.485 3.535 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000537658746 1013218692 /nfs/dbraw/zinc/21/86/92/1013218692.db2.gz ADDLWOITRZMVMT-UHFFFAOYSA-N 1 0 416.474 3.620 20 5 HHBDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000537679932 1013239410 /nfs/dbraw/zinc/23/94/10/1013239410.db2.gz XCGNZRBEAKECNT-IBGZPJMESA-N 1 0 406.870 3.727 20 5 HHBDRO O=C(C[NH2+]C1(c2ccc(F)cc2)CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000553284365 1013241966 /nfs/dbraw/zinc/24/19/66/1013241966.db2.gz UAXZZQLWXJRPIJ-UHFFFAOYSA-N 1 0 407.829 3.621 20 5 HHBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553332511 1013280549 /nfs/dbraw/zinc/28/05/49/1013280549.db2.gz FZSIVRSNXSZELB-LJQANCHMSA-N 1 0 417.307 3.855 20 5 HHBDRO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000010225276 961769678 /nfs/dbraw/zinc/76/96/78/961769678.db2.gz SEXCWBALLVDUCU-UHFFFAOYSA-N 1 0 404.470 3.845 20 5 HHBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000011554236 962125973 /nfs/dbraw/zinc/12/59/73/962125973.db2.gz ZCSLMVDVJXNGTD-UHFFFAOYSA-N 1 0 411.462 3.547 20 5 HHBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000537787014 1013347791 /nfs/dbraw/zinc/34/77/91/1013347791.db2.gz KLCGVEKNDJJDAU-UHFFFAOYSA-N 1 0 407.474 3.850 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCC1 ZINC000014515014 962519092 /nfs/dbraw/zinc/51/90/92/962519092.db2.gz WUKLBZGJOWUREZ-SFHVURJKSA-N 1 0 403.866 3.824 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000016102226 962944921 /nfs/dbraw/zinc/94/49/21/962944921.db2.gz GJBFQECRAVALEE-UHFFFAOYSA-N 1 0 413.474 3.528 20 5 HHBDRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000018053565 963256945 /nfs/dbraw/zinc/25/69/45/963256945.db2.gz UJVREJQNQBGNAL-IBGZPJMESA-N 1 0 418.388 3.972 20 5 HHBDRO CCc1ccc([C@H]([NH2+]C2CCC(S(C)(=O)=O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542496114 1013442034 /nfs/dbraw/zinc/44/20/34/1013442034.db2.gz HTIRFLMVIBAOHP-PKUWUEBNSA-N 1 0 406.504 3.785 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000023710651 963879874 /nfs/dbraw/zinc/87/98/74/963879874.db2.gz XMHLQZHBZQQXDZ-HNAYVOBHSA-N 1 0 416.547 3.925 20 5 HHBDRO COc1ccc([C@H](C[NH+]2CCCC2)Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1 ZINC000542508759 1013453326 /nfs/dbraw/zinc/45/33/26/1013453326.db2.gz QKLZVEQIWBSCNM-FQEVSTJZSA-N 1 0 410.474 3.737 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000023985216 963915384 /nfs/dbraw/zinc/91/53/84/963915384.db2.gz XXPFERXEROKIET-SFHVURJKSA-N 1 0 403.866 3.824 20 5 HHBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)CC1 ZINC000049733572 964202605 /nfs/dbraw/zinc/20/26/05/964202605.db2.gz OGOLNEGCXYPLBZ-UHFFFAOYSA-N 1 0 410.499 3.809 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133747 964470935 /nfs/dbraw/zinc/47/09/35/964470935.db2.gz UYYWZOHZFSLJDK-HTAPYJJXSA-N 1 0 413.474 3.642 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000026230765 964495857 /nfs/dbraw/zinc/49/58/57/964495857.db2.gz WIACKUYMDMOPLJ-JOCHJYFZSA-N 1 0 406.442 3.706 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000553616545 1013500035 /nfs/dbraw/zinc/50/00/35/1013500035.db2.gz GERJXIKCAMBXGL-RXVVDRJESA-N 1 0 410.518 3.689 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCOc1cccc(Cl)c1 ZINC000026336876 964527797 /nfs/dbraw/zinc/52/77/97/964527797.db2.gz XSXFUWCDDLHNDE-UHFFFAOYSA-N 1 0 407.854 3.596 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])CC2)c1 ZINC000026960514 964733178 /nfs/dbraw/zinc/73/31/78/964733178.db2.gz HJYIKTTXUBNYJD-UHFFFAOYSA-N 1 0 410.518 3.544 20 5 HHBDRO COc1ccc2oc([C@H](C)[NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000542582180 1013523237 /nfs/dbraw/zinc/52/32/37/1013523237.db2.gz FCXDHYQOHMVZOR-GJZGRUSLSA-N 1 0 400.431 3.749 20 5 HHBDRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])oc21 ZINC000542586792 1013527659 /nfs/dbraw/zinc/52/76/59/1013527659.db2.gz HNNKEPWASFVDBC-ZBFHGGJFSA-N 1 0 400.431 3.830 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccsc1 ZINC000052877492 965011577 /nfs/dbraw/zinc/01/15/77/965011577.db2.gz BBLUWBDEHOJKES-LJQANCHMSA-N 1 0 413.503 3.655 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000537969977 1013546493 /nfs/dbraw/zinc/54/64/93/1013546493.db2.gz AROGBJHDQGEFGD-KRWDZBQOSA-N 1 0 417.531 3.548 20 5 HHBDRO COc1ccc(NC(=O)[C@H]([NH2+]CCNc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000028622971 965140182 /nfs/dbraw/zinc/14/01/82/965140182.db2.gz FJPXGQNGRFWQMB-JOCHJYFZSA-N 1 0 420.469 3.985 20 5 HHBDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000537973754 1013550164 /nfs/dbraw/zinc/55/01/64/1013550164.db2.gz ZTIKNPVWJPWHBS-NRFANRHFSA-N 1 0 417.531 3.630 20 5 HHBDRO Cc1cc(OCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000053542071 965209761 /nfs/dbraw/zinc/20/97/61/965209761.db2.gz LSQHMZDIJKBBOJ-UHFFFAOYSA-N 1 0 417.893 3.716 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1COc2ccccc21 ZINC000542620313 1013556132 /nfs/dbraw/zinc/55/61/32/1013556132.db2.gz ROXPGCRRTAJKOM-GUYCJALGSA-N 1 0 424.482 3.811 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542626820 1013562935 /nfs/dbraw/zinc/56/29/35/1013562935.db2.gz MCLCFGMICNXPPG-MJGOQNOKSA-N 1 0 401.438 3.833 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029828874 965515653 /nfs/dbraw/zinc/51/56/53/965515653.db2.gz QNILOWCVZUMTMR-HNNXBMFYSA-N 1 0 424.457 3.953 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000054886845 965681892 /nfs/dbraw/zinc/68/18/92/965681892.db2.gz WYFYJVXOJZYWFH-UHFFFAOYSA-N 1 0 413.521 3.745 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000542679580 1013601260 /nfs/dbraw/zinc/60/12/60/1013601260.db2.gz XDWQATLSXYWXAY-UHFFFAOYSA-N 1 0 424.522 3.812 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[NH+]2CCCC2)cc1 ZINC000058841484 965925918 /nfs/dbraw/zinc/92/59/18/965925918.db2.gz PVYAOLKSGYENHM-HXUWFJFHSA-N 1 0 408.458 3.652 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000059286948 966009391 /nfs/dbraw/zinc/00/93/91/966009391.db2.gz JHHAZECTILBKIV-ROUUACIJSA-N 1 0 411.502 3.768 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccsc1 ZINC000031419970 966011085 /nfs/dbraw/zinc/01/10/85/966011085.db2.gz JTPFQHUAAPMSOT-IBGZPJMESA-N 1 0 413.503 3.655 20 5 HHBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000055749640 966046851 /nfs/dbraw/zinc/04/68/51/966046851.db2.gz FEAGTNHAQOWVFV-CEXWTWQISA-N 1 0 405.542 3.637 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000055752092 966048119 /nfs/dbraw/zinc/04/81/19/966048119.db2.gz MQPYITZVBTUXSC-LJQANCHMSA-N 1 0 413.474 3.569 20 5 HHBDRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055904450 966134177 /nfs/dbraw/zinc/13/41/77/966134177.db2.gz XBGWKPLARQEFDU-UHFFFAOYSA-N 1 0 418.881 3.763 20 5 HHBDRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000056153852 966237122 /nfs/dbraw/zinc/23/71/22/966237122.db2.gz KGWHGYCQAWNJIM-LSDHHAIUSA-N 1 0 401.463 3.907 20 5 HHBDRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000056153851 966237336 /nfs/dbraw/zinc/23/73/36/966237336.db2.gz KGWHGYCQAWNJIM-HUUCEWRRSA-N 1 0 401.463 3.907 20 5 HHBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000056332736 966306046 /nfs/dbraw/zinc/30/60/46/966306046.db2.gz HYZHVIXBYRAWHR-UHFFFAOYSA-N 1 0 405.458 3.671 20 5 HHBDRO CS(=O)(=O)c1ccc(NCc2cccc(C[NH+]3CCCCCC3)c2)c([N+](=O)[O-])c1 ZINC000060862797 966313486 /nfs/dbraw/zinc/31/34/86/966313486.db2.gz NFEPAFCJIQDBAL-UHFFFAOYSA-N 1 0 417.531 3.986 20 5 HHBDRO COc1ccc([C@H](C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000061013015 966350546 /nfs/dbraw/zinc/35/05/46/966350546.db2.gz WSGLSLFUZWQDIF-QHCPKHFHSA-N 1 0 413.518 3.890 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[NH+]2CCCC2)cc1 ZINC000061502729 966482396 /nfs/dbraw/zinc/48/23/96/966482396.db2.gz OJJSRNQKXJLUJQ-JOCHJYFZSA-N 1 0 419.485 3.656 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061566761 966503724 /nfs/dbraw/zinc/50/37/24/966503724.db2.gz OVDQXBDUKUWOHS-UHFFFAOYSA-N 1 0 412.515 3.639 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cccc(OC)c1 ZINC000041846007 966649132 /nfs/dbraw/zinc/64/91/32/966649132.db2.gz BOGKAOHZBLGQJH-NRFANRHFSA-N 1 0 410.474 3.898 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCN(C/C=C/c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000041886153 966660348 /nfs/dbraw/zinc/66/03/48/966660348.db2.gz GXEYXSGKWQKIPV-RMKNXTFCSA-N 1 0 408.502 3.563 20 5 HHBDRO COc1cc([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000538123891 1013685962 /nfs/dbraw/zinc/68/59/62/1013685962.db2.gz DIPXEHADEDKSHU-AWEZNQCLSA-N 1 0 417.462 3.608 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cc(Br)ccc1F ZINC000063742410 966944854 /nfs/dbraw/zinc/94/48/54/966944854.db2.gz CFRLJTNIALYKKC-UHFFFAOYSA-N 1 0 410.243 3.957 20 5 HHBDRO Cc1c(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000043347157 966956785 /nfs/dbraw/zinc/95/67/85/966956785.db2.gz QZQQIHAHIIQFBY-HZPDHXFCSA-N 1 0 412.490 3.834 20 5 HHBDRO O=C(c1cc(N2CC[NH+](CC3CCCCC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000064129069 967058644 /nfs/dbraw/zinc/05/86/44/967058644.db2.gz RFEGYWXWFUXQSV-UHFFFAOYSA-N 1 0 400.523 3.533 20 5 HHBDRO Cn1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064692315 967270874 /nfs/dbraw/zinc/27/08/74/967270874.db2.gz CABSMYYOMSGLIL-IBGZPJMESA-N 1 0 423.473 3.545 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000064725784 967276480 /nfs/dbraw/zinc/27/64/80/967276480.db2.gz UGEGNORSLLWIFV-NSHGMRRFSA-N 1 0 414.550 3.675 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000538153138 1013713833 /nfs/dbraw/zinc/71/38/33/1013713833.db2.gz MZJXAZFEHIXWPB-CQSZACIVSA-N 1 0 417.462 3.689 20 5 HHBDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065109988 967381798 /nfs/dbraw/zinc/38/17/98/967381798.db2.gz QRJPGTKRFNVAOO-UHFFFAOYSA-N 1 0 423.498 3.508 20 5 HHBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000538186420 1013744833 /nfs/dbraw/zinc/74/48/33/1013744833.db2.gz MYDVWDUENFHAGV-MRXNPFEDSA-N 1 0 406.442 3.972 20 5 HHBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000538196149 1013751974 /nfs/dbraw/zinc/75/19/74/1013751974.db2.gz ZUZMCFFYKVKWRK-MRXNPFEDSA-N 1 0 406.442 3.972 20 5 HHBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1OC ZINC000542915239 1013755077 /nfs/dbraw/zinc/75/50/77/1013755077.db2.gz KXIBDCWNRUQQPR-SJORKVTESA-N 1 0 417.510 3.532 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1OC ZINC000542915237 1013755261 /nfs/dbraw/zinc/75/52/61/1013755261.db2.gz KXIBDCWNRUQQPR-IRXDYDNUSA-N 1 0 417.510 3.532 20 5 HHBDRO CCN1CC[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542923510 1013759276 /nfs/dbraw/zinc/75/92/76/1013759276.db2.gz LENBLUWPUNSWSH-JXFKEZNVSA-N 1 0 409.408 3.946 20 5 HHBDRO CCN1CC[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542923514 1013759295 /nfs/dbraw/zinc/75/92/95/1013759295.db2.gz LENBLUWPUNSWSH-OXQOHEQNSA-N 1 0 409.408 3.946 20 5 HHBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000047866032 968347007 /nfs/dbraw/zinc/34/70/07/968347007.db2.gz BUGIHKXHBHUKAU-CYBMUJFWSA-N 1 0 400.426 3.830 20 5 HHBDRO CC(C)(CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000048178435 968472456 /nfs/dbraw/zinc/47/24/56/968472456.db2.gz OMWBFUJMEBYNFP-UHFFFAOYSA-N 1 0 403.401 3.530 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[NH+]2CCCC2)c1 ZINC000048297769 968515522 /nfs/dbraw/zinc/51/55/22/968515522.db2.gz AETKXTJNNKWDQE-HXUWFJFHSA-N 1 0 408.458 3.652 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000538278735 1013817131 /nfs/dbraw/zinc/81/71/31/1013817131.db2.gz BLDXIJPBXGYZTQ-XJKSGUPXSA-N 1 0 409.280 3.756 20 5 HHBDRO CC1CC[NH+]([C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000065857914 968684211 /nfs/dbraw/zinc/68/42/11/968684211.db2.gz VITCBDLEAKVCHU-SFHVURJKSA-N 1 0 402.520 3.658 20 5 HHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000065881081 968699245 /nfs/dbraw/zinc/69/92/45/968699245.db2.gz METHCYKQZFCBDC-CQSZACIVSA-N 1 0 405.882 3.784 20 5 HHBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000069231001 968821095 /nfs/dbraw/zinc/82/10/95/968821095.db2.gz XZESXOUHTIKSMG-OAQYLSRUSA-N 1 0 424.545 3.734 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000069435163 968832965 /nfs/dbraw/zinc/83/29/65/968832965.db2.gz SKMLINCMONNYST-UHFFFAOYSA-N 1 0 423.517 3.589 20 5 HHBDRO CC(C)C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH2+][C@@H](C)c1ccccc1 ZINC000554181257 1013840228 /nfs/dbraw/zinc/84/02/28/1013840228.db2.gz CIKLCUZPDIWKKZ-RDJZCZTQSA-N 1 0 409.490 3.966 20 5 HHBDRO Cn1cc(C[NH2+]C2CCN(CCc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538312879 1013844083 /nfs/dbraw/zinc/84/40/83/1013844083.db2.gz FNLFJTVTSLXFGE-UHFFFAOYSA-N 1 0 419.529 3.792 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1SC ZINC000097548857 969157553 /nfs/dbraw/zinc/15/75/53/969157553.db2.gz WWAHMCPFZMYVAA-QGZVFWFLSA-N 1 0 403.504 3.666 20 5 HHBDRO COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[NH+](C)C ZINC000108313456 969373273 /nfs/dbraw/zinc/37/32/73/969373273.db2.gz KBWDIGSTDWSDHQ-FQEVSTJZSA-N 1 0 412.490 3.554 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[NH+]2CCCC2)cc1 ZINC000109504101 969526207 /nfs/dbraw/zinc/52/62/07/969526207.db2.gz HCCSMPDPNWVGTI-QFIPXVFZSA-N 1 0 419.485 3.656 20 5 HHBDRO Cc1c(NC(=O)CC[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000554277190 1013890011 /nfs/dbraw/zinc/89/00/11/1013890011.db2.gz WKOGDNHNDKTXGS-DLBZAZTESA-N 1 0 415.515 3.733 20 5 HHBDRO CCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000110295959 969649070 /nfs/dbraw/zinc/64/90/70/969649070.db2.gz RBMXHNABXVCJOP-UHFFFAOYSA-N 1 0 424.501 3.550 20 5 HHBDRO CN(C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000110631302 969697793 /nfs/dbraw/zinc/69/77/93/969697793.db2.gz WGOAEOJJAYHTNU-MRXNPFEDSA-N 1 0 420.510 3.502 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110911893 969740636 /nfs/dbraw/zinc/74/06/36/969740636.db2.gz JNGBHMJZIWEDTQ-UHFFFAOYSA-N 1 0 410.518 3.686 20 5 HHBDRO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000116177900 969878719 /nfs/dbraw/zinc/87/87/19/969878719.db2.gz XYNIZEGFHGHXEY-UHFFFAOYSA-N 1 0 401.488 3.551 20 5 HHBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C2)CC1 ZINC000116277652 969884518 /nfs/dbraw/zinc/88/45/18/969884518.db2.gz JBWCVDRCDBNHIU-IBGZPJMESA-N 1 0 414.550 3.779 20 5 HHBDRO CC1CC[NH+](Cc2cccc(CNC(=O)CCOc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000116727049 969917770 /nfs/dbraw/zinc/91/77/70/969917770.db2.gz XQESUWWDNXLWBI-UHFFFAOYSA-N 1 0 411.502 3.912 20 5 HHBDRO Cc1cc(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000195662402 969940384 /nfs/dbraw/zinc/94/03/84/969940384.db2.gz RXLLWZXUERRXFO-CALCHBBNSA-N 1 0 412.490 3.834 20 5 HHBDRO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000138616405 970005165 /nfs/dbraw/zinc/00/51/65/970005165.db2.gz VQXQIWCFDNKUCU-UHFFFAOYSA-N 1 0 400.504 3.584 20 5 HHBDRO CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000140208252 970068644 /nfs/dbraw/zinc/06/86/44/970068644.db2.gz JSOYGGPABXVLJN-HNNXBMFYSA-N 1 0 403.504 3.697 20 5 HHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000228267193 970122780 /nfs/dbraw/zinc/12/27/80/970122780.db2.gz SLEYHOXJRZLOQE-PMACEKPBSA-N 1 0 409.534 3.585 20 5 HHBDRO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000236668335 970153173 /nfs/dbraw/zinc/15/31/73/970153173.db2.gz UGQAMMWQZUYBHK-UHFFFAOYSA-N 1 0 422.489 3.815 20 5 HHBDRO CCc1ccc([C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000236976584 970197816 /nfs/dbraw/zinc/19/78/16/970197816.db2.gz CZSLUWYCGLFCAB-QFIPXVFZSA-N 1 0 407.518 3.950 20 5 HHBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000236987154 970201120 /nfs/dbraw/zinc/20/11/20/970201120.db2.gz IHXJUHMJLFGRHD-IRXDYDNUSA-N 1 0 418.412 3.982 20 5 HHBDRO CCOc1cc(C[NH2+][C@H]2C=CCCC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000236999544 970204285 /nfs/dbraw/zinc/20/42/85/970204285.db2.gz RWMQEMBFBDQKPH-SFHVURJKSA-N 1 0 400.479 3.776 20 5 HHBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237006490 970205757 /nfs/dbraw/zinc/20/57/57/970205757.db2.gz FGUGWWXFWBPVOX-CYBMUJFWSA-N 1 0 412.895 3.953 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237246410 970248507 /nfs/dbraw/zinc/24/85/07/970248507.db2.gz QTMKGDSMTODILA-YLJYHZDGSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1ccc(C[NH2+]CC2(O)CCCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237334530 970265017 /nfs/dbraw/zinc/26/50/17/970265017.db2.gz FXVJGYDNCKMGMQ-UHFFFAOYSA-N 1 0 400.475 3.967 20 5 HHBDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237371012 970271948 /nfs/dbraw/zinc/27/19/48/970271948.db2.gz HQPUWQQRNQFLKU-MRXNPFEDSA-N 1 0 415.309 3.821 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](O)COc3ccc(F)cc3)o2)c([N+](=O)[O-])c1 ZINC000237430021 970284623 /nfs/dbraw/zinc/28/46/23/970284623.db2.gz JXWUMPHIGPCSBI-HNNXBMFYSA-N 1 0 416.405 3.532 20 5 HHBDRO C[C@@H]1CN([C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)c2c(F)cccc2Cl)CCO1 ZINC000237432993 970285150 /nfs/dbraw/zinc/28/51/50/970285150.db2.gz VFYLHJFZZVNSJG-KUHUBIRLSA-N 1 0 407.873 3.939 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+][C@H](Cc3ccccc3)C(=O)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000237440379 970289506 /nfs/dbraw/zinc/28/95/06/970289506.db2.gz VMJQVXVHQLYHJD-HXUWFJFHSA-N 1 0 423.469 3.653 20 5 HHBDRO COc1cccc(N2CC[C@@H](C[NH2+]Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000237515040 970306389 /nfs/dbraw/zinc/30/63/89/970306389.db2.gz LGGDTOZSQYQARY-KRWDZBQOSA-N 1 0 421.501 3.620 20 5 HHBDRO Cn1cc(C[NH2+]Cc2ccc(Cn3ccnc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237775512 970363546 /nfs/dbraw/zinc/36/35/46/970363546.db2.gz HMXGDKPIONPGRX-UHFFFAOYSA-N 1 0 402.458 3.530 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000237880625 970388013 /nfs/dbraw/zinc/38/80/13/970388013.db2.gz WKUXPEKACCVLAD-XBGMYJNYSA-N 1 0 401.894 3.925 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000237950390 970403359 /nfs/dbraw/zinc/40/33/59/970403359.db2.gz QTEAMIJAQBRNNG-SOFGYWHQSA-N 1 0 415.515 3.572 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCS(=O)(=O)c3ccccc3)s2)cc1 ZINC000237989173 970412483 /nfs/dbraw/zinc/41/24/83/970412483.db2.gz BTMLWGRIJSVYPR-UHFFFAOYSA-N 1 0 402.497 3.887 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000150212224 970434572 /nfs/dbraw/zinc/43/45/72/970434572.db2.gz HYQJRIQEGAUMFZ-KRWDZBQOSA-N 1 0 403.504 3.975 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000150213187 970435016 /nfs/dbraw/zinc/43/50/16/970435016.db2.gz GFTKKBHIWHQYHI-MRXNPFEDSA-N 1 0 403.504 3.975 20 5 HHBDRO C[C@@H]1[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000554642294 1013998008 /nfs/dbraw/zinc/99/80/08/1013998008.db2.gz ZRFNLKLZBQGJCZ-CZUORRHYSA-N 1 0 405.401 3.589 20 5 HHBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000554683516 1014011506 /nfs/dbraw/zinc/01/15/06/1014011506.db2.gz FWKNAWJYKCKRGU-UHFFFAOYSA-N 1 0 415.453 3.516 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCn2cc(Br)cn2)o1 ZINC000554720932 1014031344 /nfs/dbraw/zinc/03/13/44/1014031344.db2.gz GJJKIMIOORLILE-UHFFFAOYSA-N 1 0 405.252 3.994 20 5 HHBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c(Cl)c1 ZINC000301088542 970742766 /nfs/dbraw/zinc/74/27/66/970742766.db2.gz HGKKDRZXLKXYSL-KRWDZBQOSA-N 1 0 415.925 3.682 20 5 HHBDRO C[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000406053247 972888586 /nfs/dbraw/zinc/88/85/86/972888586.db2.gz ITHWCHZRIYZNIF-LJQANCHMSA-N 1 0 418.291 3.752 20 5 HHBDRO COc1ccc(OCC[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])c1 ZINC000554842491 1014071470 /nfs/dbraw/zinc/07/14/70/1014071470.db2.gz XFSBSGTUHYTFOF-JOCHJYFZSA-N 1 0 413.518 3.873 20 5 HHBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000425963314 974068120 /nfs/dbraw/zinc/06/81/20/974068120.db2.gz LSYXRZLLHOXSSH-QGZVFWFLSA-N 1 0 404.470 3.907 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000425980865 974090872 /nfs/dbraw/zinc/09/08/72/974090872.db2.gz PGMXQKZNHHJAJE-QZTJIDSGSA-N 1 0 422.407 3.858 20 5 HHBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426235884 974332385 /nfs/dbraw/zinc/33/23/85/974332385.db2.gz FLBVEBHTLCVQOF-UHFFFAOYSA-N 1 0 422.529 3.976 20 5 HHBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000426277019 974364642 /nfs/dbraw/zinc/36/46/42/974364642.db2.gz JUHMPFSJUUYTCU-UHFFFAOYSA-N 1 0 414.428 3.631 20 5 HHBDRO C[NH+](C)Cc1cc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000426480468 974477004 /nfs/dbraw/zinc/47/70/04/974477004.db2.gz AEEWDFIFNDDMLT-UHFFFAOYSA-N 1 0 400.454 3.670 20 5 HHBDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@@H](C)O1 ZINC000427290244 975028118 /nfs/dbraw/zinc/02/81/18/975028118.db2.gz YXMMIJAVHCERRF-HUUCEWRRSA-N 1 0 409.914 3.600 20 5 HHBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000427487001 975142546 /nfs/dbraw/zinc/14/25/46/975142546.db2.gz MIHNJEBOMIVZSM-UHFFFAOYSA-N 1 0 405.458 3.937 20 5 HHBDRO CCc1ccc([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)[NH+](C)C)cc1 ZINC000427920060 975350103 /nfs/dbraw/zinc/35/01/03/975350103.db2.gz COXZDCOSQSYGRD-HXUWFJFHSA-N 1 0 422.485 3.503 20 5 HHBDRO C[C@@]1(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1Cc1ccccc1 ZINC000428319307 975624285 /nfs/dbraw/zinc/62/42/85/975624285.db2.gz PFTFJQGDSWUPSX-QHCPKHFHSA-N 1 0 420.469 3.633 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)c(Cl)c1 ZINC000428548172 975855998 /nfs/dbraw/zinc/85/59/98/975855998.db2.gz NULMFWWWQWKOFV-CYBMUJFWSA-N 1 0 413.699 3.952 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)CC(F)F)o2)c(Br)c1 ZINC000428648168 975948995 /nfs/dbraw/zinc/94/89/95/975948995.db2.gz JELKJVLOMARPCL-SECBINFHSA-N 1 0 405.195 3.723 20 5 HHBDRO COC(=O)c1cc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000428739814 976019722 /nfs/dbraw/zinc/01/97/22/976019722.db2.gz SIRWVKJGGJVIFN-UHFFFAOYSA-N 1 0 411.458 3.622 20 5 HHBDRO C[C@@H](NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000428809367 976087911 /nfs/dbraw/zinc/08/79/11/976087911.db2.gz VNQFOKPRXLSWLE-KZNAEPCWSA-N 1 0 418.538 3.577 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429253038 976541180 /nfs/dbraw/zinc/54/11/80/976541180.db2.gz JMXLOFJAAZSAOK-INIZCTEOSA-N 1 0 400.454 3.582 20 5 HHBDRO Cc1noc(C[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000429470945 976738241 /nfs/dbraw/zinc/73/82/41/976738241.db2.gz OARKHVUTNHSLQN-KUHUBIRLSA-N 1 0 409.446 3.577 20 5 HHBDRO Cc1noc(C[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000429470942 976738368 /nfs/dbraw/zinc/73/83/68/976738368.db2.gz OARKHVUTNHSLQN-IFXJQAMLSA-N 1 0 409.446 3.577 20 5 HHBDRO Cc1c(NC(=O)CC[N@H+](CCc2ccccn2)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000430319537 977474023 /nfs/dbraw/zinc/47/40/23/977474023.db2.gz KTUZSIMUKPTYAD-UHFFFAOYSA-N 1 0 419.485 3.767 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430333146 977482316 /nfs/dbraw/zinc/48/23/16/977482316.db2.gz QDNLGNKNVDZFAL-UHFFFAOYSA-N 1 0 419.485 3.767 20 5 HHBDRO Cc1cc(OCC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000430675716 977686562 /nfs/dbraw/zinc/68/65/62/977686562.db2.gz ACKRCIGYEHXGFM-UYAOXDASSA-N 1 0 411.502 3.794 20 5 HHBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000430764303 977740758 /nfs/dbraw/zinc/74/07/58/977740758.db2.gz CDVKXIIQMZXLHI-SFHVURJKSA-N 1 0 422.279 3.575 20 5 HHBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000430817761 977775078 /nfs/dbraw/zinc/77/50/78/977775078.db2.gz VXRKMFNQIGEHRS-UXHICEINSA-N 1 0 416.566 3.828 20 5 HHBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430820312 977776401 /nfs/dbraw/zinc/77/64/01/977776401.db2.gz FKNJEYGKWIAJTR-CZUORRHYSA-N 1 0 412.328 3.988 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431023338 977961385 /nfs/dbraw/zinc/96/13/85/977961385.db2.gz LBZWSFBXSPZFNX-UMVBOHGHSA-N 1 0 410.312 3.835 20 5 HHBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431770910 978499469 /nfs/dbraw/zinc/49/94/69/978499469.db2.gz UOMNSRJSYXNJFE-OAHLLOKOSA-N 1 0 424.320 3.986 20 5 HHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000431790731 978515029 /nfs/dbraw/zinc/51/50/29/978515029.db2.gz ZIMIEMGNSDCCGO-UHFFFAOYSA-N 1 0 406.280 3.739 20 5 HHBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000431825793 978539504 /nfs/dbraw/zinc/53/95/04/978539504.db2.gz VMVXSEOUBWIBCN-UHFFFAOYSA-N 1 0 411.550 3.776 20 5 HHBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1O2 ZINC000431956035 978617953 /nfs/dbraw/zinc/61/79/53/978617953.db2.gz AUEWTKXEYONOJN-LJQANCHMSA-N 1 0 423.513 3.977 20 5 HHBDRO Cc1cc(OCC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000432188748 978706389 /nfs/dbraw/zinc/70/63/89/978706389.db2.gz XWVYPUIHHRURHY-SFHVURJKSA-N 1 0 403.523 3.785 20 5 HHBDRO CCc1ccc([C@@H](NCCC[N@@H+]2CCCO[C@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000432428332 978808368 /nfs/dbraw/zinc/80/83/68/978808368.db2.gz KDIAUQFWCUVBBF-VGSWGCGISA-N 1 0 401.507 3.930 20 5 HHBDRO COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433085590 979065801 /nfs/dbraw/zinc/06/58/01/979065801.db2.gz WTGZNUQCNMVYCU-HXUWFJFHSA-N 1 0 418.515 3.527 20 5 HHBDRO Cc1cnc(C2CC[NH+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)s1 ZINC000433166095 979111296 /nfs/dbraw/zinc/11/12/96/979111296.db2.gz JLQQUHNQLYSZKV-UHFFFAOYSA-N 1 0 402.476 3.537 20 5 HHBDRO COCC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000433194773 979133919 /nfs/dbraw/zinc/13/39/19/979133919.db2.gz OYWRIKDVYNQQRG-CYBMUJFWSA-N 1 0 406.451 3.549 20 5 HHBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433236773 979168026 /nfs/dbraw/zinc/16/80/26/979168026.db2.gz RYEZHCWSLKRONT-HXUWFJFHSA-N 1 0 415.515 3.647 20 5 HHBDRO CC1(C)C[C@@H](Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433236102 979168039 /nfs/dbraw/zinc/16/80/39/979168039.db2.gz XARYVNHAXDIVBQ-NHCUHLMSSA-N 1 0 408.502 3.879 20 5 HHBDRO COc1cc(C[C@@H](CO)C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc(OC)c1 ZINC000433296179 979222148 /nfs/dbraw/zinc/22/21/48/979222148.db2.gz HBNRQBNTHLIWMG-OPAMFIHVSA-N 1 0 414.502 3.775 20 5 HHBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000434033155 979772251 /nfs/dbraw/zinc/77/22/51/979772251.db2.gz VIKJPMUBYHILHZ-BWPNAZKDSA-N 1 0 414.550 3.776 20 5 HHBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000434039860 979777653 /nfs/dbraw/zinc/77/76/53/979777653.db2.gz DHYFMOZZBLACPE-UHOSZYNNSA-N 1 0 423.517 3.862 20 5 HHBDRO Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435278315 980755167 /nfs/dbraw/zinc/75/51/67/980755167.db2.gz LZVILMKQJXLDTG-SFHVURJKSA-N 1 0 405.458 3.799 20 5 HHBDRO Cc1c(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000435376898 980826291 /nfs/dbraw/zinc/82/62/91/980826291.db2.gz VZQZTGBCTSEWOZ-SFHVURJKSA-N 1 0 405.458 3.799 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 ZINC000435815101 981042667 /nfs/dbraw/zinc/04/26/67/981042667.db2.gz ASOWCMBKIZPIST-HXUWFJFHSA-N 1 0 421.447 3.992 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)Cc1ccccc1 ZINC000435826695 981048584 /nfs/dbraw/zinc/04/85/84/981048584.db2.gz MWXNLEDSMIEXGW-QGZVFWFLSA-N 1 0 417.484 3.723 20 5 HHBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000435941628 981104840 /nfs/dbraw/zinc/10/48/40/981104840.db2.gz UQUBXFWAGASAMI-UHFFFAOYSA-N 1 0 413.468 3.904 20 5 HHBDRO C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[N@@H+]1CCC[C@H](C)C1 ZINC000436113460 981206474 /nfs/dbraw/zinc/20/64/74/981206474.db2.gz YYFXHKKLVPRHMF-UONOGXRCSA-N 1 0 413.468 3.810 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000436244611 981266861 /nfs/dbraw/zinc/26/68/61/981266861.db2.gz KMUQICBPYAOUMZ-AWEZNQCLSA-N 1 0 413.468 3.810 20 5 HHBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1Sc1nnc([C@@H]2CCC[NH2+]C2)n1C1CC1 ZINC000436396321 981347518 /nfs/dbraw/zinc/34/75/18/981347518.db2.gz ZHLFNEGXDAIPBH-SECBINFHSA-N 1 0 414.413 3.553 20 5 HHBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n(C2CC[NH+](C)CC2)n1 ZINC000437017919 981691555 /nfs/dbraw/zinc/69/15/55/981691555.db2.gz ZWCIAVFPPYNGCF-UHFFFAOYSA-N 1 0 411.384 3.638 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000437103687 981762634 /nfs/dbraw/zinc/76/26/34/981762634.db2.gz ATCUXEGJZBTXQU-YLJYHZDGSA-N 1 0 409.465 3.875 20 5 HHBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437167253 981819634 /nfs/dbraw/zinc/81/96/34/981819634.db2.gz VUALDNJJZPTLEM-UHFFFAOYSA-N 1 0 422.407 3.926 20 5 HHBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460190943 981964794 /nfs/dbraw/zinc/96/47/94/981964794.db2.gz HDIABSNVCVBSMB-FQEVSTJZSA-N 1 0 406.490 3.584 20 5 HHBDRO C[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000437468287 982098496 /nfs/dbraw/zinc/09/84/96/982098496.db2.gz OJKPYDFDAQNBOF-GOSISDBHSA-N 1 0 419.485 3.517 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437845492 982402272 /nfs/dbraw/zinc/40/22/72/982402272.db2.gz WMLPNLDREFELNI-QGZVFWFLSA-N 1 0 424.339 3.813 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000438562320 982903219 /nfs/dbraw/zinc/90/32/19/982903219.db2.gz OYALJWSXULTDJE-UHFFFAOYSA-N 1 0 402.539 3.674 20 5 HHBDRO CC[NH+]1CCC(CCNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000461231727 982939894 /nfs/dbraw/zinc/93/98/94/982939894.db2.gz YSXDILONRBMWQY-UHFFFAOYSA-N 1 0 402.539 3.683 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000461416358 983080402 /nfs/dbraw/zinc/08/04/02/983080402.db2.gz FCVOPWWDURHDSC-OALUTQOASA-N 1 0 414.550 3.779 20 5 HHBDRO CO[C@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCOC1 ZINC000461424621 983087376 /nfs/dbraw/zinc/08/73/76/983087376.db2.gz HTMCUKCEAZPRCA-KRWDZBQOSA-N 1 0 411.252 3.512 20 5 HHBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461440560 983104744 /nfs/dbraw/zinc/10/47/44/983104744.db2.gz YDILQDSEDMOSMU-ROUUACIJSA-N 1 0 404.470 3.670 20 5 HHBDRO CC(C)[N@@H+](Cc1ccc(-c2ccccc2F)s1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438837327 983106103 /nfs/dbraw/zinc/10/61/03/983106103.db2.gz QBYSFLWLZWTHPP-MRXNPFEDSA-N 1 0 418.494 3.930 20 5 HHBDRO CSc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000461444291 983109305 /nfs/dbraw/zinc/10/93/05/983109305.db2.gz KQRHMRQRXUIRBD-RBUKOAKNSA-N 1 0 411.527 3.911 20 5 HHBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461450494 983116226 /nfs/dbraw/zinc/11/62/26/983116226.db2.gz SSYKTKWQWMLEHB-OAHLLOKOSA-N 1 0 400.504 3.666 20 5 HHBDRO CC(C)(C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000461452193 983118456 /nfs/dbraw/zinc/11/84/56/983118456.db2.gz UPOVJIXZVVBNKE-WOJBJXKFSA-N 1 0 407.514 3.853 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461455603 983121926 /nfs/dbraw/zinc/12/19/26/983121926.db2.gz LSYVQGJLJGSWKG-LEWJYISDSA-N 1 0 422.529 3.767 20 5 HHBDRO Cc1c(CC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000438896751 983141789 /nfs/dbraw/zinc/14/17/89/983141789.db2.gz BTMVQEIMXRYYEY-UHFFFAOYSA-N 1 0 401.894 3.880 20 5 HHBDRO CC(C)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000439119361 983258754 /nfs/dbraw/zinc/25/87/54/983258754.db2.gz ZCEKPCDCQOUSOE-UHFFFAOYSA-N 1 0 424.501 3.748 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000440550205 983792964 /nfs/dbraw/zinc/79/29/64/983792964.db2.gz ZSNYVRVYMVDLBY-HCROLABASA-N 1 0 417.506 3.600 20 5 HHBDRO CCOC(=O)[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)Cc2ccccc21 ZINC000441122923 984078645 /nfs/dbraw/zinc/07/86/45/984078645.db2.gz IBGCZXZXQKNCJQ-HXUWFJFHSA-N 1 0 421.453 3.955 20 5 HHBDRO COc1ccc(OCC[N@@H+](Cc2ccccc2)CC2CCOCC2)c([N+](=O)[O-])c1 ZINC000441398135 984230852 /nfs/dbraw/zinc/23/08/52/984230852.db2.gz UZTQVOZWNLPOLM-UHFFFAOYSA-N 1 0 400.475 3.911 20 5 HHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441402782 984233334 /nfs/dbraw/zinc/23/33/34/984233334.db2.gz JUKZDSTXRVXMGQ-LPMFXHHGSA-N 1 0 406.914 3.524 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CCC(C[NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000441924341 984543460 /nfs/dbraw/zinc/54/34/60/984543460.db2.gz LTKAJRUPSFOMFY-ZVBHREPYSA-N 1 0 416.566 3.927 20 5 HHBDRO Cc1cc(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461934756 984940776 /nfs/dbraw/zinc/94/07/76/984940776.db2.gz LGRIMOQMDIYXQY-CQSZACIVSA-N 1 0 400.445 3.527 20 5 HHBDRO Cc1cc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461952815 984947680 /nfs/dbraw/zinc/94/76/80/984947680.db2.gz CJBKEYMJJIBBMF-UHFFFAOYSA-N 1 0 414.472 3.917 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1C ZINC000462327501 985317752 /nfs/dbraw/zinc/31/77/52/985317752.db2.gz OSXOJOSHZMKNSK-HNAYVOBHSA-N 1 0 423.560 3.635 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000462497146 985449820 /nfs/dbraw/zinc/44/98/20/985449820.db2.gz WCVWLODITLBSKN-QGZVFWFLSA-N 1 0 412.490 3.692 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(Br)s2)c([N+](=O)[O-])c1 ZINC000443346321 985510593 /nfs/dbraw/zinc/51/05/93/985510593.db2.gz PFMSGEYQOIILEZ-SECBINFHSA-N 1 0 414.281 3.717 20 5 HHBDRO C[C@H](CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000443431182 985588983 /nfs/dbraw/zinc/58/89/83/985588983.db2.gz BKZUMZFGMSFCGM-MRXNPFEDSA-N 1 0 418.519 3.539 20 5 HHBDRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000468033052 985688565 /nfs/dbraw/zinc/68/85/65/985688565.db2.gz FZZHJOZIYPOCEH-LBPRGKRZSA-N 1 0 405.838 3.542 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000462806200 985737464 /nfs/dbraw/zinc/73/74/64/985737464.db2.gz GDHNWEWWKBNVCZ-BBRMVZONSA-N 1 0 407.392 3.864 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@H](O)C[C@@H]3c3cc(F)ccc3F)o2)c1 ZINC000443590094 985765732 /nfs/dbraw/zinc/76/57/32/985765732.db2.gz HZNRNDUUVCLARY-VQIMIIECSA-N 1 0 415.396 3.878 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)N2CCC(CCC[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000443603465 985781179 /nfs/dbraw/zinc/78/11/79/985781179.db2.gz MRZYLENXZTWLFI-GOSISDBHSA-N 1 0 402.539 3.818 20 5 HHBDRO CCOC(=O)c1ccnc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000462870242 985794765 /nfs/dbraw/zinc/79/47/65/985794765.db2.gz IUNMTIDYEGZPIH-CZUORRHYSA-N 1 0 404.492 3.723 20 5 HHBDRO O=C(C[C@@H]1CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000468265184 985967899 /nfs/dbraw/zinc/96/78/99/985967899.db2.gz CWBZRKUYRNDPLA-AWEZNQCLSA-N 1 0 415.471 3.692 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000468359766 986057619 /nfs/dbraw/zinc/05/76/19/986057619.db2.gz DXCICXMRXCRDPK-CQSZACIVSA-N 1 0 420.307 3.698 20 5 HHBDRO C[NH+](C)[C@@]1(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCSC1 ZINC000443921630 986125630 /nfs/dbraw/zinc/12/56/30/986125630.db2.gz SVGGBRALBPUMDR-HXUWFJFHSA-N 1 0 416.503 3.946 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000463189588 986160627 /nfs/dbraw/zinc/16/06/27/986160627.db2.gz AZJKKVXXHYCFGS-MCYKXBRJSA-N 1 0 419.522 3.584 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000443954907 986163054 /nfs/dbraw/zinc/16/30/54/986163054.db2.gz DJJKLDACNRUZDX-HOTGVXAUSA-N 1 0 404.511 3.565 20 5 HHBDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000463209584 986181075 /nfs/dbraw/zinc/18/10/75/986181075.db2.gz KSSXPZDWKWNWCJ-PBYMTVQHSA-N 1 0 409.914 3.838 20 5 HHBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000463210817 986182492 /nfs/dbraw/zinc/18/24/92/986182492.db2.gz HCZWIODZVUQABF-LBKNJMOBSA-N 1 0 417.506 3.544 20 5 HHBDRO CCOc1cc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000444038756 986236065 /nfs/dbraw/zinc/23/60/65/986236065.db2.gz QMZYDSALAWSQBU-GJZGRUSLSA-N 1 0 408.499 3.729 20 5 HHBDRO CC[NH+](CC)CCCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444041230 986238413 /nfs/dbraw/zinc/23/84/13/986238413.db2.gz YCLDWHXILPBQFG-UHFFFAOYSA-N 1 0 401.457 3.811 20 5 HHBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444130876 986323546 /nfs/dbraw/zinc/32/35/46/986323546.db2.gz WFVBBFJRZOVESM-CQSZACIVSA-N 1 0 413.468 3.763 20 5 HHBDRO COc1ccc([C@@H](C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000468643306 986358399 /nfs/dbraw/zinc/35/83/99/986358399.db2.gz OVQGKNVLAXTYRN-INTAXFPDSA-N 1 0 411.502 3.670 20 5 HHBDRO CCc1cnc(N2CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)s1 ZINC000444212404 986395545 /nfs/dbraw/zinc/39/55/45/986395545.db2.gz MQOSAWDDJCNFLM-UHFFFAOYSA-N 1 0 413.503 3.633 20 5 HHBDRO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000444242770 986434907 /nfs/dbraw/zinc/43/49/07/986434907.db2.gz HAGWKSNOLGQARO-GAJHUEQPSA-N 1 0 401.510 3.770 20 5 HHBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444246649 986439956 /nfs/dbraw/zinc/43/99/56/986439956.db2.gz UHIZGZDVBYIZGS-OAHLLOKOSA-N 1 0 413.468 3.810 20 5 HHBDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000444247708 986440762 /nfs/dbraw/zinc/44/07/62/986440762.db2.gz GQHOAHDPMBKOMQ-IBGZPJMESA-N 1 0 410.474 3.796 20 5 HHBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)CC[C@@H]21 ZINC000444249238 986443235 /nfs/dbraw/zinc/44/32/35/986443235.db2.gz SOIVLLLEAMHEBK-DJJJIMSYSA-N 1 0 411.452 3.516 20 5 HHBDRO CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccc2[nH]c(CCN3CCOCC3)[nH+]c2c1 ZINC000468747994 986461492 /nfs/dbraw/zinc/46/14/92/986461492.db2.gz HBXQTQXUCXDLKX-GHRIWEEISA-N 1 0 421.501 3.861 20 5 HHBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444290254 986477681 /nfs/dbraw/zinc/47/76/81/986477681.db2.gz OEFVGYQYVZPPEW-UHFFFAOYSA-N 1 0 412.493 3.723 20 5 HHBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000463506107 986481737 /nfs/dbraw/zinc/48/17/37/986481737.db2.gz RHGNCPMHTYPASR-UHFFFAOYSA-N 1 0 424.379 3.756 20 5 HHBDRO Cn1cc(Nc2cccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)c2)cn1 ZINC000469055784 986767483 /nfs/dbraw/zinc/76/74/83/986767483.db2.gz RLIOBZKYNIRKAR-UHFFFAOYSA-N 1 0 403.402 3.510 20 5 HHBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000444680445 986860421 /nfs/dbraw/zinc/86/04/21/986860421.db2.gz PDPAEAOCNNXGBV-CQSZACIVSA-N 1 0 416.441 3.969 20 5 HHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000469160781 986885069 /nfs/dbraw/zinc/88/50/69/986885069.db2.gz YXWBDJZHHLNUOW-MGPUTAFESA-N 1 0 417.456 3.975 20 5 HHBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Br)cc1 ZINC000444738257 986907730 /nfs/dbraw/zinc/90/77/30/986907730.db2.gz RVJIUDNRWPWBOH-LBPRGKRZSA-N 1 0 404.264 3.597 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000469320945 987031084 /nfs/dbraw/zinc/03/10/84/987031084.db2.gz LEQAUDQEPUKBDR-MRXNPFEDSA-N 1 0 405.857 3.916 20 5 HHBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000469547352 987219346 /nfs/dbraw/zinc/21/93/46/987219346.db2.gz OPCQLLTXCSAZPU-IBGZPJMESA-N 1 0 405.520 3.567 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469766669 987419215 /nfs/dbraw/zinc/41/92/15/987419215.db2.gz WWSDCRCWUGLKGH-ROUUACIJSA-N 1 0 410.518 3.588 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469790844 987435222 /nfs/dbraw/zinc/43/52/22/987435222.db2.gz MDEFIKYFHJHBNW-QZTJIDSGSA-N 1 0 410.518 3.588 20 5 HHBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469922971 987551247 /nfs/dbraw/zinc/55/12/47/987551247.db2.gz IAMUURPWQGAPLL-QGZVFWFLSA-N 1 0 403.504 3.527 20 5 HHBDRO COc1ccc([C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[NH+]2CCCC2)cc1 ZINC000445584482 987650352 /nfs/dbraw/zinc/65/03/52/987650352.db2.gz SEYWJHQXLBPWFH-QFIPXVFZSA-N 1 0 424.501 3.508 20 5 HHBDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC2)cc1 ZINC000470115536 988017873 /nfs/dbraw/zinc/01/78/73/988017873.db2.gz ABSVOVAOZNADHM-UHFFFAOYSA-N 1 0 416.453 3.776 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000463920102 988029367 /nfs/dbraw/zinc/02/93/67/988029367.db2.gz LDFXHBRIVNBCFN-KDOFPFPSSA-N 1 0 403.454 3.926 20 5 HHBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2[N+](=O)[O-])C1 ZINC000463931066 988040335 /nfs/dbraw/zinc/04/03/35/988040335.db2.gz OSHFUVPNPGXIIP-GYMWCJPTSA-N 1 0 414.550 3.822 20 5 HHBDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000470139895 988046142 /nfs/dbraw/zinc/04/61/42/988046142.db2.gz BSIACHPOGOVRMV-INIZCTEOSA-N 1 0 419.909 3.929 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000463963381 988075746 /nfs/dbraw/zinc/07/57/46/988075746.db2.gz GZPSBNIOZHQQOG-QZTJIDSGSA-N 1 0 418.538 3.955 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000470170296 988085646 /nfs/dbraw/zinc/08/56/46/988085646.db2.gz RVCHHQBMHGWCSX-KZFLWGQDSA-N 1 0 408.502 3.808 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000470180043 988096643 /nfs/dbraw/zinc/09/66/43/988096643.db2.gz HGLNHYLCTDZYII-VBKFSLOCSA-N 1 0 401.429 3.585 20 5 HHBDRO COc1cc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])cc1F ZINC000464489274 988659869 /nfs/dbraw/zinc/65/98/69/988659869.db2.gz UXYIBELEUOHNAY-GFCCVEGCSA-N 1 0 402.348 3.795 20 5 HHBDRO COc1cc(CN2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c([N+](=O)[O-])cc1F ZINC000464489261 988660058 /nfs/dbraw/zinc/66/00/58/988660058.db2.gz FLZJHAWYPXGKFP-CYBMUJFWSA-N 1 0 415.343 3.810 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000470677717 988702178 /nfs/dbraw/zinc/70/21/78/988702178.db2.gz KIVZPVGUHPWVAZ-SJLPKXTDSA-N 1 0 411.506 3.766 20 5 HHBDRO CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470678312 988703076 /nfs/dbraw/zinc/70/30/76/988703076.db2.gz NWNUHFGIJMKOMV-GOSISDBHSA-N 1 0 420.469 3.585 20 5 HHBDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000464737942 988958202 /nfs/dbraw/zinc/95/82/02/988958202.db2.gz QYJGATPMKNFUBA-MRXNPFEDSA-N 1 0 401.429 3.650 20 5 HHBDRO CCOc1ccccc1NC(=O)[C@@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464771500 988994809 /nfs/dbraw/zinc/99/48/09/988994809.db2.gz FLPJZAODLNNIHT-MRXNPFEDSA-N 1 0 413.474 3.864 20 5 HHBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464828794 989066901 /nfs/dbraw/zinc/06/69/01/989066901.db2.gz DBIDALSPKQZVGT-SFHVURJKSA-N 1 0 407.474 3.599 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000471003087 989070083 /nfs/dbraw/zinc/07/00/83/989070083.db2.gz CDJKNGAEBHGERS-QZTJIDSGSA-N 1 0 412.412 3.788 20 5 HHBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464839817 989084465 /nfs/dbraw/zinc/08/44/65/989084465.db2.gz ZOKVVBXMYKLZPX-KRWDZBQOSA-N 1 0 416.909 3.641 20 5 HHBDRO COC(=O)C(C)(C)C[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000464981818 989285547 /nfs/dbraw/zinc/28/55/47/989285547.db2.gz OZCXLRMOINFRQE-KRWDZBQOSA-N 1 0 419.865 3.717 20 5 HHBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CCOc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000465180890 989515794 /nfs/dbraw/zinc/51/57/94/989515794.db2.gz CAUXTKHAACMDFR-KRWDZBQOSA-N 1 0 413.474 3.723 20 5 HHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471382142 989560574 /nfs/dbraw/zinc/56/05/74/989560574.db2.gz ZTDTWZBDHDOCGJ-YTQUADARSA-N 1 0 411.527 3.666 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2[N+](=O)[O-])n1 ZINC000465238154 989587678 /nfs/dbraw/zinc/58/76/78/989587678.db2.gz VSWZASSOZIOUFU-CABCVRRESA-N 1 0 418.544 3.820 20 5 HHBDRO Cn1cc(C[NH2+]CCc2ccccc2OC(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000471545897 989745629 /nfs/dbraw/zinc/74/56/29/989745629.db2.gz DDPYMRJGKBQXND-UHFFFAOYSA-N 1 0 402.401 3.929 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000465531039 989890794 /nfs/dbraw/zinc/89/07/94/989890794.db2.gz QEUBVELKHHDWER-NRFANRHFSA-N 1 0 418.538 3.658 20 5 HHBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000465607924 989991490 /nfs/dbraw/zinc/99/14/90/989991490.db2.gz SUSSXPXNQODYGQ-SFHVURJKSA-N 1 0 418.538 3.660 20 5 HHBDRO Cn1cc(C[NH2+]CCc2cn(C)c3cc(F)ccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000472076095 990235604 /nfs/dbraw/zinc/23/56/04/990235604.db2.gz TWAQCLOPODUUAB-UHFFFAOYSA-N 1 0 407.449 3.958 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000466498063 991784878 /nfs/dbraw/zinc/78/48/78/991784878.db2.gz ZTCHIOSJPITMAS-UHFFFAOYSA-N 1 0 412.490 3.534 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000466994004 992303300 /nfs/dbraw/zinc/30/33/00/992303300.db2.gz WKLQPHOMBGLOOJ-LJQANCHMSA-N 1 0 401.438 3.700 20 5 HHBDRO COC[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000467123025 992437684 /nfs/dbraw/zinc/43/76/84/992437684.db2.gz UNHYWGZNSDGDBB-HUUCEWRRSA-N 1 0 418.519 3.794 20 5 HHBDRO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)CC[C@H]1CCCO1 ZINC000467150936 992468103 /nfs/dbraw/zinc/46/81/03/992468103.db2.gz XTDNHUIVQOSLBD-XJKSGUPXSA-N 1 0 404.492 3.546 20 5 HHBDRO C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000467214076 992538389 /nfs/dbraw/zinc/53/83/89/992538389.db2.gz DTENENWAZGTWNC-CRAIPNDOSA-N 1 0 416.909 3.958 20 5 HHBDRO Cc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(OCC[NH+](C)C)c1 ZINC000467357610 992675895 /nfs/dbraw/zinc/67/58/95/992675895.db2.gz JUEOMQPLTRXNKL-UHFFFAOYSA-N 1 0 406.870 3.819 20 5 HHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)CCC2 ZINC000467403686 992711148 /nfs/dbraw/zinc/71/11/48/992711148.db2.gz IMPIHLYQOORORJ-GOSISDBHSA-N 1 0 423.922 3.584 20 5 HHBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CCC[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000467666121 992924872 /nfs/dbraw/zinc/92/48/72/992924872.db2.gz LVQKCWSJSBWUFN-ROUUACIJSA-N 1 0 402.539 3.635 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C[N@@H+]1Cc1ccccc1 ZINC000467696047 992952553 /nfs/dbraw/zinc/95/25/53/992952553.db2.gz SVWQCPCKDPDADS-ZFWWWQNUSA-N 1 0 418.291 3.750 20 5 HHBDRO COc1ccc(C[NH2+]CC2(CO)CCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000472147736 993202550 /nfs/dbraw/zinc/20/25/50/993202550.db2.gz QGZJDJFENDVNAJ-UHFFFAOYSA-N 1 0 400.475 3.825 20 5 HHBDRO CC[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](CC)CN1C(C)=O ZINC000472330165 993338962 /nfs/dbraw/zinc/33/89/62/993338962.db2.gz UBWVZQCMJIATMM-ROUUACIJSA-N 1 0 400.479 3.514 20 5 HHBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000472349351 993352138 /nfs/dbraw/zinc/35/21/38/993352138.db2.gz MLEIQLUYLNGTDB-UHFFFAOYSA-N 1 0 412.534 3.879 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000472446681 993449296 /nfs/dbraw/zinc/44/92/96/993449296.db2.gz ARRXYLIOHFQWDW-HXUWFJFHSA-N 1 0 410.518 3.828 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000472743670 993674436 /nfs/dbraw/zinc/67/44/36/993674436.db2.gz BHAYYXKPDFVETE-UHFFFAOYSA-N 1 0 419.485 3.602 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1C ZINC000480932201 993782435 /nfs/dbraw/zinc/78/24/35/993782435.db2.gz LJNPNHKGODPOTQ-UHFFFAOYSA-N 1 0 405.520 3.530 20 5 HHBDRO CN(CC[N@H+](C)C1CC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000473081568 993996963 /nfs/dbraw/zinc/99/69/63/993996963.db2.gz RMQNNHNCKVEFRB-FQEVSTJZSA-N 1 0 416.909 3.954 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC000481179383 994009485 /nfs/dbraw/zinc/00/94/85/994009485.db2.gz IIDLVFRXDIVJAJ-NQIIRXRSSA-N 1 0 402.516 3.760 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000481186788 994018288 /nfs/dbraw/zinc/01/82/88/994018288.db2.gz YFVPWCRTIOLKTB-KPFFTGBYSA-N 1 0 410.518 3.730 20 5 HHBDRO O=C(C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000481193318 994026758 /nfs/dbraw/zinc/02/67/58/994026758.db2.gz SDZFZKIJXWIPEU-IAGOWNOFSA-N 1 0 411.458 3.653 20 5 HHBDRO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000481516435 994346580 /nfs/dbraw/zinc/34/65/80/994346580.db2.gz NBVIVDNLHYWCKV-DDUZABMNSA-N 1 0 418.519 3.528 20 5 HHBDRO CSc1cccc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1[N+](=O)[O-] ZINC000473518181 994372593 /nfs/dbraw/zinc/37/25/93/994372593.db2.gz KLAVADVKYWBKDB-UHFFFAOYSA-N 1 0 417.453 3.852 20 5 HHBDRO CC[N@@H+]1CCC[C@@H](CN(C)c2nc3ccccc3cc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000473520424 994375232 /nfs/dbraw/zinc/37/52/32/994375232.db2.gz PIBOJEIBPJZKST-LAUBAEHRSA-N 1 0 408.506 3.786 20 5 HHBDRO Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000481667766 994527971 /nfs/dbraw/zinc/52/79/71/994527971.db2.gz HMIKLYDAAJSYID-UHFFFAOYSA-N 1 0 400.454 3.825 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC(c3ccc(Cl)cc3)CC2)cc1 ZINC000481832714 994682682 /nfs/dbraw/zinc/68/26/82/994682682.db2.gz PGBOXEACZOIAGF-UHFFFAOYSA-N 1 0 408.907 3.902 20 5 HHBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000481885547 994751268 /nfs/dbraw/zinc/75/12/68/994751268.db2.gz SACVHTFXPRQUCH-IEBWSBKVSA-N 1 0 415.515 3.517 20 5 HHBDRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2)CC1 ZINC000473835408 994768204 /nfs/dbraw/zinc/76/82/04/994768204.db2.gz CLJPLAAQUDMOEU-QGZVFWFLSA-N 1 0 411.506 3.928 20 5 HHBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000481994916 994896476 /nfs/dbraw/zinc/89/64/76/994896476.db2.gz UWDSTPSSZAAHLO-UYAOXDASSA-N 1 0 424.501 3.657 20 5 HHBDRO Cc1ccccc1[C@@H]([C@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000473933440 994906213 /nfs/dbraw/zinc/90/62/13/994906213.db2.gz QUHIEARJSVPAQV-SUMWQHHRSA-N 1 0 411.911 3.526 20 5 HHBDRO C[NH+]1CCN(Cc2ccc(NCc3cccc([N+](=O)[O-])c3)cc2Br)CC1 ZINC000474014139 995004121 /nfs/dbraw/zinc/00/41/21/995004121.db2.gz JAJZYPMRRMZUIM-UHFFFAOYSA-N 1 0 419.323 3.717 20 5 HHBDRO COc1cccc([C@@H]2[C@H](NC(=O)Cc3cccc([N+](=O)[O-])c3C)CC[N@@H+]2C2CC2)c1 ZINC000482096538 995039646 /nfs/dbraw/zinc/03/96/46/995039646.db2.gz BMQCFQOHFCRFDP-NFBKMPQASA-N 1 0 409.486 3.549 20 5 HHBDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000482151034 995104121 /nfs/dbraw/zinc/10/41/21/995104121.db2.gz YKULYYVGQQLRHJ-QGZVFWFLSA-N 1 0 411.502 3.796 20 5 HHBDRO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000482168731 995128246 /nfs/dbraw/zinc/12/82/46/995128246.db2.gz ZWNKNASJYNCBEI-FQEVSTJZSA-N 1 0 418.925 3.933 20 5 HHBDRO Cc1c(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000482207421 995190737 /nfs/dbraw/zinc/19/07/37/995190737.db2.gz GIUNRPXZNDYQCD-UHFFFAOYSA-N 1 0 411.502 3.704 20 5 HHBDRO CC1CC[NH+](C2CCC(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)CC2)CC1 ZINC000482218464 995203230 /nfs/dbraw/zinc/20/32/30/995203230.db2.gz XHLKXTLBHRRDED-UHFFFAOYSA-N 1 0 411.506 3.553 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]CCc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000474347376 995326711 /nfs/dbraw/zinc/32/67/11/995326711.db2.gz CRJNUSUUGKHZDK-UHFFFAOYSA-N 1 0 413.257 3.786 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000474349752 995329462 /nfs/dbraw/zinc/32/94/62/995329462.db2.gz HXXMEFXVHNCWQJ-INIZCTEOSA-N 1 0 418.421 3.678 20 5 HHBDRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000482402481 995388469 /nfs/dbraw/zinc/38/84/69/995388469.db2.gz QAUCYTOESGCVNA-UHFFFAOYSA-N 1 0 415.465 3.535 20 5 HHBDRO COc1ccc(-c2ccc(C[NH+]3CCC([C@@H](C)NC(C)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000482522174 995531670 /nfs/dbraw/zinc/53/16/70/995531670.db2.gz HJUYEZQEVXOJMB-CQSZACIVSA-N 1 0 401.463 3.600 20 5 HHBDRO C[NH+](C)CCCOc1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])cc1 ZINC000474778828 995704972 /nfs/dbraw/zinc/70/49/72/995704972.db2.gz CEZIIEBCKQWOET-UHFFFAOYSA-N 1 0 409.284 3.695 20 5 HHBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000482985045 995902150 /nfs/dbraw/zinc/90/21/50/995902150.db2.gz BPATXYDBNXYEBN-WOJBJXKFSA-N 1 0 418.856 3.666 20 5 HHBDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000475129355 995941021 /nfs/dbraw/zinc/94/10/21/995941021.db2.gz JRZBCDFAPUEFLO-IEBWSBKVSA-N 1 0 405.882 3.925 20 5 HHBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000475224134 996007535 /nfs/dbraw/zinc/00/75/35/996007535.db2.gz NKYFYUKYFSEEPC-PBHICJAKSA-N 1 0 408.545 3.951 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000483215861 996042613 /nfs/dbraw/zinc/04/26/13/996042613.db2.gz UGLVZLQXVCWIMT-GOSISDBHSA-N 1 0 421.494 3.505 20 5 HHBDRO Cc1nc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000475311721 996062306 /nfs/dbraw/zinc/06/23/06/996062306.db2.gz VVHOTDRZWISYHF-SFHVURJKSA-N 1 0 408.380 3.691 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000475354432 996086357 /nfs/dbraw/zinc/08/63/57/996086357.db2.gz RYDAULMMFQFMNM-SJLPKXTDSA-N 1 0 402.422 3.712 20 5 HHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000475358435 996088387 /nfs/dbraw/zinc/08/83/87/996088387.db2.gz NSBHUDUGIKZWKI-HDICACEKSA-N 1 0 403.429 3.760 20 5 HHBDRO CCOc1cc(NC(=O)NC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1OCC ZINC000475374758 996098590 /nfs/dbraw/zinc/09/85/90/996098590.db2.gz RCNQTXXUYVLJQZ-UHFFFAOYSA-N 1 0 406.483 3.531 20 5 HHBDRO Cc1c(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000483365468 996128991 /nfs/dbraw/zinc/12/89/91/996128991.db2.gz OBUGCTPRSJVISH-SMDDNHRTSA-N 1 0 411.300 3.756 20 5 HHBDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000475562272 996220025 /nfs/dbraw/zinc/22/00/25/996220025.db2.gz NPFQQKACJPRJLX-UHFFFAOYSA-N 1 0 406.527 3.814 20 5 HHBDRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)cc1 ZINC000475584014 996231691 /nfs/dbraw/zinc/23/16/91/996231691.db2.gz XNGKWHHOBZBJFT-IBGZPJMESA-N 1 0 414.458 3.882 20 5 HHBDRO Cc1nc(CN(C)[C@H]2CCC[N@@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)no1 ZINC000475628398 996260610 /nfs/dbraw/zinc/26/06/10/996260610.db2.gz VPSXHVOOBKRUPK-SFHVURJKSA-N 1 0 401.511 3.896 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@]4(CCOC4)OC(C)(C)C3)o2)c([N+](=O)[O-])c1 ZINC000475644856 996273662 /nfs/dbraw/zinc/27/36/62/996273662.db2.gz YROXTCVKSDPSMF-NRFANRHFSA-N 1 0 402.447 3.633 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000475716256 996318860 /nfs/dbraw/zinc/31/88/60/996318860.db2.gz PLWKVXBCNSEVCZ-IBGZPJMESA-N 1 0 413.474 3.550 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000475717986 996320937 /nfs/dbraw/zinc/32/09/37/996320937.db2.gz XFBKBSCVHKPWSY-RHSMWYFYSA-N 1 0 402.422 3.664 20 5 HHBDRO CCc1cc(N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000476047712 996565942 /nfs/dbraw/zinc/56/59/42/996565942.db2.gz GREWYQUZHDOICB-OALUTQOASA-N 1 0 413.547 3.630 20 5 HHBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000484291845 996683184 /nfs/dbraw/zinc/68/31/84/996683184.db2.gz NPGYNKVZMWUAFC-HOCLYGCPSA-N 1 0 403.504 3.611 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484345255 996717335 /nfs/dbraw/zinc/71/73/35/996717335.db2.gz WJTBFPIGMLZUPB-OAHLLOKOSA-N 1 0 403.401 3.842 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2Oc2ccccc2C)c([N+](=O)[O-])c1 ZINC000484653808 996991173 /nfs/dbraw/zinc/99/11/73/996991173.db2.gz PFKRDXDUDNDGPF-RXVVDRJESA-N 1 0 413.474 3.830 20 5 HHBDRO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000484705316 997044110 /nfs/dbraw/zinc/04/41/10/997044110.db2.gz QHHGTAWSTOYPGA-OFJJUDJNSA-N 1 0 412.515 3.646 20 5 HHBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000484776630 997124144 /nfs/dbraw/zinc/12/41/44/997124144.db2.gz PBIPVEASBIZPHW-UHFFFAOYSA-N 1 0 424.545 3.968 20 5 HHBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485093589 997469163 /nfs/dbraw/zinc/46/91/63/997469163.db2.gz CNLIOIFEMRPFDI-UHFFFAOYSA-N 1 0 405.401 3.722 20 5 HHBDRO COc1ccccc1-c1csc(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000485128528 997513123 /nfs/dbraw/zinc/51/31/23/997513123.db2.gz NZWJHFWZNVJLIH-UHFFFAOYSA-N 1 0 413.503 3.803 20 5 HHBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000477075363 997726923 /nfs/dbraw/zinc/72/69/23/997726923.db2.gz MLLSLDAFQYZFTN-CYFREDJKSA-N 1 0 422.529 3.910 20 5 HHBDRO CN(C(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000485342169 997760911 /nfs/dbraw/zinc/76/09/11/997760911.db2.gz CFXCWZNNVSKEBH-NFBKMPQASA-N 1 0 422.529 3.544 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000477288773 997972619 /nfs/dbraw/zinc/97/26/19/997972619.db2.gz CKGWQWRXAFNODU-SFHVURJKSA-N 1 0 419.428 3.837 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000485580524 998029581 /nfs/dbraw/zinc/02/95/81/998029581.db2.gz PHUZPBBPWWIAJR-UKRRQHHQSA-N 1 0 405.401 3.589 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477493490 998214706 /nfs/dbraw/zinc/21/47/06/998214706.db2.gz WUBLELLHHOTXBI-ADLMAVQZSA-N 1 0 424.835 3.531 20 5 HHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477607404 998324278 /nfs/dbraw/zinc/32/42/78/998324278.db2.gz ARGJIEBDYLLAQF-GASCZTMLSA-N 1 0 409.914 3.518 20 5 HHBDRO CC(C)(C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000477753394 998499814 /nfs/dbraw/zinc/49/98/14/998499814.db2.gz FOHXKMJOZDGXRK-UHFFFAOYSA-N 1 0 411.502 3.715 20 5 HHBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486195194 998635620 /nfs/dbraw/zinc/63/56/20/998635620.db2.gz OUAICZYEMOXCOS-MOPGFXCFSA-N 1 0 409.486 3.873 20 5 HHBDRO Cc1cc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)ccc1OCC[NH+]1CCCC1 ZINC000486372569 998733214 /nfs/dbraw/zinc/73/32/14/998733214.db2.gz LLJLDYFVJCCAJC-UHFFFAOYSA-N 1 0 419.428 3.837 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478056880 998740164 /nfs/dbraw/zinc/74/01/64/998740164.db2.gz YOHNZZMEYOYSFO-QGZVFWFLSA-N 1 0 418.538 3.518 20 5 HHBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486436342 998767183 /nfs/dbraw/zinc/76/71/83/998767183.db2.gz LQSVEVPKXCOPIJ-KRWDZBQOSA-N 1 0 411.502 3.976 20 5 HHBDRO Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1[N+](=O)[O-] ZINC000486464988 998782051 /nfs/dbraw/zinc/78/20/51/998782051.db2.gz VXQLEPUTVNJHMS-XMSQKQJNSA-N 1 0 405.458 3.902 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000486567662 998831226 /nfs/dbraw/zinc/83/12/26/998831226.db2.gz QFIQUQWZGOPSII-UHFFFAOYSA-N 1 0 403.429 3.539 20 5 HHBDRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000478327312 998890367 /nfs/dbraw/zinc/89/03/67/998890367.db2.gz XDQGQCGOSWIFHR-UHFFFAOYSA-N 1 0 424.270 3.635 20 5 HHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000486828332 998959632 /nfs/dbraw/zinc/95/96/32/998959632.db2.gz UISZBBJIVHVTOM-IUSZMWJPSA-N 1 0 406.446 3.550 20 5 HHBDRO COC(=O)c1cc(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486856881 998976708 /nfs/dbraw/zinc/97/67/08/998976708.db2.gz IOQOXWFFOYAPSU-GASCZTMLSA-N 1 0 420.510 3.569 20 5 HHBDRO COC(=O)c1cc(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)c(C)c([N+](=O)[O-])c1 ZINC000486859962 998977984 /nfs/dbraw/zinc/97/79/84/998977984.db2.gz QXVXATLENKXGQN-UHFFFAOYSA-N 1 0 420.510 3.569 20 5 HHBDRO C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487423094 999171384 /nfs/dbraw/zinc/17/13/84/999171384.db2.gz YKDLIMGVYHNWNW-AEFFLSMTSA-N 1 0 406.486 3.645 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000478880052 999190939 /nfs/dbraw/zinc/19/09/39/999190939.db2.gz CDPAABPCSDHTRV-UHFFFAOYSA-N 1 0 404.364 3.661 20 5 HHBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000487587254 999220044 /nfs/dbraw/zinc/22/00/44/999220044.db2.gz DLSHEYOOVPXHOC-UHFFFAOYSA-N 1 0 424.545 3.710 20 5 HHBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487910112 999312275 /nfs/dbraw/zinc/31/22/75/999312275.db2.gz GGFXWSFTCBQHBO-SFHVURJKSA-N 1 0 411.506 3.509 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000479436703 999416375 /nfs/dbraw/zinc/41/63/75/999416375.db2.gz KNLOVYBDGGLHLO-SFHVURJKSA-N 1 0 402.539 3.823 20 5 HHBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000479471080 999431626 /nfs/dbraw/zinc/43/16/26/999431626.db2.gz LDIBPCYLQGXFLA-IAGOWNOFSA-N 1 0 402.539 3.633 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000488482171 999502754 /nfs/dbraw/zinc/50/27/54/999502754.db2.gz RBMRHNZDXZKRLU-LAUBAEHRSA-N 1 0 406.486 3.576 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000488681816 999570559 /nfs/dbraw/zinc/57/05/59/999570559.db2.gz JCXUZASCYCMDJP-HNNXBMFYSA-N 1 0 411.449 3.924 20 5 HHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000488839644 999623968 /nfs/dbraw/zinc/62/39/68/999623968.db2.gz MTQBYHQAHPWHBO-INIZCTEOSA-N 1 0 421.563 3.812 20 5 HHBDRO C[N@@H+]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C2(CCCCC2)C1 ZINC000480051869 999702225 /nfs/dbraw/zinc/70/22/25/999702225.db2.gz AJDWOXDWNUZADK-UHFFFAOYSA-N 1 0 400.504 3.809 20 5 HHBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000480052132 999702537 /nfs/dbraw/zinc/70/25/37/999702537.db2.gz BVAHZUGUCTYCSS-UHFFFAOYSA-N 1 0 414.506 3.683 20 5 HHBDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000489140524 999710348 /nfs/dbraw/zinc/71/03/48/999710348.db2.gz PXJWJZZTIYABAQ-QUCCMNQESA-N 1 0 415.465 3.923 20 5 HHBDRO Cc1ccc([C@@H](C)NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000489144457 999711238 /nfs/dbraw/zinc/71/12/38/999711238.db2.gz XVQUBCLILCNURJ-QGZVFWFLSA-N 1 0 414.506 3.794 20 5 HHBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000489166259 999714999 /nfs/dbraw/zinc/71/49/99/999714999.db2.gz IGGTUURJRHMGAQ-AZUAARDMSA-N 1 0 410.518 3.828 20 5 HHBDRO CC(C)[C@H]1CN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000489347999 999750019 /nfs/dbraw/zinc/75/00/19/999750019.db2.gz CBPJRKRMRBCJLN-IIBYNOLFSA-N 1 0 411.506 3.575 20 5 HHBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCSC1 ZINC000480265446 999759405 /nfs/dbraw/zinc/75/94/05/999759405.db2.gz XVWNLXYLYASMIW-HXUWFJFHSA-N 1 0 400.504 3.506 20 5 HHBDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000489422171 999764078 /nfs/dbraw/zinc/76/40/78/999764078.db2.gz LFEBYWALRLBGNL-QGZVFWFLSA-N 1 0 411.506 3.555 20 5 HHBDRO O=[N+]([O-])c1cc(Br)cnc1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000480557552 999826124 /nfs/dbraw/zinc/82/61/24/999826124.db2.gz SROKOPTWVMTATD-UHFFFAOYSA-N 1 0 423.233 3.970 20 5 HHBDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cn2)C[C@@H](C)O1 ZINC000480608163 999839580 /nfs/dbraw/zinc/83/95/80/999839580.db2.gz GDVLYBPFIFVFCA-LZJOCLMNSA-N 1 0 410.518 3.714 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000480671861 999855736 /nfs/dbraw/zinc/85/57/36/999855736.db2.gz SWHWXHLPQRBLIV-JKSUJKDBSA-N 1 0 406.504 3.815 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000489961626 999869650 /nfs/dbraw/zinc/86/96/50/999869650.db2.gz YYDQHLIBDSJXAB-UHFFFAOYSA-N 1 0 421.563 3.719 20 5 HHBDRO C[C@]1(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC[N@@H+]1Cc1ccccc1 ZINC000490512278 999969919 /nfs/dbraw/zinc/96/99/19/999969919.db2.gz CWNGTVZCFNJMKF-HSZRJFAPSA-N 1 0 406.486 3.790 20 5 HHBDRO COc1cc(C[N@@H+]2CCCC3(CCOCC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490567608 999978344 /nfs/dbraw/zinc/97/83/44/999978344.db2.gz MCJWPTLAKKQQPM-UHFFFAOYSA-N 1 0 400.422 3.640 20 5 HHBDRO CO[C@@H](C)c1nc(CN2CCCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)cs1 ZINC000490569935 999978783 /nfs/dbraw/zinc/97/87/83/999978783.db2.gz RBFWEVORYFZXPV-AWEZNQCLSA-N 1 0 408.499 3.606 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCC[NH+](CC)CC)CC1 ZINC000491072904 1000042357 /nfs/dbraw/zinc/04/23/57/1000042357.db2.gz BLFCCLWUYZLJIC-UHFFFAOYSA-N 1 0 409.552 3.670 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NCCC[NH+]3CCC(C)CC3)cc2[N+](=O)[O-])CC1 ZINC000492322478 1000121890 /nfs/dbraw/zinc/12/18/90/1000121890.db2.gz ZZPIEXXUMWUQNR-UHFFFAOYSA-N 1 0 402.539 3.683 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH+]2CCC3(CC2)OCCc2ccsc23)c2c(c1)COCO2 ZINC000492349153 1000122727 /nfs/dbraw/zinc/12/27/27/1000122727.db2.gz DZRVPBKPCZKOHS-UHFFFAOYSA-N 1 0 402.472 3.587 20 5 HHBDRO COc1cc(N[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3)C2)cc(OC)c1 ZINC000492727162 1000141453 /nfs/dbraw/zinc/14/14/53/1000141453.db2.gz GLCPNCADJGUZDL-INIZCTEOSA-N 1 0 401.463 3.697 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(c2ccccc2)C2CC[NH+](C)CC2)c1C ZINC000493279846 1000167177 /nfs/dbraw/zinc/16/71/77/1000167177.db2.gz JVZDTIDLSDJGCL-UHFFFAOYSA-N 1 0 403.504 3.501 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000493733365 1000188489 /nfs/dbraw/zinc/18/84/89/1000188489.db2.gz FCENDXOESYHCRC-ORAYPTAESA-N 1 0 402.438 3.788 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493738597 1000189422 /nfs/dbraw/zinc/18/94/22/1000189422.db2.gz VQQATNAWDWBEAJ-CQSZACIVSA-N 1 0 400.422 3.829 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000493923901 1000216213 /nfs/dbraw/zinc/21/62/13/1000216213.db2.gz FUODKCNWGGYKPK-FXAWDEMLSA-N 1 0 405.401 3.630 20 5 HHBDRO COc1cc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)ccc1[N+](=O)[O-] ZINC000504604308 1000288953 /nfs/dbraw/zinc/28/89/53/1000288953.db2.gz CNLIWAIWGAOWNX-UHFFFAOYSA-N 1 0 401.488 3.713 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504894790 1000433841 /nfs/dbraw/zinc/43/38/41/1000433841.db2.gz OEMGRLPFFQEZQD-MAUKXSAKSA-N 1 0 405.520 3.779 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000504899202 1000436045 /nfs/dbraw/zinc/43/60/45/1000436045.db2.gz CEKTUYZXMMSFKK-HNNXBMFYSA-N 1 0 403.504 3.953 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000504911209 1000443012 /nfs/dbraw/zinc/44/30/12/1000443012.db2.gz CADWIKKGUABNLL-GDBMZVCRSA-N 1 0 423.560 3.724 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000504911511 1000443865 /nfs/dbraw/zinc/44/38/65/1000443865.db2.gz HMZBKNOLRUBMAM-VFNWGFHPSA-N 1 0 413.474 3.962 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc(C(=O)N(C)C)c1 ZINC000504920363 1000448957 /nfs/dbraw/zinc/44/89/57/1000448957.db2.gz OAKWUZDBXKNSIQ-GOSISDBHSA-N 1 0 401.532 4.000 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2ccc(C)o2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504921902 1000449498 /nfs/dbraw/zinc/44/94/98/1000449498.db2.gz VYZKVQOTZRYGDR-VQIMIIECSA-N 1 0 403.479 3.619 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000494484862 1000517681 /nfs/dbraw/zinc/51/76/81/1000517681.db2.gz KZGSZNPBQBWBME-RDTXWAMCSA-N 1 0 403.445 3.840 20 5 HHBDRO CC1CC[NH+](CCCCNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000494691603 1000606922 /nfs/dbraw/zinc/60/69/22/1000606922.db2.gz QJCPFPWWPTYCQM-UHFFFAOYSA-N 1 0 416.444 3.925 20 5 HHBDRO C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000494705245 1000613050 /nfs/dbraw/zinc/61/30/50/1000613050.db2.gz ACUNPOHATCZYQC-STQMWFEESA-N 1 0 402.417 3.533 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000494902933 1000721611 /nfs/dbraw/zinc/72/16/11/1000721611.db2.gz KUIGMVMYEKNTAF-ZDUSSCGKSA-N 1 0 402.417 3.533 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000495007851 1000775895 /nfs/dbraw/zinc/77/58/95/1000775895.db2.gz PUAPSEFMBYKQDK-FXAWDEMLSA-N 1 0 408.502 3.932 20 5 HHBDRO C[NH+](C)CCOc1cc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000495028291 1000787916 /nfs/dbraw/zinc/78/79/16/1000787916.db2.gz MJQULLAFHUBLAV-HSZRJFAPSA-N 1 0 406.486 3.809 20 5 HHBDRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000505754327 1001007797 /nfs/dbraw/zinc/00/77/97/1001007797.db2.gz HFOGJTSIMCAXQR-UHFFFAOYSA-N 1 0 410.474 3.591 20 5 HHBDRO O=C(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1cccc(Br)c1 ZINC000495425391 1001007755 /nfs/dbraw/zinc/00/77/55/1001007755.db2.gz ANNLLQMYJCMKFD-QGZVFWFLSA-N 1 0 418.291 3.907 20 5 HHBDRO Cc1cc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc([N+](=O)[O-])c1 ZINC000505806772 1001036589 /nfs/dbraw/zinc/03/65/89/1001036589.db2.gz LDWNCRBMDSTTLH-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000495880997 1001089409 /nfs/dbraw/zinc/08/94/09/1001089409.db2.gz HVQWAVOUKPIQRJ-QGZVFWFLSA-N 1 0 409.552 3.574 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000505919179 1001100735 /nfs/dbraw/zinc/10/07/35/1001100735.db2.gz ONQCTIAUGVMVOM-RBUKOAKNSA-N 1 0 402.539 3.900 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000505919178 1001100837 /nfs/dbraw/zinc/10/08/37/1001100837.db2.gz ONQCTIAUGVMVOM-OALUTQOASA-N 1 0 402.539 3.900 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000505919534 1001101464 /nfs/dbraw/zinc/10/14/64/1001101464.db2.gz SFCCYCARFIGEMH-QZTJIDSGSA-N 1 0 411.506 3.507 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000505925339 1001105307 /nfs/dbraw/zinc/10/53/07/1001105307.db2.gz RLGQUEBXSMLXCW-MSOLQXFVSA-N 1 0 411.506 3.507 20 5 HHBDRO CCCN(CC[NH+](C)C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000496371743 1001167386 /nfs/dbraw/zinc/16/73/86/1001167386.db2.gz GTJQPYLKOUCUQN-UHFFFAOYSA-N 1 0 414.293 3.501 20 5 HHBDRO CN1CC[N@H+](CCCNc2ccc([N+](=O)[O-])c3cnccc23)[C@H](c2ccccc2)C1 ZINC000506057322 1001196618 /nfs/dbraw/zinc/19/66/18/1001196618.db2.gz YEHXYHRQABJEQE-QHCPKHFHSA-N 1 0 405.502 3.934 20 5 HHBDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000506063231 1001199840 /nfs/dbraw/zinc/19/98/40/1001199840.db2.gz DBOGVHVYSDORLH-AWEZNQCLSA-N 1 0 415.471 3.695 20 5 HHBDRO COc1cc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000497201205 1001280502 /nfs/dbraw/zinc/28/05/02/1001280502.db2.gz VDADHYPJXONEAP-SWLSCSKDSA-N 1 0 406.401 3.527 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000497386802 1001327535 /nfs/dbraw/zinc/32/75/35/1001327535.db2.gz MYVDOZZVXMOJAD-KRWDZBQOSA-N 1 0 411.380 3.569 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000497433537 1001362410 /nfs/dbraw/zinc/36/24/10/1001362410.db2.gz YAYAYACRIXNBPW-RTWAWAEBSA-N 1 0 422.529 3.659 20 5 HHBDRO Cc1c(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000497653031 1001473597 /nfs/dbraw/zinc/47/35/97/1001473597.db2.gz UFSNRTSFKAHTNQ-UHFFFAOYSA-N 1 0 424.501 3.534 20 5 HHBDRO Cc1ccc([C@@H](CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000506735677 1001509310 /nfs/dbraw/zinc/50/93/10/1001509310.db2.gz YJTFTCIPZAHJBP-LJQANCHMSA-N 1 0 400.479 3.883 20 5 HHBDRO COc1ccccc1[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+]1CCCC1 ZINC000506817618 1001547167 /nfs/dbraw/zinc/54/71/67/1001547167.db2.gz VGSFRLCLWSMNQZ-HXUWFJFHSA-N 1 0 410.474 3.737 20 5 HHBDRO CCNc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000497880685 1001548256 /nfs/dbraw/zinc/54/82/56/1001548256.db2.gz FFMJICZUMABAPH-UHFFFAOYSA-N 1 0 406.433 3.509 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000498097856 1001640440 /nfs/dbraw/zinc/64/04/40/1001640440.db2.gz JFKCOJILIKBFAB-NRFANRHFSA-N 1 0 408.502 3.619 20 5 HHBDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498170322 1001672757 /nfs/dbraw/zinc/67/27/57/1001672757.db2.gz BXYXSTOJUKJXIG-UHFFFAOYSA-N 1 0 408.433 3.677 20 5 HHBDRO COCC[N@H+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccccc1 ZINC000498270678 1001745600 /nfs/dbraw/zinc/74/56/00/1001745600.db2.gz PVSOYWCSYZWGBB-FQEVSTJZSA-N 1 0 422.485 3.582 20 5 HHBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000498376496 1001807594 /nfs/dbraw/zinc/80/75/94/1001807594.db2.gz ZHVXYCRKEUTMRG-ZBFHGGJFSA-N 1 0 422.279 3.622 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507240385 1001926053 /nfs/dbraw/zinc/92/60/53/1001926053.db2.gz ZEOHYHVBVHVSDM-HXUWFJFHSA-N 1 0 423.513 3.562 20 5 HHBDRO Cc1cccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1[N+](=O)[O-] ZINC000507257836 1001942841 /nfs/dbraw/zinc/94/28/41/1001942841.db2.gz GSPKQCVHKZWPIQ-FQEVSTJZSA-N 1 0 423.513 3.562 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000507262225 1001946504 /nfs/dbraw/zinc/94/65/04/1001946504.db2.gz MFCCNTRWIZVKEX-CQSZACIVSA-N 1 0 416.453 3.646 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000507290387 1001974258 /nfs/dbraw/zinc/97/42/58/1001974258.db2.gz JCDOTPQMNPTONL-RBUKOAKNSA-N 1 0 421.563 3.595 20 5 HHBDRO CN(C(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000507657362 1002255814 /nfs/dbraw/zinc/25/58/14/1002255814.db2.gz CFGLLQYPIITAMJ-UHFFFAOYSA-N 1 0 407.474 3.512 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]CCC2CCS(=O)(=O)CC2)ccc1Oc1ccc(F)cc1 ZINC000507818598 1002364390 /nfs/dbraw/zinc/36/43/90/1002364390.db2.gz HRUWHLIAJYSHNR-UHFFFAOYSA-N 1 0 422.478 3.831 20 5 HHBDRO COc1cc(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508101585 1002626194 /nfs/dbraw/zinc/62/61/94/1002626194.db2.gz JTGQAIRJVFJOOY-NHCUHLMSSA-N 1 0 411.502 3.899 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(CC[NH+]3CCCCC3)CC2)s1 ZINC000508200223 1002734822 /nfs/dbraw/zinc/73/48/22/1002734822.db2.gz VCWLNANYEIPNMS-UHFFFAOYSA-N 1 0 414.575 3.927 20 5 HHBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000508211392 1002743037 /nfs/dbraw/zinc/74/30/37/1002743037.db2.gz QGJDKUBXOACMOA-SFHVURJKSA-N 1 0 402.539 3.779 20 5 HHBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000508341766 1002843783 /nfs/dbraw/zinc/84/37/83/1002843783.db2.gz WHGNSXNIGJOOIQ-KZNAEPCWSA-N 1 0 402.539 3.681 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4cnc5ccccc5c4)CC3)nc2c1 ZINC000499624865 1002993023 /nfs/dbraw/zinc/99/30/23/1002993023.db2.gz JECDGRLBNVWUDS-UHFFFAOYSA-N 1 0 402.458 3.732 20 5 HHBDRO CCC(CC)(CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[NH2+][C@H](C)c1ccccc1 ZINC000499960437 1003279438 /nfs/dbraw/zinc/27/94/38/1003279438.db2.gz VFYZPEBVPRTUIU-MRXNPFEDSA-N 1 0 401.511 3.552 20 5 HHBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000499996571 1003314845 /nfs/dbraw/zinc/31/48/45/1003314845.db2.gz QHTLYWAHNPURDX-ROUUACIJSA-N 1 0 416.566 3.523 20 5 HHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000500124404 1003486456 /nfs/dbraw/zinc/48/64/56/1003486456.db2.gz SKXGSPOHBKLGPL-INIZCTEOSA-N 1 0 414.531 3.845 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000500147490 1003504620 /nfs/dbraw/zinc/50/46/20/1003504620.db2.gz ITTXNVSWZWZBHV-ACJLOTCBSA-N 1 0 407.392 3.864 20 5 HHBDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000509062241 1003524755 /nfs/dbraw/zinc/52/47/55/1003524755.db2.gz CNSOWBGJJMTPMA-IBGZPJMESA-N 1 0 400.479 3.734 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)c1 ZINC000509218653 1003632644 /nfs/dbraw/zinc/63/26/44/1003632644.db2.gz PTODJWZUDOGDPE-UHFFFAOYSA-N 1 0 401.488 3.713 20 5 HHBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 ZINC000500389004 1003684029 /nfs/dbraw/zinc/68/40/29/1003684029.db2.gz XKDKBAHZCBGLDK-GOSISDBHSA-N 1 0 415.515 3.892 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000500400237 1003693391 /nfs/dbraw/zinc/69/33/91/1003693391.db2.gz SHBDZVXHEDPMPI-XCLFUZPHSA-N 1 0 404.850 3.825 20 5 HHBDRO CC(C)Oc1ccc([C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000500570192 1003789603 /nfs/dbraw/zinc/78/96/03/1003789603.db2.gz OGMILFMKENFSBD-OAQYLSRUSA-N 1 0 414.506 3.527 20 5 HHBDRO C[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511824641 1003794986 /nfs/dbraw/zinc/79/49/86/1003794986.db2.gz RVKGPZZDLHDEHE-NQIIRXRSSA-N 1 0 410.518 3.689 20 5 HHBDRO CCCOc1cc(NC(=O)N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1OCCC ZINC000509708130 1004041874 /nfs/dbraw/zinc/04/18/74/1004041874.db2.gz MCSMWHPRTDZYRK-UHFFFAOYSA-N 1 0 420.510 3.732 20 5 HHBDRO C[C@@H]1C[C@H](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000509746103 1004067588 /nfs/dbraw/zinc/06/75/88/1004067588.db2.gz MUWVYMIYBGVGRF-QUCCMNQESA-N 1 0 410.518 3.737 20 5 HHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000512168331 1004072166 /nfs/dbraw/zinc/07/21/66/1004072166.db2.gz VKJDCLPSMJTPQY-QFIPXVFZSA-N 1 0 422.529 3.963 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000509788612 1004097766 /nfs/dbraw/zinc/09/77/66/1004097766.db2.gz KDTCQPHXOAKNDG-MJGOQNOKSA-N 1 0 417.531 3.749 20 5 HHBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000512236549 1004138153 /nfs/dbraw/zinc/13/81/53/1004138153.db2.gz IJDMDZAONYRSPR-LBPRGKRZSA-N 1 0 422.279 3.847 20 5 HHBDRO CC(C)C[C@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000509938111 1004218970 /nfs/dbraw/zinc/21/89/70/1004218970.db2.gz OCHXWBQWAMXPAA-SJLPKXTDSA-N 1 0 413.522 3.869 20 5 HHBDRO C[NH+](C)C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000501233659 1004301226 /nfs/dbraw/zinc/30/12/26/1004301226.db2.gz LPZDSONTXPXAPK-QGZVFWFLSA-N 1 0 408.861 3.532 20 5 HHBDRO CCOc1cc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000501499956 1004469453 /nfs/dbraw/zinc/46/94/53/1004469453.db2.gz IITMMCWYPNQOSR-CABCVRRESA-N 1 0 408.499 3.634 20 5 HHBDRO CCOc1cc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000501499959 1004469550 /nfs/dbraw/zinc/46/95/50/1004469550.db2.gz IITMMCWYPNQOSR-LSDHHAIUSA-N 1 0 408.499 3.634 20 5 HHBDRO C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512693963 1004498961 /nfs/dbraw/zinc/49/89/61/1004498961.db2.gz LUYBDPPJFGCJAI-SJLPKXTDSA-N 1 0 400.523 3.922 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000512893162 1004659138 /nfs/dbraw/zinc/65/91/38/1004659138.db2.gz APJURNLOENJOKH-WMZOPIPTSA-N 1 0 400.475 3.945 20 5 HHBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000510542753 1004675596 /nfs/dbraw/zinc/67/55/96/1004675596.db2.gz BWYHLZLSOQVBHO-QKKBWIMNSA-N 1 0 408.458 3.578 20 5 HHBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[NH+](C)C ZINC000510545228 1004678502 /nfs/dbraw/zinc/67/85/02/1004678502.db2.gz GNKJBYCKYSVRDL-FZKQIMNGSA-N 1 0 407.417 3.926 20 5 HHBDRO COc1ccc(-c2ccc(C[NH+]3CCC(N4CCO[C@H](C)C4)CC3)o2)c([N+](=O)[O-])c1 ZINC000510561183 1004704723 /nfs/dbraw/zinc/70/47/23/1004704723.db2.gz UYEYLYNOGRUKHB-MRXNPFEDSA-N 1 0 415.490 3.549 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000510656352 1004782180 /nfs/dbraw/zinc/78/21/80/1004782180.db2.gz LJOUOQVQOQFONR-HNNXBMFYSA-N 1 0 415.469 3.759 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Br)c(F)c1 ZINC000501877584 1004792151 /nfs/dbraw/zinc/79/21/51/1004792151.db2.gz YPUJEQHHUMIPKP-UHFFFAOYSA-N 1 0 410.243 3.957 20 5 HHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)ccc1Oc1ccc(F)cc1 ZINC000510692839 1004801089 /nfs/dbraw/zinc/80/10/89/1004801089.db2.gz JFUIPTFTSLZGQR-IBGZPJMESA-N 1 0 415.465 3.823 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]CC1CCOCC1)c1ccccc1 ZINC000501969422 1004837519 /nfs/dbraw/zinc/83/75/19/1004837519.db2.gz OBGDWPAWUIGSRW-LJQANCHMSA-N 1 0 403.866 3.944 20 5 HHBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c1 ZINC000510773893 1004845242 /nfs/dbraw/zinc/84/52/42/1004845242.db2.gz LFHUTUBZTCAMTG-MRXNPFEDSA-N 1 0 402.499 3.567 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc2n[nH]cc2c1 ZINC000513202670 1004858760 /nfs/dbraw/zinc/85/87/60/1004858760.db2.gz XRHRTRKGAYMSAP-JTQLQIEISA-N 1 0 418.251 3.523 20 5 HHBDRO COc1ccccc1O[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000513364985 1004927121 /nfs/dbraw/zinc/92/71/21/1004927121.db2.gz CZJVOYHUCTZORZ-GOSISDBHSA-N 1 0 413.474 3.784 20 5 HHBDRO CS[C@@H]1CN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000502161751 1004930818 /nfs/dbraw/zinc/93/08/18/1004930818.db2.gz AMAWUFHAPLXMSK-VQTJNVASSA-N 1 0 414.531 3.637 20 5 HHBDRO COc1cc(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513472448 1004981764 /nfs/dbraw/zinc/98/17/64/1004981764.db2.gz FMSAFSNTAIEHIA-NRFANRHFSA-N 1 0 411.502 3.851 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CCC(C[NH+](C)C)CC3)cc2[N+](=O)[O-])n1 ZINC000511050747 1004997910 /nfs/dbraw/zinc/99/79/10/1004997910.db2.gz XKXVIAITMXNKKH-UHFFFAOYSA-N 1 0 420.560 3.925 20 5 HHBDRO CC1(C)C[C@H]([NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000511055106 1004999837 /nfs/dbraw/zinc/99/98/37/1004999837.db2.gz VHPUAYOIMHQQFC-KKSFZXQISA-N 1 0 409.486 3.587 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)c1 ZINC000511087818 1005012694 /nfs/dbraw/zinc/01/26/94/1005012694.db2.gz BWAVLYNBHCKBEV-UWJYYQICSA-N 1 0 406.429 3.896 20 5 HHBDRO COC1CC[NH+](C2(CNC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CCCC2)CC1 ZINC000502433717 1005074487 /nfs/dbraw/zinc/07/44/87/1005074487.db2.gz WLXBJBTZZMDZBW-INIZCTEOSA-N 1 0 421.563 3.615 20 5 HHBDRO Cn1ccnc1[C@@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000513716980 1005094649 /nfs/dbraw/zinc/09/46/49/1005094649.db2.gz KOLWVUGUJJIPIX-QFIPXVFZSA-N 1 0 419.529 3.844 20 5 HHBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000513728368 1005099426 /nfs/dbraw/zinc/09/94/26/1005099426.db2.gz AFFZDHWBVPSFHT-UHFFFAOYSA-N 1 0 407.417 3.968 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000502588784 1005130485 /nfs/dbraw/zinc/13/04/85/1005130485.db2.gz NTBPFSGCXNELQG-QGZVFWFLSA-N 1 0 412.490 3.925 20 5 HHBDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513830408 1005149828 /nfs/dbraw/zinc/14/98/28/1005149828.db2.gz WMXXMIWDRVSKAL-BUVFEPMLSA-N 1 0 420.513 3.734 20 5 HHBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000502695079 1005183043 /nfs/dbraw/zinc/18/30/43/1005183043.db2.gz QHJTXBMGPCIVTL-UHFFFAOYSA-N 1 0 414.531 3.893 20 5 HHBDRO CC1CC[NH+](C2CCC(NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)CC2)CC1 ZINC000502774030 1005211616 /nfs/dbraw/zinc/21/16/16/1005211616.db2.gz XOYZPPUVYDBXRI-UHFFFAOYSA-N 1 0 400.523 3.706 20 5 HHBDRO CCC1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CC[NH+](Cc2ccccc2)CC1 ZINC000514045839 1005241697 /nfs/dbraw/zinc/24/16/97/1005241697.db2.gz IGKYSKKNXZGIPO-UHFFFAOYSA-N 1 0 411.502 3.782 20 5 HHBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000502908970 1005270116 /nfs/dbraw/zinc/27/01/16/1005270116.db2.gz DAVCVQVVSSYJEF-KRWDZBQOSA-N 1 0 412.490 3.971 20 5 HHBDRO CCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502955321 1005291134 /nfs/dbraw/zinc/29/11/34/1005291134.db2.gz KBWIVXBCECSAJV-KRWDZBQOSA-N 1 0 412.490 3.971 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514188720 1005304320 /nfs/dbraw/zinc/30/43/20/1005304320.db2.gz HAUORRUVNPHHOU-UHFFFAOYSA-N 1 0 411.380 3.539 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)n2)c1 ZINC000511760712 1005311478 /nfs/dbraw/zinc/31/14/78/1005311478.db2.gz HEGWTLHPXXAIPY-AQNXPRMDSA-N 1 0 406.442 3.649 20 5 HHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000511766239 1005314900 /nfs/dbraw/zinc/31/49/00/1005314900.db2.gz DBYMSVDSTSZHAT-JOCHJYFZSA-N 1 0 420.513 3.966 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000503855548 1005500911 /nfs/dbraw/zinc/50/09/11/1005500911.db2.gz LAKXDVJFXQQUSS-WBVHZDCISA-N 1 0 415.515 3.695 20 5 HHBDRO COc1ccccc1C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000531129765 1006008085 /nfs/dbraw/zinc/00/80/85/1006008085.db2.gz LDLPQYGSRZVLRE-MAUKXSAKSA-N 1 0 415.490 3.796 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534222733 1006217748 /nfs/dbraw/zinc/21/77/48/1006217748.db2.gz SUQVNRKTDDHOMP-VBKZILBWSA-N 1 0 421.856 3.575 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534251550 1006259346 /nfs/dbraw/zinc/25/93/46/1006259346.db2.gz OYILJOAWLQCEJO-KRWDZBQOSA-N 1 0 407.474 3.598 20 5 HHBDRO C[C@@H](Cc1ccsc1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000515096496 1006286603 /nfs/dbraw/zinc/28/66/03/1006286603.db2.gz LWLQWSRRSSUJCF-JTQLQIEISA-N 1 0 402.257 3.982 20 5 HHBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000531681752 1006352558 /nfs/dbraw/zinc/35/25/58/1006352558.db2.gz HZRAJFPLDKWEPO-CQSZACIVSA-N 1 0 411.549 3.646 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1[N+](=O)[O-] ZINC000531694819 1006358652 /nfs/dbraw/zinc/35/86/52/1006358652.db2.gz MRQACGOOHZMQFG-MRXNPFEDSA-N 1 0 405.520 3.582 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCN(c4ncccc4F)C3)o2)c([N+](=O)[O-])c1 ZINC000531783871 1006425049 /nfs/dbraw/zinc/42/50/49/1006425049.db2.gz BNACYNOSOAJFGB-CQSZACIVSA-N 1 0 412.421 3.766 20 5 HHBDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000534472985 1006458563 /nfs/dbraw/zinc/45/85/63/1006458563.db2.gz KXLAOHRQXLUTIT-SFHVURJKSA-N 1 0 418.457 3.968 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000531882265 1006496774 /nfs/dbraw/zinc/49/67/74/1006496774.db2.gz ZCQXMQWZZPCXPQ-KBXCAEBGSA-N 1 0 422.407 3.822 20 5 HHBDRO COCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000531973643 1006554583 /nfs/dbraw/zinc/55/45/83/1006554583.db2.gz NHPQHIBPLFOIHJ-AWEZNQCLSA-N 1 0 403.504 3.611 20 5 HHBDRO COCC[N@@H+]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000532014181 1006576240 /nfs/dbraw/zinc/57/62/40/1006576240.db2.gz GOYFPOMVWBOQSG-UHFFFAOYSA-N 1 0 415.515 3.540 20 5 HHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000538592373 1006861295 /nfs/dbraw/zinc/86/12/95/1006861295.db2.gz SFDKPWBAUAOSFU-HOTGVXAUSA-N 1 0 409.552 3.716 20 5 HHBDRO CC[N@@H+]1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000532521133 1006958946 /nfs/dbraw/zinc/95/89/46/1006958946.db2.gz MXSJCTIMGAVEHV-FQEVSTJZSA-N 1 0 416.909 3.956 20 5 HHBDRO COc1cccc([C@@H]2[C@H](Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC[N@@H+]2C2CC2)c1 ZINC000538674871 1006959826 /nfs/dbraw/zinc/95/98/26/1006959826.db2.gz GLJVFSXHUAUBEN-WZONZLPQSA-N 1 0 422.485 3.878 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCN(C/C=C\c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000532558421 1006991747 /nfs/dbraw/zinc/99/17/47/1006991747.db2.gz GXEYXSGKWQKIPV-TWGQIWQCSA-N 1 0 408.502 3.563 20 5 HHBDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(-c3ccc(OC)cc3[N+](=O)[O-])o1)CC2 ZINC000538737274 1007020405 /nfs/dbraw/zinc/02/04/05/1007020405.db2.gz SPIXWJWXSQMFIA-SFTDATJTSA-N 1 0 416.474 3.615 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H]2Cn2c(C)nc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000538762393 1007047757 /nfs/dbraw/zinc/04/77/57/1007047757.db2.gz NQKPPVNLXQTNFZ-QGZVFWFLSA-N 1 0 410.474 3.935 20 5 HHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)n1 ZINC000516389639 1007056404 /nfs/dbraw/zinc/05/64/04/1007056404.db2.gz SYOAZWMCQNFVOX-IAGOWNOFSA-N 1 0 414.441 3.687 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 ZINC000535017602 1007066492 /nfs/dbraw/zinc/06/64/92/1007066492.db2.gz QWNOMZVWCAJINY-OAHLLOKOSA-N 1 0 416.909 3.932 20 5 HHBDRO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000532703549 1007117885 /nfs/dbraw/zinc/11/78/85/1007117885.db2.gz ACQLSVAIUKKSCU-HXUWFJFHSA-N 1 0 417.469 3.929 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1)CC1CC1 ZINC000538934929 1007219212 /nfs/dbraw/zinc/21/92/12/1007219212.db2.gz TYUIQNFLZDNVNO-UHFFFAOYSA-N 1 0 412.534 3.910 20 5 HHBDRO O=C(Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000538937526 1007220866 /nfs/dbraw/zinc/22/08/66/1007220866.db2.gz WNCRANGHPQNHAU-UHFFFAOYSA-N 1 0 420.469 3.805 20 5 HHBDRO COc1cc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000516686320 1007233030 /nfs/dbraw/zinc/23/30/30/1007233030.db2.gz VFQGIITUSNLDLU-HIFRSBDPSA-N 1 0 417.428 3.603 20 5 HHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000516767459 1007280916 /nfs/dbraw/zinc/28/09/16/1007280916.db2.gz QFMCEUJZXQJDAH-HNNXBMFYSA-N 1 0 405.495 3.805 20 5 HHBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000539020445 1007317188 /nfs/dbraw/zinc/31/71/88/1007317188.db2.gz KFXBJQWENFZRKF-OAHLLOKOSA-N 1 0 415.471 3.517 20 5 HHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000532954755 1007322184 /nfs/dbraw/zinc/32/21/84/1007322184.db2.gz YOSRSPJQDPEYKS-UGKGYDQZSA-N 1 0 408.502 3.753 20 5 HHBDRO CC[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000539045266 1007342117 /nfs/dbraw/zinc/34/21/17/1007342117.db2.gz IBDABYRSWMBBGV-NRFANRHFSA-N 1 0 417.531 3.761 20 5 HHBDRO C[C@@H](C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000516920112 1007343978 /nfs/dbraw/zinc/34/39/78/1007343978.db2.gz FXZFOTLDGUMGCT-CQSZACIVSA-N 1 0 402.882 3.742 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000532976470 1007346385 /nfs/dbraw/zinc/34/63/85/1007346385.db2.gz CECZZNPORATXCY-ZBFHGGJFSA-N 1 0 401.438 3.634 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000532977798 1007347939 /nfs/dbraw/zinc/34/79/39/1007347939.db2.gz KRBHPMHYHRVYII-UHFFFAOYSA-N 1 0 415.421 3.575 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000539050937 1007348498 /nfs/dbraw/zinc/34/84/98/1007348498.db2.gz UKNHQWGEICJBBM-CHWSQXEVSA-N 1 0 405.442 3.608 20 5 HHBDRO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000539053792 1007349705 /nfs/dbraw/zinc/34/97/05/1007349705.db2.gz HAASIVHQIIIFDL-QZTJIDSGSA-N 1 0 407.470 3.724 20 5 HHBDRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000539069238 1007361208 /nfs/dbraw/zinc/36/12/08/1007361208.db2.gz SQAHIFHRPFTMDQ-HNNXBMFYSA-N 1 0 405.882 3.654 20 5 HHBDRO C[C@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000539090813 1007379847 /nfs/dbraw/zinc/37/98/47/1007379847.db2.gz IRRQFZRWLURYNY-YWZLYKJASA-N 1 0 417.531 3.517 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539091646 1007380635 /nfs/dbraw/zinc/38/06/35/1007380635.db2.gz IKYWZEHBJSRUHG-PEBXRYMYSA-N 1 0 411.458 3.824 20 5 HHBDRO O=C1C[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1Cc1ccccc1 ZINC000535341080 1007394134 /nfs/dbraw/zinc/39/41/34/1007394134.db2.gz QCGDSVWQUPHQMR-GOSISDBHSA-N 1 0 405.454 3.993 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000539220708 1007512502 /nfs/dbraw/zinc/51/25/02/1007512502.db2.gz HRCBBCYCHXKLIW-GFCCVEGCSA-N 1 0 409.389 3.884 20 5 HHBDRO C[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1[N+](=O)[O-] ZINC000539239640 1007532291 /nfs/dbraw/zinc/53/22/91/1007532291.db2.gz IZXVOEAVWDCBSN-OAHLLOKOSA-N 1 0 402.520 3.929 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000517344169 1007582836 /nfs/dbraw/zinc/58/28/36/1007582836.db2.gz KORHKPFRZVKWGL-HNNXBMFYSA-N 1 0 411.458 3.628 20 5 HHBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000533298401 1007613631 /nfs/dbraw/zinc/61/36/31/1007613631.db2.gz ZLEJNZPPVKRRQE-HXUWFJFHSA-N 1 0 420.469 3.920 20 5 HHBDRO C[NH+](C)C1CN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 ZINC000539319218 1007617934 /nfs/dbraw/zinc/61/79/34/1007617934.db2.gz SKXGKLDDRBVSGT-WJDWOHSUSA-N 1 0 422.510 3.908 20 5 HHBDRO COc1ccc(C[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000535628380 1007630687 /nfs/dbraw/zinc/63/06/87/1007630687.db2.gz PGFJSKHFHVBYMN-HZPDHXFCSA-N 1 0 415.490 3.750 20 5 HHBDRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000539375111 1007680065 /nfs/dbraw/zinc/68/00/65/1007680065.db2.gz JJFOBNDULJMJTB-UHFFFAOYSA-N 1 0 422.485 3.523 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000533386947 1007699693 /nfs/dbraw/zinc/69/96/93/1007699693.db2.gz RWQKIWUYGZNGSR-INIZCTEOSA-N 1 0 404.492 3.706 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535679596 1007707075 /nfs/dbraw/zinc/70/70/75/1007707075.db2.gz JRLMBTLKBKKBFP-VLIAUNLRSA-N 1 0 421.856 3.575 20 5 HHBDRO COc1cc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(SC)cc1OC ZINC000533431921 1007744008 /nfs/dbraw/zinc/74/40/08/1007744008.db2.gz TYXLMQYGNBNXPE-UHFFFAOYSA-N 1 0 419.503 3.795 20 5 HHBDRO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000539510946 1007821092 /nfs/dbraw/zinc/82/10/92/1007821092.db2.gz UZJXPYXRAGSCPP-LAUBAEHRSA-N 1 0 405.502 3.920 20 5 HHBDRO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533516578 1007836014 /nfs/dbraw/zinc/83/60/14/1007836014.db2.gz TXMDYMJZKGDFQE-CQSZACIVSA-N 1 0 410.430 3.599 20 5 HHBDRO O=C1C[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1Cc1ccccc1 ZINC000533893499 1008187002 /nfs/dbraw/zinc/18/70/02/1008187002.db2.gz ZJAGZJXAPKWENT-SFHVURJKSA-N 1 0 405.454 3.993 20 5 HHBDRO CC[NH+](CC)CCOc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000533913081 1008200741 /nfs/dbraw/zinc/20/07/41/1008200741.db2.gz JVVUTOOLCYVOOL-UHFFFAOYSA-N 1 0 410.474 3.978 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000540083700 1008278380 /nfs/dbraw/zinc/27/83/80/1008278380.db2.gz CNXNCVIKDBYPEV-AWEZNQCLSA-N 1 0 412.421 3.938 20 5 HHBDRO Cc1c([C@H](C)[NH2+]CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000540179097 1008324907 /nfs/dbraw/zinc/32/49/07/1008324907.db2.gz MLUNWEBEMABFSS-INIZCTEOSA-N 1 0 416.909 3.556 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000540183087 1008326253 /nfs/dbraw/zinc/32/62/53/1008326253.db2.gz POYUZIKVTWBTCD-ZDUSSCGKSA-N 1 0 417.416 3.889 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1)CC(C)C ZINC000540300920 1008372719 /nfs/dbraw/zinc/37/27/19/1008372719.db2.gz IEEXTVAJLAZTSL-UHFFFAOYSA-N 1 0 421.538 3.832 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000540342561 1008389667 /nfs/dbraw/zinc/38/96/67/1008389667.db2.gz WJJPQUXGBYDSTN-QFIPXVFZSA-N 1 0 413.474 3.990 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000540347657 1008391645 /nfs/dbraw/zinc/39/16/45/1008391645.db2.gz MFPRNHJQPVEANB-LBPRGKRZSA-N 1 0 409.389 3.884 20 5 HHBDRO COc1cc([C@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1OC(C)C ZINC000540354851 1008396006 /nfs/dbraw/zinc/39/60/06/1008396006.db2.gz SZINDJNVGGEEGI-HNNXBMFYSA-N 1 0 413.474 3.631 20 5 HHBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(OCC(F)(F)F)cc1 ZINC000540363227 1008400290 /nfs/dbraw/zinc/40/02/90/1008400290.db2.gz OKTNIDBEMKVROR-ZDUSSCGKSA-N 1 0 423.391 3.776 20 5 HHBDRO Cc1cc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000518799578 1008424627 /nfs/dbraw/zinc/42/46/27/1008424627.db2.gz JYZXNQPYBPTDOV-OAHLLOKOSA-N 1 0 400.445 3.527 20 5 HHBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000540428807 1008429432 /nfs/dbraw/zinc/42/94/32/1008429432.db2.gz CSBZITACOBJPEJ-LBPRGKRZSA-N 1 0 419.388 3.636 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 ZINC000540438679 1008434599 /nfs/dbraw/zinc/43/45/99/1008434599.db2.gz RGPUEKGOZUOPKS-HNNXBMFYSA-N 1 0 406.442 3.955 20 5 HHBDRO CCc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000519054632 1008512667 /nfs/dbraw/zinc/51/26/67/1008512667.db2.gz PQVKEFIIHURGIW-AUUYWEPGSA-N 1 0 419.909 3.997 20 5 HHBDRO CCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545475847 1008582108 /nfs/dbraw/zinc/58/21/08/1008582108.db2.gz QECZDAISSSZWTE-FQEVSTJZSA-N 1 0 419.485 3.517 20 5 HHBDRO CCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545476300 1008583587 /nfs/dbraw/zinc/58/35/87/1008583587.db2.gz WPHRRWCNUSEJCG-JOCHJYFZSA-N 1 0 419.485 3.517 20 5 HHBDRO CCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545476301 1008583987 /nfs/dbraw/zinc/58/39/87/1008583987.db2.gz WPHRRWCNUSEJCG-QFIPXVFZSA-N 1 0 419.485 3.517 20 5 HHBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000549099858 1008664429 /nfs/dbraw/zinc/66/44/29/1008664429.db2.gz RHPGEKWOYJHHRI-LJQANCHMSA-N 1 0 400.479 3.599 20 5 HHBDRO CCN1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549116255 1008683038 /nfs/dbraw/zinc/68/30/38/1008683038.db2.gz CRJRSEBZHMVLCB-FXAWDEMLSA-N 1 0 409.408 3.946 20 5 HHBDRO CCN1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549116259 1008683242 /nfs/dbraw/zinc/68/32/42/1008683242.db2.gz CRJRSEBZHMVLCB-XLIONFOSSA-N 1 0 409.408 3.946 20 5 HHBDRO C[N@@H+]1CCCN(c2ccc(-c3noc(-c4cc(Cl)cc([N+](=O)[O-])c4)n3)cn2)CC1 ZINC000545658992 1008754180 /nfs/dbraw/zinc/75/41/80/1008754180.db2.gz VTRFSYPEIYLENA-UHFFFAOYSA-N 1 0 414.853 3.502 20 5 HHBDRO C[N@@H+]1CCCN(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])cn4)n3)cc2Cl)CC1 ZINC000545769833 1008857892 /nfs/dbraw/zinc/85/78/92/1008857892.db2.gz PVKSKJUYZZAOHW-UHFFFAOYSA-N 1 0 414.853 3.502 20 5 HHBDRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000519507376 1008878679 /nfs/dbraw/zinc/87/86/79/1008878679.db2.gz VQNXNBQQLOJTHV-UHFFFAOYSA-N 1 0 402.476 3.723 20 5 HHBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000543312731 1008892320 /nfs/dbraw/zinc/89/23/20/1008892320.db2.gz KUAHZZHRAKELRG-JKSUJKDBSA-N 1 0 405.907 3.554 20 5 HHBDRO CSc1ccc([C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000519562147 1008905889 /nfs/dbraw/zinc/90/58/89/1008905889.db2.gz YNJOCXCVRILPGF-FOIQADDNSA-N 1 0 416.547 3.926 20 5 HHBDRO C[C@@H]1CC(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000519787399 1009006134 /nfs/dbraw/zinc/00/61/34/1009006134.db2.gz DCQMAAGAHIVDFO-VXGBXAGGSA-N 1 0 418.275 3.883 20 5 HHBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000549444143 1009033838 /nfs/dbraw/zinc/03/38/38/1009033838.db2.gz ZRESINYBQVZCMD-SFHVURJKSA-N 1 0 412.538 3.822 20 5 HHBDRO CNc1ccc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000546012390 1009047702 /nfs/dbraw/zinc/04/77/02/1009047702.db2.gz CAHWECPYCWPLCH-QGZVFWFLSA-N 1 0 410.396 3.688 20 5 HHBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000519884485 1009051453 /nfs/dbraw/zinc/05/14/53/1009051453.db2.gz ABMCWOIYGHIVNX-UHFFFAOYSA-N 1 0 413.305 3.834 20 5 HHBDRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)c(C)c2c1 ZINC000543511791 1009101443 /nfs/dbraw/zinc/10/14/43/1009101443.db2.gz FVVORVJBJNJBQJ-AWEZNQCLSA-N 1 0 409.442 3.898 20 5 HHBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2ccncc2)c1 ZINC000543592991 1009198848 /nfs/dbraw/zinc/19/88/48/1009198848.db2.gz AAHJZOPQDMTJRW-MRXNPFEDSA-N 1 0 411.483 3.781 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000520150526 1009301198 /nfs/dbraw/zinc/30/11/98/1009301198.db2.gz FZUGUFXLRMIMCA-SFHVURJKSA-N 1 0 402.539 3.681 20 5 HHBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc2ccccc2c2cccnc12 ZINC000543835367 1009398003 /nfs/dbraw/zinc/39/80/03/1009398003.db2.gz UTZLGXTWJZBHIK-NRFANRHFSA-N 1 0 411.505 3.885 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000543844441 1009409373 /nfs/dbraw/zinc/40/93/73/1009409373.db2.gz OBSVGTAKKQQCIU-ZWKOTPCHSA-N 1 0 405.539 3.946 20 5 HHBDRO COc1cc(C[NH2+]CCc2ccc(OC)c(OC)c2Cl)c([N+](=O)[O-])cc1OC ZINC000549844027 1009458667 /nfs/dbraw/zinc/45/86/67/1009458667.db2.gz XQECKPMSQJWESG-UHFFFAOYSA-N 1 0 410.854 3.615 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCOc1cccc2cccnc21 ZINC000544019901 1009620492 /nfs/dbraw/zinc/62/04/92/1009620492.db2.gz VXAPGBKUVXQPIH-INIZCTEOSA-N 1 0 408.458 3.919 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000544048453 1009651219 /nfs/dbraw/zinc/65/12/19/1009651219.db2.gz WXUKUZZRQDSRRH-UHFFFAOYSA-N 1 0 409.458 3.556 20 5 HHBDRO O=C(NCc1ccccc1[N+](=O)[O-])NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000520736980 1009806845 /nfs/dbraw/zinc/80/68/45/1009806845.db2.gz OECBDTQSUJKMOD-UHFFFAOYSA-N 1 0 416.909 3.960 20 5 HHBDRO C[NH+](C)CCOc1cnccc1CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000520882953 1009938600 /nfs/dbraw/zinc/93/86/00/1009938600.db2.gz SLAXTIVIIQGHOL-UHFFFAOYSA-N 1 0 415.494 3.549 20 5 HHBDRO CCc1ccc([C@H]([NH2+]C[C@H](C(C)C)N2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544367888 1009995674 /nfs/dbraw/zinc/99/56/74/1009995674.db2.gz JRFYYGRBFKAQBC-IFMALSPDSA-N 1 0 401.507 3.786 20 5 HHBDRO CC1CC[NH+](C[C@H](O)CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000520974059 1010016164 /nfs/dbraw/zinc/01/61/64/1010016164.db2.gz QEGQRTKJACBWLB-OAQYLSRUSA-N 1 0 412.534 3.545 20 5 HHBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000520989835 1010029692 /nfs/dbraw/zinc/02/96/92/1010029692.db2.gz QNPXKUQWSNHSGS-UHFFFAOYSA-N 1 0 421.501 3.765 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000550711006 1010119435 /nfs/dbraw/zinc/11/94/35/1010119435.db2.gz OSAZJMHPIUHXOQ-CTNGQTDRSA-N 1 0 418.444 3.545 20 5 HHBDRO COc1ccc(OCC[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000544529074 1010158415 /nfs/dbraw/zinc/15/84/15/1010158415.db2.gz LWMYWQVJTNZYMR-UTKZUKDTSA-N 1 0 404.438 3.973 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCSc3c(Cl)cccc32)cc1 ZINC000544573210 1010202537 /nfs/dbraw/zinc/20/25/37/1010202537.db2.gz PXIRPFVJWXMWDL-INIZCTEOSA-N 1 0 412.920 3.849 20 5 HHBDRO CSc1ccc([C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000550940134 1010268877 /nfs/dbraw/zinc/26/88/77/1010268877.db2.gz XMOLNUSLHHSJIY-QRWLVFNGSA-N 1 0 416.547 3.926 20 5 HHBDRO CSc1ccc([C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000550940133 1010268938 /nfs/dbraw/zinc/26/89/38/1010268938.db2.gz XMOLNUSLHHSJIY-MGPUTAFESA-N 1 0 416.547 3.926 20 5 HHBDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000547364624 1010272356 /nfs/dbraw/zinc/27/23/56/1010272356.db2.gz AAKGYBMCUQLBSU-UTKZUKDTSA-N 1 0 421.497 3.972 20 5 HHBDRO COc1cc(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000521319495 1010301963 /nfs/dbraw/zinc/30/19/63/1010301963.db2.gz XIZCPIXNNPYEGZ-CYBMUJFWSA-N 1 0 418.412 3.936 20 5 HHBDRO CCC(CC)(CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000544707087 1010317121 /nfs/dbraw/zinc/31/71/21/1010317121.db2.gz XRROHZMBCFADFA-QGZVFWFLSA-N 1 0 419.547 3.924 20 5 HHBDRO CC1CC[NH+](Cc2ccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000544742401 1010347848 /nfs/dbraw/zinc/34/78/48/1010347848.db2.gz KNSLFDSSMUCDLA-UHFFFAOYSA-N 1 0 403.504 3.769 20 5 HHBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000521385894 1010349563 /nfs/dbraw/zinc/34/95/63/1010349563.db2.gz JEBMYBFOGZCJSA-CABCVRRESA-N 1 0 405.882 3.825 20 5 HHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000521385897 1010349761 /nfs/dbraw/zinc/34/97/61/1010349761.db2.gz JEBMYBFOGZCJSA-LSDHHAIUSA-N 1 0 405.882 3.825 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000521501074 1010415954 /nfs/dbraw/zinc/41/59/54/1010415954.db2.gz XGNXUAYIKHDBHF-CJNGLKHVSA-N 1 0 409.870 3.808 20 5 HHBDRO CCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544851193 1010436396 /nfs/dbraw/zinc/43/63/96/1010436396.db2.gz QPLFHYXKIQUHBB-IBGZPJMESA-N 1 0 419.485 3.517 20 5 HHBDRO CSc1ccc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000551352523 1010533320 /nfs/dbraw/zinc/53/33/20/1010533320.db2.gz HSHBSUUOVZHPQW-UHFFFAOYSA-N 1 0 415.515 3.720 20 5 HHBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000545119760 1010626977 /nfs/dbraw/zinc/62/69/77/1010626977.db2.gz LEFOYKJEJPBZQA-UHFFFAOYSA-N 1 0 416.453 3.540 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@@H]4CCC[N@H+](Cc5cccnc5)C4)n3)c2c1 ZINC000545143503 1010645011 /nfs/dbraw/zinc/64/50/11/1010645011.db2.gz XYFXDXMFAGKMMU-MRXNPFEDSA-N 1 0 418.457 3.825 20 5 HHBDRO CCOc1cccc(N[C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)c1[N+](=O)[O-] ZINC000545166342 1010663239 /nfs/dbraw/zinc/66/32/39/1010663239.db2.gz SZJQZFUEOQDMQK-INIZCTEOSA-N 1 0 401.463 3.697 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000551587540 1010680218 /nfs/dbraw/zinc/68/02/18/1010680218.db2.gz IKGZNEBJAFVTON-UHFFFAOYSA-N 1 0 402.394 3.615 20 5 HHBDRO CC(C)C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000545354087 1010746504 /nfs/dbraw/zinc/74/65/04/1010746504.db2.gz TXPONMNOFMBHPQ-YLJYHZDGSA-N 1 0 419.547 3.780 20 5 HHBDRO O=C(CC[NH2+][C@@H](c1cncc(Br)c1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000551721717 1010761671 /nfs/dbraw/zinc/76/16/71/1010761671.db2.gz FVPBBMJGUOSMQZ-GOSISDBHSA-N 1 0 419.279 3.822 20 5 HHBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000545381843 1010764480 /nfs/dbraw/zinc/76/44/80/1010764480.db2.gz GOJNRJIFFSORLY-UHFFFAOYSA-N 1 0 403.504 3.565 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000522044538 1010774611 /nfs/dbraw/zinc/77/46/11/1010774611.db2.gz ZHMBTZDALWYYKZ-UHFFFAOYSA-N 1 0 415.515 3.721 20 5 HHBDRO CCC(CC)(CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000522055917 1010783622 /nfs/dbraw/zinc/78/36/22/1010783622.db2.gz OYYCCWPFDIEFDK-KRWDZBQOSA-N 1 0 419.547 3.924 20 5 HHBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000536220620 1011369597 /nfs/dbraw/zinc/36/95/97/1011369597.db2.gz NVRNVWYBFCTRCW-UHFFFAOYSA-N 1 0 406.280 3.909 20 5 HHBDRO C[C@H]1C[C@H](N(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000536233393 1011382942 /nfs/dbraw/zinc/38/29/42/1011382942.db2.gz LXAARUBADCFZRJ-GHTZIAJQSA-N 1 0 410.518 3.832 20 5 HHBDRO O=C(CCc1ccccc1)N1CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000540757694 1011409402 /nfs/dbraw/zinc/40/94/02/1011409402.db2.gz AEVIRKRBQQTQQS-FGZHOGPDSA-N 1 0 407.514 3.739 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H]1c1ccccc1 ZINC000536262380 1011428176 /nfs/dbraw/zinc/42/81/76/1011428176.db2.gz HEQSAMSQQKWCJC-IAGOWNOFSA-N 1 0 404.264 3.533 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H]1c1ccccc1 ZINC000536262385 1011428725 /nfs/dbraw/zinc/42/87/25/1011428725.db2.gz HEQSAMSQQKWCJC-SJORKVTESA-N 1 0 404.264 3.533 20 5 HHBDRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cc2ccccc2c2cccnc12 ZINC000536351084 1011557449 /nfs/dbraw/zinc/55/74/49/1011557449.db2.gz PEHSTKLBUBHJSZ-LEWJYISDSA-N 1 0 411.505 3.753 20 5 HHBDRO CCC(CC)(CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccccc1 ZINC000523117879 1011584535 /nfs/dbraw/zinc/58/45/35/1011584535.db2.gz XADMPJPSAZSTDK-MRXNPFEDSA-N 1 0 412.490 3.559 20 5 HHBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC3(C[C@H]3C(=O)OC)CC2)cc1OC ZINC000541056217 1011695917 /nfs/dbraw/zinc/69/59/17/1011695917.db2.gz DZJFHXPXXLIASP-WBVHZDCISA-N 1 0 420.506 3.803 20 5 HHBDRO COc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000541103438 1011750292 /nfs/dbraw/zinc/75/02/92/1011750292.db2.gz YMRLQPBNOOTVSP-SCLBCKFNSA-N 1 0 404.492 3.870 20 5 HHBDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000541212629 1011883924 /nfs/dbraw/zinc/88/39/24/1011883924.db2.gz UXRKKJBAXLUDST-LBPRGKRZSA-N 1 0 419.503 3.957 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000536732249 1011906732 /nfs/dbraw/zinc/90/67/32/1011906732.db2.gz BDWGKKOFCHUHQY-QGZVFWFLSA-N 1 0 414.481 3.750 20 5 HHBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000523493540 1012013142 /nfs/dbraw/zinc/01/31/42/1012013142.db2.gz JLZSPYQNAUWBAT-OAHLLOKOSA-N 1 0 416.275 3.982 20 5 HHBDRO CCc1nc2ccccc2n1C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000541326190 1012036649 /nfs/dbraw/zinc/03/66/49/1012036649.db2.gz SRTZXERMHUYXBU-GOSISDBHSA-N 1 0 424.501 3.584 20 5 HHBDRO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000523522890 1012049286 /nfs/dbraw/zinc/04/92/86/1012049286.db2.gz HTWYCTRYCSXPIF-STQMWFEESA-N 1 0 405.476 3.819 20 5 HHBDRO Cn1ccnc1[C@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000552040144 1012060435 /nfs/dbraw/zinc/06/04/35/1012060435.db2.gz FDTYAIOLVVCKNT-FCHUYYIVSA-N 1 0 405.502 3.844 20 5 HHBDRO O=C1C[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000536837556 1012067438 /nfs/dbraw/zinc/06/74/38/1012067438.db2.gz GGPURTQSFRTWIH-RZUBCFFCSA-N 1 0 407.514 3.944 20 5 HHBDRO C[C@@H]([NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000536839346 1012068818 /nfs/dbraw/zinc/06/88/18/1012068818.db2.gz LDYIRDKTAQQJDU-OAHLLOKOSA-N 1 0 421.494 3.628 20 5 HHBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(-c3ccccc3[N+](=O)[O-])s1)CC2 ZINC000536843647 1012074030 /nfs/dbraw/zinc/07/40/30/1012074030.db2.gz DMIGPFDXZJESCO-ZIAGYGMSSA-N 1 0 413.503 3.727 20 5 HHBDRO CCc1noc(-c2ccc(CC[NH2+][C@H](C)CC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000536863294 1012099559 /nfs/dbraw/zinc/09/95/59/1012099559.db2.gz LNIABMMGAUQPPJ-OAHLLOKOSA-N 1 0 423.473 3.757 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)C(=O)Nc2nnc(CC)s2)cc1[N+](=O)[O-] ZINC000552089412 1012104353 /nfs/dbraw/zinc/10/43/53/1012104353.db2.gz JQYQOKZITNSFFC-AGIUHOORSA-N 1 0 421.523 3.721 20 5 HHBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000536873169 1012114233 /nfs/dbraw/zinc/11/42/33/1012114233.db2.gz ZYXZEQLYLULBEZ-SJKOYZFVSA-N 1 0 409.364 3.950 20 5 HHBDRO Cn1ccnc1[C@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552223996 1012236899 /nfs/dbraw/zinc/23/68/99/1012236899.db2.gz BCMKZATXQQULKT-IFMALSPDSA-N 1 0 405.502 3.672 20 5 HHBDRO COc1ccc(C[C@H](C)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000552275210 1012288994 /nfs/dbraw/zinc/28/89/94/1012288994.db2.gz OGIFEYUOXYQUKP-AOMKIAJQSA-N 1 0 424.501 3.903 20 5 HHBDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000552296305 1012307669 /nfs/dbraw/zinc/30/76/69/1012307669.db2.gz GFDSSSKIWQDGDY-HSMVNMDESA-N 1 0 403.508 3.639 20 5 HHBDRO CCc1ccc([C@H]([NH2+]CCc2nnc3n2CCCCC3)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541552269 1012339427 /nfs/dbraw/zinc/33/94/27/1012339427.db2.gz ZUQDFDHGCFOJBE-JOCHJYFZSA-N 1 0 409.490 3.990 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)o2)c(Br)c1 ZINC000541553508 1012341123 /nfs/dbraw/zinc/34/11/23/1012341123.db2.gz HSBKZSVRTJAVEQ-KCTSRDHCSA-N 1 0 407.264 3.820 20 5 HHBDRO C[C@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541600922 1012397563 /nfs/dbraw/zinc/39/75/63/1012397563.db2.gz DHIYZQBAOZMYMS-INIZCTEOSA-N 1 0 415.465 3.975 20 5 HHBDRO C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000552411888 1012426789 /nfs/dbraw/zinc/42/67/89/1012426789.db2.gz ZJCMIVNLTRLQOP-QAPCUYQASA-N 1 0 403.429 3.929 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)cc1OC ZINC000537128990 1012513200 /nfs/dbraw/zinc/51/32/00/1012513200.db2.gz AXOPSOBSQABLCK-UHFFFAOYSA-N 1 0 413.474 3.891 20 5 HHBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(-n2ccnn2)cc1 ZINC000537129857 1012514825 /nfs/dbraw/zinc/51/48/25/1012514825.db2.gz MWESJEXQSFSNAC-OAHLLOKOSA-N 1 0 404.430 3.724 20 5 HHBDRO C[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541719811 1012570687 /nfs/dbraw/zinc/57/06/87/1012570687.db2.gz JXMSHVNOKLXEQR-HUUCEWRRSA-N 1 0 400.454 3.574 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000537170428 1012574894 /nfs/dbraw/zinc/57/48/94/1012574894.db2.gz UCXHAMQSCAHQLP-OALUTQOASA-N 1 0 421.563 3.593 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000552614680 1012618092 /nfs/dbraw/zinc/61/80/92/1012618092.db2.gz GFVQGAIHAZTMIQ-IBGZPJMESA-N 1 0 417.456 3.753 20 5 HHBDRO CN(CCC[NH+](C)C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000537215770 1012638718 /nfs/dbraw/zinc/63/87/18/1012638718.db2.gz YBHWPSLEHVOKME-UHFFFAOYSA-N 1 0 404.898 3.884 20 5 HHBDRO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CC2)cs1 ZINC000541773155 1012639697 /nfs/dbraw/zinc/63/96/97/1012639697.db2.gz SMDKURPNTYYLJR-MRXNPFEDSA-N 1 0 404.536 3.775 20 5 HHBDRO C[C@@H](C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541798029 1012674929 /nfs/dbraw/zinc/67/49/29/1012674929.db2.gz XPQMDOUHCVEODZ-BRWVUGGUSA-N 1 0 421.513 3.575 20 5 HHBDRO C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000537324580 1012781339 /nfs/dbraw/zinc/78/13/39/1012781339.db2.gz BYKZTIRNIRUSKJ-KRWDZBQOSA-N 1 0 420.517 3.706 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 ZINC000524049711 1012800801 /nfs/dbraw/zinc/80/08/01/1012800801.db2.gz NJHGCNMDRBEGNP-HNNXBMFYSA-N 1 0 411.458 3.993 20 5 HHBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541944942 1012805281 /nfs/dbraw/zinc/80/52/81/1012805281.db2.gz MIVLBRVPSXGGMQ-MRXNPFEDSA-N 1 0 419.428 3.790 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CCC[C@H]3C[NH+](C)C)cc2[N+](=O)[O-])n1 ZINC000524102051 1012877255 /nfs/dbraw/zinc/87/72/55/1012877255.db2.gz UOEOZSQPUWMIHP-AWEZNQCLSA-N 1 0 406.533 3.677 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H]3C[NH+](C)C)cc2[N+](=O)[O-])n1 ZINC000524102052 1012877512 /nfs/dbraw/zinc/87/75/12/1012877512.db2.gz UOEOZSQPUWMIHP-CQSZACIVSA-N 1 0 406.533 3.677 20 5 HHBDRO CC(C)[N@H+](C)CC1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000524155835 1012945316 /nfs/dbraw/zinc/94/53/16/1012945316.db2.gz PVYDGURUCJINTK-UHFFFAOYSA-N 1 0 417.291 3.756 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000542093869 1013021615 /nfs/dbraw/zinc/02/16/15/1013021615.db2.gz QDOUXRVARYEFAQ-UHFFFAOYSA-N 1 0 400.523 3.979 20 5 HHBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cn1ccc(=O)c2cccc(Br)c21 ZINC000729847450 1072531564 /nfs/dbraw/zinc/53/15/64/1072531564.db2.gz PPCGCYBAMYANJS-UHFFFAOYSA-N 1 0 402.248 3.762 20 5 HHBDRO C[C@H](CCc1ccco1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000571211922 1072596749 /nfs/dbraw/zinc/59/67/49/1072596749.db2.gz NZEAKZWDMSEHEV-LLVKDONJSA-N 1 0 400.216 3.903 20 5 HHBDRO C[C@@H](CCc1ccco1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000571211923 1072596835 /nfs/dbraw/zinc/59/68/35/1072596835.db2.gz NZEAKZWDMSEHEV-NSHDSACASA-N 1 0 400.216 3.903 20 5 HHBDRO C[C@H](c1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1)N1CCOCC1 ZINC000565720647 1072606203 /nfs/dbraw/zinc/60/62/03/1072606203.db2.gz RKXPITYAFQSPDW-QGZVFWFLSA-N 1 0 412.490 3.694 20 5 HHBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555295998 1073326609 /nfs/dbraw/zinc/32/66/09/1073326609.db2.gz GOJNQIFNGWVYHJ-UHFFFAOYSA-N 1 0 417.453 3.705 20 5 HHBDRO C[C@H]1C[C@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000588930580 1073346846 /nfs/dbraw/zinc/34/68/46/1073346846.db2.gz NVKCDHTYXUWTBX-DOTOQJQBSA-N 1 0 417.456 3.927 20 5 HHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000555422770 1073447269 /nfs/dbraw/zinc/44/72/69/1073447269.db2.gz FVJOYKWEWNZMNY-UHFFFAOYSA-N 1 0 415.456 3.938 20 5 HHBDRO CSc1ccc(C(=O)N(C[C@@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000590541817 1073885982 /nfs/dbraw/zinc/88/59/82/1073885982.db2.gz VCJQVGRMPFFEEV-KRWDZBQOSA-N 1 0 423.579 3.650 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000590543242 1073887877 /nfs/dbraw/zinc/88/78/77/1073887877.db2.gz AASOSISCCCQFKD-UHFFFAOYSA-N 1 0 406.442 3.504 20 5 HHBDRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1cc(-c3ccccc3[N+](=O)[O-])nnc1Cl)CC2 ZINC001164388537 718802597 /nfs/dbraw/zinc/80/25/97/718802597.db2.gz WOCZQBUWZAXXGF-UHFFFAOYSA-N 1 0 423.851 3.958 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842736 720695835 /nfs/dbraw/zinc/69/58/35/720695835.db2.gz NABFDZPTHAYJIP-HXUWFJFHSA-N 1 0 410.518 3.867 20 5 HHBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC001164791700 721489651 /nfs/dbraw/zinc/48/96/51/721489651.db2.gz DUMXFKFZSVFELW-UHFFFAOYSA-N 1 0 401.898 3.919 20 5 HHBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164908057 721566351 /nfs/dbraw/zinc/56/63/51/721566351.db2.gz PQASBACUNGXVGD-UYAOXDASSA-N 1 0 408.433 3.624 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164901807 721583979 /nfs/dbraw/zinc/58/39/79/721583979.db2.gz ASFFIJZYCSMTJE-SFHVURJKSA-N 1 0 423.851 3.776 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC001165024530 721800663 /nfs/dbraw/zinc/80/06/63/721800663.db2.gz LOLZSUYWCODVCS-POZUXBRTSA-N 1 0 401.898 3.775 20 5 HHBDRO CC(C)Oc1nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ccc1[N+](=O)[O-] ZINC001164955472 722022895 /nfs/dbraw/zinc/02/28/95/722022895.db2.gz IGLMVECGZUOLLD-UHFFFAOYSA-N 1 0 411.506 3.665 20 5 HHBDRO C[NH+]1CCN(C[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000301172603 970786288 /nfs/dbraw/zinc/78/62/88/970786288.db2.gz UZCHDVXUOVTECB-SFHVURJKSA-N 1 0 419.323 3.758 20 5 HHBDRO C[NH+](C)[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1cccs1 ZINC000301176527 970789060 /nfs/dbraw/zinc/78/90/60/970789060.db2.gz LOQCKIBJSBLCMU-HNNXBMFYSA-N 1 0 419.894 3.570 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000301187578 970795770 /nfs/dbraw/zinc/79/57/70/970795770.db2.gz KSFJNXOMGTXJMF-CYBMUJFWSA-N 1 0 402.373 3.977 20 5 HHBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000301291296 970852284 /nfs/dbraw/zinc/85/22/84/970852284.db2.gz QILKISVJMOKCAQ-OAHLLOKOSA-N 1 0 422.407 3.660 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000301389474 970903691 /nfs/dbraw/zinc/90/36/91/970903691.db2.gz YFMMYLBZJQXVBK-CYBMUJFWSA-N 1 0 402.373 3.977 20 5 HHBDRO CC(C)NC(=O)c1ccc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000301457923 970938881 /nfs/dbraw/zinc/93/88/81/970938881.db2.gz SSMKTCMTSPLHJI-SFHVURJKSA-N 1 0 410.518 3.834 20 5 HHBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000301530673 970969566 /nfs/dbraw/zinc/96/95/66/970969566.db2.gz PHVFBBAVBSSCEP-QGZVFWFLSA-N 1 0 402.476 3.862 20 5 HHBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000301556577 970978992 /nfs/dbraw/zinc/97/89/92/970978992.db2.gz HKQRRPKPAUNZJV-KDOFPFPSSA-N 1 0 414.462 3.626 20 5 HHBDRO CC1CC[NH+]([C@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c2ccccc2)CC1 ZINC000301710541 971036895 /nfs/dbraw/zinc/03/68/95/971036895.db2.gz XOQUKHGTZYIUNM-HXUWFJFHSA-N 1 0 410.474 3.811 20 5 HHBDRO CS(=O)(=O)c1cccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000301869170 971092556 /nfs/dbraw/zinc/09/25/56/971092556.db2.gz GYRPVVIGQPICOO-AYHJJNSGSA-N 1 0 415.515 3.606 20 5 HHBDRO CNC(=O)c1ccc(NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000301901194 971107119 /nfs/dbraw/zinc/10/71/19/971107119.db2.gz ZWGLVNWDPHWOGE-LIRRHRJNSA-N 1 0 420.872 3.852 20 5 HHBDRO CCc1nn(C)c(N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000301917852 971115571 /nfs/dbraw/zinc/11/55/71/971115571.db2.gz BACFOPWMFQHZBK-UHFFFAOYSA-N 1 0 403.486 3.783 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)C1 ZINC000301933546 971122259 /nfs/dbraw/zinc/12/22/59/971122259.db2.gz NQFCJECSVVJRHZ-AWEZNQCLSA-N 1 0 423.560 3.904 20 5 HHBDRO CC1CC[NH+](C[C@H]2CCCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C2)CC1 ZINC000301977109 971139608 /nfs/dbraw/zinc/13/96/08/971139608.db2.gz FGQRVKHTVTZTEW-LJQANCHMSA-N 1 0 414.550 3.779 20 5 HHBDRO O=[N+]([O-])c1cc(Br)ccc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000302063580 971166961 /nfs/dbraw/zinc/16/69/61/971166961.db2.gz UXAPYPPZSYAJSD-KRWDZBQOSA-N 1 0 420.307 3.926 20 5 HHBDRO Cc1cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302169838 971194761 /nfs/dbraw/zinc/19/47/61/971194761.db2.gz LSWIFPSBRPXRAO-UHFFFAOYSA-N 1 0 412.396 3.692 20 5 HHBDRO O=[N+]([O-])c1cnc(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)nc1 ZINC000302211808 971208615 /nfs/dbraw/zinc/20/86/15/971208615.db2.gz GZUVNJPHXJOOML-FQEVSTJZSA-N 1 0 409.877 3.950 20 5 HHBDRO Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(Br)cc1[N+](=O)[O-] ZINC000302711449 971288008 /nfs/dbraw/zinc/28/80/08/971288008.db2.gz WZUOJFGVERPQCF-MRXNPFEDSA-N 1 0 420.307 3.844 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000303087357 971497258 /nfs/dbraw/zinc/49/72/58/971497258.db2.gz YDMRVKZYRWRJCH-OAQYLSRUSA-N 1 0 407.474 3.593 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000303237529 971574487 /nfs/dbraw/zinc/57/44/87/971574487.db2.gz YSTXFRFIRRRIBT-UHFFFAOYSA-N 1 0 416.453 3.720 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)cc1OC ZINC000303457405 971760684 /nfs/dbraw/zinc/76/06/84/971760684.db2.gz GLDOTKBQFPFUGI-HNNXBMFYSA-N 1 0 407.511 3.633 20 5 HHBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000303583379 971875843 /nfs/dbraw/zinc/87/58/43/971875843.db2.gz NAJNTFCRMILAGG-UHFFFAOYSA-N 1 0 402.539 3.779 20 5 HHBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000303589114 971881985 /nfs/dbraw/zinc/88/19/85/971881985.db2.gz RJLVJHSPFFSCFF-KRWDZBQOSA-N 1 0 407.392 3.547 20 5 HHBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303789847 972029028 /nfs/dbraw/zinc/02/90/28/972029028.db2.gz JSWVROOIXYNSGV-VQIMIIECSA-N 1 0 417.531 3.577 20 5 HHBDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537618618 1013160416 /nfs/dbraw/zinc/16/04/16/1013160416.db2.gz HHVUPHHAIWHHEI-ZDUSSCGKSA-N 1 0 410.879 3.989 20 5 HHBDRO CCOc1cc(C[NH+]2C[C@@H](C)[C@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000537623309 1013170813 /nfs/dbraw/zinc/17/08/13/1013170813.db2.gz CUPRNWXMYUGRJK-HZPDHXFCSA-N 1 0 402.495 3.665 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303827749 972363416 /nfs/dbraw/zinc/36/34/16/972363416.db2.gz QHFBLGPEPNPXFS-MJGOQNOKSA-N 1 0 417.531 3.577 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3OCc3cccnc3)C2)nc1 ZINC000537634337 1013189726 /nfs/dbraw/zinc/18/97/26/1013189726.db2.gz IEYZKGJNKQQHSJ-LJQANCHMSA-N 1 0 405.458 3.650 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCc3ccccc3C[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000009917264 961712121 /nfs/dbraw/zinc/71/21/21/961712121.db2.gz QHYSQTNHXZZVTJ-QGZVFWFLSA-N 1 0 410.518 3.823 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000537731987 1013293355 /nfs/dbraw/zinc/29/33/55/1013293355.db2.gz DHGRDLNWGGIBSY-SFHVURJKSA-N 1 0 413.474 3.569 20 5 HHBDRO CC(C)(CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000014060709 962412458 /nfs/dbraw/zinc/41/24/58/962412458.db2.gz LODDVZKNLIYTDK-UHFFFAOYSA-N 1 0 416.444 3.796 20 5 HHBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000015365703 962738254 /nfs/dbraw/zinc/73/82/54/962738254.db2.gz UVYAIZXKDUKODW-ICSRJNTNSA-N 1 0 415.515 3.517 20 5 HHBDRO COc1cccc(NC(=O)[C@H]([NH2+]CCNc2ccccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000015501208 962775972 /nfs/dbraw/zinc/77/59/72/962775972.db2.gz QBRSCCSWTUTYQE-JOCHJYFZSA-N 1 0 420.469 3.985 20 5 HHBDRO COc1cccc(NC(=O)[C@@H]([NH2+]CCNc2ccccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000015501206 962776438 /nfs/dbraw/zinc/77/64/38/962776438.db2.gz QBRSCCSWTUTYQE-QFIPXVFZSA-N 1 0 420.469 3.985 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000017911398 963240165 /nfs/dbraw/zinc/24/01/65/963240165.db2.gz UTSBCPTZRBUXLR-JOCHJYFZSA-N 1 0 424.501 3.745 20 5 HHBDRO CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC[NH+](CC)CC)c([N+](=O)[O-])c1 ZINC000023380608 963812664 /nfs/dbraw/zinc/81/26/64/963812664.db2.gz XWAUOCHDVYFUNN-UHFFFAOYSA-N 1 0 420.535 3.564 20 5 HHBDRO O=C(C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000050273821 964299155 /nfs/dbraw/zinc/29/91/55/964299155.db2.gz OIBWWXHPXMDIBE-IBGZPJMESA-N 1 0 403.822 3.656 20 5 HHBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000051054565 964453418 /nfs/dbraw/zinc/45/34/18/964453418.db2.gz KTMTULRGUXVBHW-ZOBUZTSGSA-N 1 0 415.494 3.723 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc(Br)cc1 ZINC000026224883 964492266 /nfs/dbraw/zinc/49/22/66/964492266.db2.gz OMVDUKWCQIBGEQ-UHFFFAOYSA-N 1 0 422.279 3.827 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000026340987 964530524 /nfs/dbraw/zinc/53/05/24/964530524.db2.gz VNQIMNMKVKLLBF-QGZVFWFLSA-N 1 0 410.474 3.583 20 5 HHBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000026453633 964569948 /nfs/dbraw/zinc/56/99/48/964569948.db2.gz RHKIGSSQNGUDSH-UHFFFAOYSA-N 1 0 409.389 3.665 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000537941966 1013525935 /nfs/dbraw/zinc/52/59/35/1013525935.db2.gz KCYXMMKPNJPOBP-KRWDZBQOSA-N 1 0 417.531 3.680 20 5 HHBDRO O=C(NC1CC1)c1ccc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000553675441 1013539106 /nfs/dbraw/zinc/53/91/06/1013539106.db2.gz SAESXCFTYJTOBB-DEOSSOPVSA-N 1 0 420.513 3.589 20 5 HHBDRO COc1ccccc1N1CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000537959457 1013540053 /nfs/dbraw/zinc/54/00/53/1013540053.db2.gz HGWYWZHDUHAFMZ-WDSOQIARSA-N 1 0 409.486 3.710 20 5 HHBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052994118 965036754 /nfs/dbraw/zinc/03/67/54/965036754.db2.gz CSTGPYUDJRNURV-UHFFFAOYSA-N 1 0 411.506 3.509 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)cc1[N+](=O)[O-] ZINC000537969462 1013546646 /nfs/dbraw/zinc/54/66/46/1013546646.db2.gz AFJRBCSSUFPZJW-IRXDYDNUSA-N 1 0 423.469 3.691 20 5 HHBDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537971769 1013548358 /nfs/dbraw/zinc/54/83/58/1013548358.db2.gz GOGWBVICGWBXNC-FQEVSTJZSA-N 1 0 405.520 3.866 20 5 HHBDRO C[C@H](c1ccccc1Cl)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000029690681 965460345 /nfs/dbraw/zinc/46/03/45/965460345.db2.gz BUGUSGDUHUBZEG-MRXNPFEDSA-N 1 0 416.909 3.956 20 5 HHBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000054287736 965462264 /nfs/dbraw/zinc/46/22/64/965462264.db2.gz GLHGYEICJHMTGX-GOSISDBHSA-N 1 0 405.542 3.781 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000054318024 965476054 /nfs/dbraw/zinc/47/60/54/965476054.db2.gz RCVDVYAUVXDHJT-UHFFFAOYSA-N 1 0 418.538 3.520 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)cc1 ZINC000542679642 1013601190 /nfs/dbraw/zinc/60/11/90/1013601190.db2.gz ZJAZQVVQTMSYBM-KRWDZBQOSA-N 1 0 415.298 3.952 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)cc1 ZINC000542679643 1013601320 /nfs/dbraw/zinc/60/13/20/1013601320.db2.gz ZJAZQVVQTMSYBM-QGZVFWFLSA-N 1 0 415.298 3.952 20 5 HHBDRO C[N@H+](CCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000031144701 965910698 /nfs/dbraw/zinc/91/06/98/965910698.db2.gz MAFXYJBHILTMTQ-UHFFFAOYSA-N 1 0 402.539 3.582 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000055752668 966049086 /nfs/dbraw/zinc/04/90/86/966049086.db2.gz LKDFKPPQRJJISF-LJQANCHMSA-N 1 0 401.438 3.700 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000060089838 966059724 /nfs/dbraw/zinc/05/97/24/966059724.db2.gz BUGWPDUQGDWHFV-LJQANCHMSA-N 1 0 411.458 3.840 20 5 HHBDRO CCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000060499901 966174640 /nfs/dbraw/zinc/17/46/40/966174640.db2.gz NXCOZUDWJHWWFX-HXUWFJFHSA-N 1 0 413.474 3.569 20 5 HHBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061289378 966422186 /nfs/dbraw/zinc/42/21/86/966422186.db2.gz NIFRDDHULKCCGV-UHFFFAOYSA-N 1 0 417.556 3.917 20 5 HHBDRO O=C(Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000038907150 966488126 /nfs/dbraw/zinc/48/81/26/966488126.db2.gz VKULBTOHUKXIDC-UHFFFAOYSA-N 1 0 417.469 3.564 20 5 HHBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000041665003 966609720 /nfs/dbraw/zinc/60/97/20/966609720.db2.gz DFDLIKPBMLXPPZ-UHFFFAOYSA-N 1 0 402.882 3.638 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000041816134 966642277 /nfs/dbraw/zinc/64/22/77/966642277.db2.gz PYSQIHIKEPQMDT-HXUWFJFHSA-N 1 0 415.515 3.892 20 5 HHBDRO Cc1ccccc1C[N@@H+]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000042104274 966719604 /nfs/dbraw/zinc/71/96/04/966719604.db2.gz WEVYVSZOOFVDQA-UHFFFAOYSA-N 1 0 408.502 3.508 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000042127308 966726016 /nfs/dbraw/zinc/72/60/16/966726016.db2.gz GCERYCYEMMVQDW-UHFFFAOYSA-N 1 0 408.502 3.872 20 5 HHBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000063069920 966746016 /nfs/dbraw/zinc/74/60/16/966746016.db2.gz XLJLZBPTWZCZQU-UHFFFAOYSA-N 1 0 402.882 3.712 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000538120005 1013682330 /nfs/dbraw/zinc/68/23/30/1013682330.db2.gz KGAVAHJDOBIZJO-NWDGAFQWSA-N 1 0 409.389 3.883 20 5 HHBDRO O=c1[nH]cnc2cc(NCc3ccc(C[NH+]4CCCCCC4)cc3)c([N+](=O)[O-])cc21 ZINC000063737758 966943018 /nfs/dbraw/zinc/94/30/18/966943018.db2.gz FJSXNDLSZROQDC-UHFFFAOYSA-N 1 0 407.474 3.819 20 5 HHBDRO Cn1ccnc1C(=O)c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000064113091 967051396 /nfs/dbraw/zinc/05/13/96/967051396.db2.gz WCRJWFWTPXNGTB-UHFFFAOYSA-N 1 0 419.485 3.636 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000064280382 967120087 /nfs/dbraw/zinc/12/00/87/967120087.db2.gz WNIAPJYBZISPNM-UHFFFAOYSA-N 1 0 424.501 3.534 20 5 HHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000064749607 967281527 /nfs/dbraw/zinc/28/15/27/967281527.db2.gz SZLOPDYMMPARFT-UHFFFAOYSA-N 1 0 421.501 3.767 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[NH+](C)C)cc1 ZINC000065413687 967456850 /nfs/dbraw/zinc/45/68/50/967456850.db2.gz PGISJKDTUNMWPV-INIZCTEOSA-N 1 0 408.405 3.929 20 5 HHBDRO Cc1c(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000045942225 967603201 /nfs/dbraw/zinc/60/32/01/967603201.db2.gz VQCBPUWDEUMXPW-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000538178053 1013737758 /nfs/dbraw/zinc/73/77/58/1013737758.db2.gz PCKFRYGFZGEWDZ-VIFPVBQESA-N 1 0 414.206 3.925 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000538181174 1013739735 /nfs/dbraw/zinc/73/97/35/1013739735.db2.gz SWVYLHHLPPPIBP-RDJZCZTQSA-N 1 0 402.344 3.757 20 5 HHBDRO COCCSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000538204411 1013759090 /nfs/dbraw/zinc/75/90/90/1013759090.db2.gz FDRHMJDQHIPFCB-OAHLLOKOSA-N 1 0 403.504 3.931 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000047187656 968081937 /nfs/dbraw/zinc/08/19/37/968081937.db2.gz PXEVKVHDLULHIG-IBGZPJMESA-N 1 0 405.542 3.926 20 5 HHBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(OCC2CC2)c(F)c1 ZINC000538224163 1013773965 /nfs/dbraw/zinc/77/39/65/1013773965.db2.gz NZVDRQSLXNVCGM-AWEZNQCLSA-N 1 0 413.449 3.763 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC000047608577 968257057 /nfs/dbraw/zinc/25/70/57/968257057.db2.gz FFBQNYUAYZSMHC-KGLIPLIRSA-N 1 0 417.462 3.689 20 5 HHBDRO C[C@@H](OC[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(Cl)cc1 ZINC000047745356 968295405 /nfs/dbraw/zinc/29/54/05/968295405.db2.gz WUACVKXGHPHWRR-IIBYNOLFSA-N 1 0 419.909 3.509 20 5 HHBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000538259717 1013801277 /nfs/dbraw/zinc/80/12/77/1013801277.db2.gz NBYRLQUYFJPXKI-QGZVFWFLSA-N 1 0 409.552 3.668 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+]1CCCC1 ZINC000048299515 968516373 /nfs/dbraw/zinc/51/63/73/968516373.db2.gz HWQNEXYPLAFHAD-IBGZPJMESA-N 1 0 408.458 3.652 20 5 HHBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000554129108 1013812364 /nfs/dbraw/zinc/81/23/64/1013812364.db2.gz YYWAKLWYBIAKTE-WAOWUJCRSA-N 1 0 414.550 3.633 20 5 HHBDRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(-c2ccc(C)cc2)n1 ZINC000538276860 1013815521 /nfs/dbraw/zinc/81/55/21/1013815521.db2.gz KWOIDFHTBXXHOQ-QGZVFWFLSA-N 1 0 407.474 3.995 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]CCN2c3cccc4cccc(c34)S2(=O)=O)cc1[N+](=O)[O-] ZINC000538276157 1013815792 /nfs/dbraw/zinc/81/57/92/1013815792.db2.gz IDZDKJATYBWLCM-HNNXBMFYSA-N 1 0 411.483 3.916 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000554135735 1013815876 /nfs/dbraw/zinc/81/58/76/1013815876.db2.gz OHBFYTUDCVOZDF-FIKGOQFSSA-N 1 0 423.517 3.862 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000065841576 968677072 /nfs/dbraw/zinc/67/70/72/968677072.db2.gz SNVCIFQGYVZHKF-UHFFFAOYSA-N 1 0 406.486 3.852 20 5 HHBDRO Cc1nc(-c2ccc(C)cc2NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000538279670 1013817835 /nfs/dbraw/zinc/81/78/35/1013817835.db2.gz PETWHAXNCBNQGD-AWEZNQCLSA-N 1 0 408.462 3.594 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000065893552 968703482 /nfs/dbraw/zinc/70/34/82/968703482.db2.gz JQJROTIWRULYTI-UHFFFAOYSA-N 1 0 400.454 3.512 20 5 HHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000105542671 969245505 /nfs/dbraw/zinc/24/55/05/969245505.db2.gz WQQCQFABCXKYBC-KRWDZBQOSA-N 1 0 407.474 3.914 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Cc1ccccc1 ZINC000108480057 969387956 /nfs/dbraw/zinc/38/79/56/969387956.db2.gz XDRIPUKIJUFVLS-NRFANRHFSA-N 1 0 424.545 3.878 20 5 HHBDRO C[C@@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000108968912 969442306 /nfs/dbraw/zinc/44/23/06/969442306.db2.gz VXOICICSXRWEJA-QGZVFWFLSA-N 1 0 423.517 3.566 20 5 HHBDRO C[C@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000109120387 969465180 /nfs/dbraw/zinc/46/51/80/969465180.db2.gz IMUKBBKGSCMIFQ-IAGOWNOFSA-N 1 0 411.506 3.625 20 5 HHBDRO COc1ccc(OCC[N@H+](Cc2ccc(F)cc2)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000554258276 1013880156 /nfs/dbraw/zinc/88/01/56/1013880156.db2.gz ODQUIHLIQRKFJO-UHFFFAOYSA-N 1 0 404.438 3.803 20 5 HHBDRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000109407857 969513450 /nfs/dbraw/zinc/51/34/50/969513450.db2.gz BBDDFWSCDUOSHF-UHFFFAOYSA-N 1 0 407.474 3.777 20 5 HHBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000109499959 969525823 /nfs/dbraw/zinc/52/58/23/969525823.db2.gz SGFVRQBNBOAFFS-UHFFFAOYSA-N 1 0 419.478 3.609 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000110118914 969625752 /nfs/dbraw/zinc/62/57/52/969625752.db2.gz GRIYUELUIFZQAZ-IBGZPJMESA-N 1 0 407.392 3.666 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000110339760 969656538 /nfs/dbraw/zinc/65/65/38/969656538.db2.gz JYGWTCQICQDJKO-PKOBYXMFSA-N 1 0 423.517 3.863 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CCCCCn2cccn2)CC1 ZINC000110791878 969723845 /nfs/dbraw/zinc/72/38/45/969723845.db2.gz QWGIWQZNMXLHJG-UHFFFAOYSA-N 1 0 411.428 3.803 20 5 HHBDRO CC(C)(C)C(=O)NCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236794488 970173206 /nfs/dbraw/zinc/17/32/06/970173206.db2.gz IGVBIFDUNBJEBU-UHFFFAOYSA-N 1 0 424.295 3.869 20 5 HHBDRO CC[N@@H+]1CCCC[C@@H]1CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000236820807 970176364 /nfs/dbraw/zinc/17/63/64/970176364.db2.gz YIBIWDKWZFYQCC-CQSZACIVSA-N 1 0 405.417 3.509 20 5 HHBDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236889301 970185509 /nfs/dbraw/zinc/18/55/09/970185509.db2.gz VJNSVZPYQHXCNM-SJORKVTESA-N 1 0 421.501 3.840 20 5 HHBDRO CCOc1cc(C[NH2+][C@@H]2C=CCCC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000237021055 970208100 /nfs/dbraw/zinc/20/81/00/970208100.db2.gz RWMQEMBFBDQKPH-GOSISDBHSA-N 1 0 400.479 3.776 20 5 HHBDRO COc1cc(CNC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237108921 970224090 /nfs/dbraw/zinc/22/40/90/970224090.db2.gz ODAWXZCYLCYWCB-UHFFFAOYSA-N 1 0 419.444 3.897 20 5 HHBDRO COc1ccccc1N1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237121000 970226575 /nfs/dbraw/zinc/22/65/75/970226575.db2.gz ZLBODJLSIGANTJ-QGZVFWFLSA-N 1 0 421.501 3.620 20 5 HHBDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000237284494 970254951 /nfs/dbraw/zinc/25/49/51/970254951.db2.gz PWHHPSRKGDZAQT-INIZCTEOSA-N 1 0 412.490 3.711 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CCc3n[nH]cc3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237374453 970272658 /nfs/dbraw/zinc/27/26/58/970272658.db2.gz XDZINGGDJMFHMN-SFHVURJKSA-N 1 0 408.458 3.553 20 5 HHBDRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000237396527 970276971 /nfs/dbraw/zinc/27/69/71/970276971.db2.gz ZODHCGNTAQJZIC-HUUCEWRRSA-N 1 0 404.536 3.696 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]CC3(C(=O)N(C)C)CCCC3)o2)c([N+](=O)[O-])c1 ZINC000237425032 970283115 /nfs/dbraw/zinc/28/31/15/970283115.db2.gz QHCGWESGSATBRZ-UHFFFAOYSA-N 1 0 401.463 3.602 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]CCc3cccc(C(=O)N(C)C)c3)o2)c([N+](=O)[O-])c1 ZINC000237427933 970283937 /nfs/dbraw/zinc/28/39/37/970283937.db2.gz YQBYRJSYWGGXJI-UHFFFAOYSA-N 1 0 423.469 3.898 20 5 HHBDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237507430 970304721 /nfs/dbraw/zinc/30/47/21/970304721.db2.gz ANNOHHAOSICBAY-HNNXBMFYSA-N 1 0 405.882 3.851 20 5 HHBDRO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000237609083 970322058 /nfs/dbraw/zinc/32/20/58/970322058.db2.gz UASDTNADEZZAQI-INIZCTEOSA-N 1 0 421.501 3.840 20 5 HHBDRO Cn1cc(C[NH2+]CCc2ccc(-n3cccn3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237762020 970358375 /nfs/dbraw/zinc/35/83/75/970358375.db2.gz QWBMEMAZHCWJBO-UHFFFAOYSA-N 1 0 402.458 3.513 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCn2cccn2)cc1 ZINC000237999316 970413813 /nfs/dbraw/zinc/41/38/13/970413813.db2.gz KGXGZUSQAAINEL-UHFFFAOYSA-N 1 0 402.458 3.824 20 5 HHBDRO CC(C)Cc1ccc([C@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000554664762 1014005357 /nfs/dbraw/zinc/00/53/57/1014005357.db2.gz VABPWHRJVLPHIY-KRWDZBQOSA-N 1 0 401.511 3.673 20 5 HHBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000261416958 970665632 /nfs/dbraw/zinc/66/56/32/970665632.db2.gz MWMAKIDTGFKFCA-CQSZACIVSA-N 1 0 404.898 3.930 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]C3CCN(CC(F)(F)F)CC3)o2)c([N+](=O)[O-])c1 ZINC000409674817 973135803 /nfs/dbraw/zinc/13/58/03/973135803.db2.gz GPUQWZSCFLZOHI-UHFFFAOYSA-N 1 0 413.396 3.980 20 5 HHBDRO Cc1ccc(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000410370736 973966202 /nfs/dbraw/zinc/96/62/02/973966202.db2.gz YJHKNPSABHHIHG-IAGOWNOFSA-N 1 0 412.490 3.834 20 5 HHBDRO Cc1cc(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)ccc1Br ZINC000425911106 974024226 /nfs/dbraw/zinc/02/42/26/974024226.db2.gz AKJKTPLKXFXQMQ-UHFFFAOYSA-N 1 0 420.307 3.707 20 5 HHBDRO CC(C)[NH+](CCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC000426017739 974137611 /nfs/dbraw/zinc/13/76/11/974137611.db2.gz CXAMJZAVNSYYJU-UHFFFAOYSA-N 1 0 404.433 3.922 20 5 HHBDRO C[C@H](CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000426189377 974299064 /nfs/dbraw/zinc/29/90/64/974299064.db2.gz AOFCEYVNWPBMKJ-CYBMUJFWSA-N 1 0 402.417 3.677 20 5 HHBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426245239 974339809 /nfs/dbraw/zinc/33/98/09/974339809.db2.gz LTCOTARWXOHIOJ-CYBMUJFWSA-N 1 0 402.417 3.677 20 5 HHBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000426272816 974361394 /nfs/dbraw/zinc/36/13/94/974361394.db2.gz AILILGAKEJAWRO-MRXNPFEDSA-N 1 0 414.428 3.774 20 5 HHBDRO CCOc1cc(C[N@H+](C)[C@H]2CC2(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000426582050 974544293 /nfs/dbraw/zinc/54/42/93/974544293.db2.gz XSLVNKOBZAGRKL-IBGZPJMESA-N 1 0 402.495 3.808 20 5 HHBDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@@H](C)O1 ZINC000426642299 974578541 /nfs/dbraw/zinc/57/85/41/974578541.db2.gz HIVKTTZRJZZVCT-HUUCEWRRSA-N 1 0 424.929 3.991 20 5 HHBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CCC(F)(F)F ZINC000427204978 974977246 /nfs/dbraw/zinc/97/72/46/974977246.db2.gz QHKBOAMNEFKZKL-UHFFFAOYSA-N 1 0 401.307 3.618 20 5 HHBDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000427327200 975054343 /nfs/dbraw/zinc/05/43/43/975054343.db2.gz CHBQNXNPUMJMND-GJZGRUSLSA-N 1 0 409.914 3.600 20 5 HHBDRO COc1ccc(NC(=O)C2([NH2+]Cc3ccc([N+](=O)[O-])cc3C)CCCC2)cc1OC ZINC000428369310 975688209 /nfs/dbraw/zinc/68/82/09/975688209.db2.gz IDNSNAWHZMFKDA-UHFFFAOYSA-N 1 0 413.474 3.962 20 5 HHBDRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000428531160 975825591 /nfs/dbraw/zinc/82/55/91/975825591.db2.gz ADFWDLJOWLDSJW-SFHVURJKSA-N 1 0 413.477 3.500 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000428533121 975828332 /nfs/dbraw/zinc/82/83/32/975828332.db2.gz CJZWEGWTAYFYHA-AWEZNQCLSA-N 1 0 423.307 3.697 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000428550706 975860169 /nfs/dbraw/zinc/86/01/69/975860169.db2.gz VYIIZZMIUDGGCX-PXTSUWAFSA-N 1 0 405.292 3.811 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000428550705 975860311 /nfs/dbraw/zinc/86/03/11/975860311.db2.gz VYIIZZMIUDGGCX-KKTNHOPESA-N 1 0 405.292 3.811 20 5 HHBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000428719257 976008355 /nfs/dbraw/zinc/00/83/55/976008355.db2.gz IAJFLAZSSIFJRR-JSGCOSHPSA-N 1 0 417.453 3.648 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429220049 976513072 /nfs/dbraw/zinc/51/30/72/976513072.db2.gz DTBFMRVFMVTUMS-UHFFFAOYSA-N 1 0 418.881 3.860 20 5 HHBDRO C/C=C/c1ccc(OC[C@@H](O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000429259217 976547764 /nfs/dbraw/zinc/54/77/64/976547764.db2.gz JMVBNOFNATYMDI-JZLODUJNSA-N 1 0 400.475 3.901 20 5 HHBDRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429275505 976561184 /nfs/dbraw/zinc/56/11/84/976561184.db2.gz QWMIGSMRUSURGL-QGZVFWFLSA-N 1 0 418.291 3.869 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429348971 976612335 /nfs/dbraw/zinc/61/23/35/976612335.db2.gz LTILPGDXBWAEJX-HXUWFJFHSA-N 1 0 411.502 3.541 20 5 HHBDRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429367262 976636409 /nfs/dbraw/zinc/63/64/09/976636409.db2.gz NCKUDILMBFACMG-KRWDZBQOSA-N 1 0 418.291 3.869 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429752566 977044952 /nfs/dbraw/zinc/04/49/52/977044952.db2.gz UGRDCDNPDJLFIC-LJQANCHMSA-N 1 0 412.490 3.624 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429970397 977237642 /nfs/dbraw/zinc/23/76/42/977237642.db2.gz XUGUMWBYSXJJIS-UHFFFAOYSA-N 1 0 406.280 3.561 20 5 HHBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000430108193 977322689 /nfs/dbraw/zinc/32/26/89/977322689.db2.gz VBKKCLBGRMJOJB-FQEVSTJZSA-N 1 0 406.385 3.513 20 5 HHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000430830302 977785174 /nfs/dbraw/zinc/78/51/74/977785174.db2.gz MMWGSXKSKYLPAC-GOEBONIOSA-N 1 0 409.552 3.956 20 5 HHBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000430933767 977898300 /nfs/dbraw/zinc/89/83/00/977898300.db2.gz MECZYSJUKDKWDW-UHFFFAOYSA-N 1 0 422.279 3.940 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000431773014 978501217 /nfs/dbraw/zinc/50/12/17/978501217.db2.gz UJZQLTKVNKMZHS-MRXNPFEDSA-N 1 0 410.243 3.529 20 5 HHBDRO C[NH+](C)CCOc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000431782992 978509817 /nfs/dbraw/zinc/50/98/17/978509817.db2.gz REICQSDKFNZUSX-UHFFFAOYSA-N 1 0 408.252 3.550 20 5 HHBDRO CC[NH+](CC)CCC[C@H](C)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000432145711 978692671 /nfs/dbraw/zinc/69/26/71/978692671.db2.gz VTEOIPJFPDTIEU-AWEZNQCLSA-N 1 0 407.902 3.717 20 5 HHBDRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3c(Cl)cccc3[N+](=O)[O-])c2)C1 ZINC000432330166 978763233 /nfs/dbraw/zinc/76/32/33/978763233.db2.gz YDAYMASHVMJJPF-INIZCTEOSA-N 1 0 402.882 3.558 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)SCC[N@H+](C)Cc1ccccc1 ZINC000433036285 979048918 /nfs/dbraw/zinc/04/89/18/979048918.db2.gz SVOWTVAVHUQGGA-OAHLLOKOSA-N 1 0 403.504 3.796 20 5 HHBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000433166455 979112034 /nfs/dbraw/zinc/11/20/34/979112034.db2.gz FXRYSCFNFQGKBM-XOBRGWDASA-N 1 0 417.531 3.918 20 5 HHBDRO CC1(C)C[C@@H](Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433236103 979168157 /nfs/dbraw/zinc/16/81/57/979168157.db2.gz XARYVNHAXDIVBQ-RTWAWAEBSA-N 1 0 408.502 3.879 20 5 HHBDRO CC1(C)C[C@H](Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433236104 979168256 /nfs/dbraw/zinc/16/82/56/979168256.db2.gz XARYVNHAXDIVBQ-SFTDATJTSA-N 1 0 408.502 3.879 20 5 HHBDRO O=C(C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000433317416 979232396 /nfs/dbraw/zinc/23/23/96/979232396.db2.gz KYFVKPPWEVPWKN-IBGZPJMESA-N 1 0 403.866 3.680 20 5 HHBDRO CC(C)c1n[nH]c(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000433833804 979612769 /nfs/dbraw/zinc/61/27/69/979612769.db2.gz PLGHIHIBCCFEPB-HZPDHXFCSA-N 1 0 413.522 3.849 20 5 HHBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000434039859 979777556 /nfs/dbraw/zinc/77/75/56/979777556.db2.gz DHYFMOZZBLACPE-QRQLOZEOSA-N 1 0 423.517 3.862 20 5 HHBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000434062022 979801066 /nfs/dbraw/zinc/80/10/66/979801066.db2.gz IAIWVWKNTSELSB-UHOSZYNNSA-N 1 0 400.523 3.530 20 5 HHBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1[N+](=O)[O-] ZINC000434224687 979995578 /nfs/dbraw/zinc/99/55/78/979995578.db2.gz CNZMGKAFSTZSCY-KRWDZBQOSA-N 1 0 413.522 3.644 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000434893834 980475116 /nfs/dbraw/zinc/47/51/16/980475116.db2.gz CHGVCQTUOOJSJH-UHFFFAOYSA-N 1 0 405.495 3.603 20 5 HHBDRO Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435293920 980763403 /nfs/dbraw/zinc/76/34/03/980763403.db2.gz DUEJYSQEKAUZAX-NRFANRHFSA-N 1 0 419.485 3.728 20 5 HHBDRO Cc1c(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435322255 980780726 /nfs/dbraw/zinc/78/07/26/980780726.db2.gz BFXWKZDBRVIGNS-AWEZNQCLSA-N 1 0 411.300 3.758 20 5 HHBDRO Cc1c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435323079 980781943 /nfs/dbraw/zinc/78/19/43/980781943.db2.gz JMMALBQXRASDGT-IUODEOHRSA-N 1 0 411.300 3.614 20 5 HHBDRO Cc1cc(OCC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)ccc1[N+](=O)[O-] ZINC000435581313 980949461 /nfs/dbraw/zinc/94/94/61/980949461.db2.gz YBIRONAONXHFTG-ZDUSSCGKSA-N 1 0 404.492 3.609 20 5 HHBDRO COc1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000435668321 980979626 /nfs/dbraw/zinc/97/96/26/980979626.db2.gz XJSNNQSBLPYAIB-MRXNPFEDSA-N 1 0 403.504 3.868 20 5 HHBDRO COc1cccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c1[N+](=O)[O-] ZINC000435755431 981017463 /nfs/dbraw/zinc/01/74/63/981017463.db2.gz JOUVUUWDCNJVQG-UHFFFAOYSA-N 1 0 401.488 3.713 20 5 HHBDRO COc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000435817164 981043863 /nfs/dbraw/zinc/04/38/63/981043863.db2.gz JXTRELWZGVZEJZ-QHCPKHFHSA-N 1 0 409.486 3.732 20 5 HHBDRO C[NH+](C)C1(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCCCC1 ZINC000435820448 981045041 /nfs/dbraw/zinc/04/50/41/981045041.db2.gz XCRMMHNRVYMDSM-UHFFFAOYSA-N 1 0 413.468 3.954 20 5 HHBDRO CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000435945632 981106801 /nfs/dbraw/zinc/10/68/01/981106801.db2.gz VWGCESANQLGHJZ-GHTZIAJQSA-N 1 0 410.518 3.999 20 5 HHBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436140503 981216544 /nfs/dbraw/zinc/21/65/44/981216544.db2.gz ROUPNWFGRFFEHI-KBPBESRZSA-N 1 0 413.468 3.810 20 5 HHBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c(OC(F)F)c1 ZINC000436333239 981305708 /nfs/dbraw/zinc/30/57/08/981305708.db2.gz IZEAAKTWDIPAQK-KRWDZBQOSA-N 1 0 407.417 3.765 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436334745 981307822 /nfs/dbraw/zinc/30/78/22/981307822.db2.gz AFFGTNYGLFGKBI-OAHLLOKOSA-N 1 0 409.412 3.895 20 5 HHBDRO Cn1cc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000436408011 981352541 /nfs/dbraw/zinc/35/25/41/981352541.db2.gz LRJKXBZFHWTJIY-MAUKXSAKSA-N 1 0 412.412 3.569 20 5 HHBDRO Cn1cc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000436408012 981352609 /nfs/dbraw/zinc/35/26/09/981352609.db2.gz LRJKXBZFHWTJIY-QAPCUYQASA-N 1 0 412.412 3.569 20 5 HHBDRO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000436727173 981534227 /nfs/dbraw/zinc/53/42/27/981534227.db2.gz YAAOVJDPIIQXOV-HXUWFJFHSA-N 1 0 422.529 3.721 20 5 HHBDRO O=C(c1ccccc1O)N1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000436824678 981578010 /nfs/dbraw/zinc/57/80/10/981578010.db2.gz AHMAYMOJDHMUQH-HXUWFJFHSA-N 1 0 409.486 3.516 20 5 HHBDRO CC1(C)C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000436985101 981667541 /nfs/dbraw/zinc/66/75/41/981667541.db2.gz CBFWTSWFAAZSTL-HXUWFJFHSA-N 1 0 409.486 3.917 20 5 HHBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000448280507 981669242 /nfs/dbraw/zinc/66/92/42/981669242.db2.gz FSJDBKGROGKWRG-AWEZNQCLSA-N 1 0 417.428 3.634 20 5 HHBDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000437040880 981710994 /nfs/dbraw/zinc/71/09/94/981710994.db2.gz JZVUDJMVEYXJAT-UHFFFAOYSA-N 1 0 424.501 3.566 20 5 HHBDRO CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000437094308 981758146 /nfs/dbraw/zinc/75/81/46/981758146.db2.gz VIBPQLRXGNTFPM-KRWDZBQOSA-N 1 0 407.392 3.960 20 5 HHBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000437698756 982304477 /nfs/dbraw/zinc/30/44/77/982304477.db2.gz WSESKSWLOKPIQF-SFHVURJKSA-N 1 0 412.490 3.979 20 5 HHBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000437938927 982473657 /nfs/dbraw/zinc/47/36/57/982473657.db2.gz IFVCYPWWTNGEPL-KAGYGMCKSA-N 1 0 424.501 3.662 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(F)cc1 ZINC000438012049 982523457 /nfs/dbraw/zinc/52/34/57/982523457.db2.gz LYHQRXMNNQYNFE-HXUWFJFHSA-N 1 0 400.454 3.711 20 5 HHBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000438544746 982882721 /nfs/dbraw/zinc/88/27/21/982882721.db2.gz HHKXZBATBBDFJS-UHFFFAOYSA-N 1 0 411.911 3.669 20 5 HHBDRO CC[NH+]1CCC(CCNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000461217661 982929808 /nfs/dbraw/zinc/92/98/08/982929808.db2.gz NDKUIGJXMOLHRE-HDICACEKSA-N 1 0 416.566 3.929 20 5 HHBDRO CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000438657183 982975573 /nfs/dbraw/zinc/97/55/73/982975573.db2.gz UBDRPSAQHLGQQG-YLJYHZDGSA-N 1 0 424.501 3.526 20 5 HHBDRO Cc1ccc(C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCc3ccccc32)cc1 ZINC000438752343 983045518 /nfs/dbraw/zinc/04/55/18/983045518.db2.gz GBNYIQPFTGQKAQ-JTHBVZDNSA-N 1 0 406.486 3.650 20 5 HHBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461440561 983104673 /nfs/dbraw/zinc/10/46/73/983104673.db2.gz YDILQDSEDMOSMU-ZWKOTPCHSA-N 1 0 404.470 3.670 20 5 HHBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461455373 983121344 /nfs/dbraw/zinc/12/13/44/983121344.db2.gz JXYYMFLLOPIHAY-PMACEKPBSA-N 1 0 420.513 3.763 20 5 HHBDRO CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cccs1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000461486107 983141143 /nfs/dbraw/zinc/14/11/43/983141143.db2.gz HGTTVCMXAXLBPU-SFHVURJKSA-N 1 0 424.530 3.636 20 5 HHBDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000439013904 983210083 /nfs/dbraw/zinc/21/00/83/983210083.db2.gz YTSIZZXJGSAGKA-FCLVOEFKSA-N 1 0 400.479 3.796 20 5 HHBDRO CC(C)c1ccc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000439103426 983250687 /nfs/dbraw/zinc/25/06/87/983250687.db2.gz UNZWXIWZGMJSQU-UHFFFAOYSA-N 1 0 424.501 3.796 20 5 HHBDRO Cc1c(CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000439169237 983288097 /nfs/dbraw/zinc/28/80/97/983288097.db2.gz MXIITJPCXAHETE-GMAHTHKFSA-N 1 0 407.514 3.959 20 5 HHBDRO COc1cc(C[NH+]2CCC([C@H]3CCCO3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000439267742 983339000 /nfs/dbraw/zinc/33/90/00/983339000.db2.gz AICUIXICSJBRNZ-MRXNPFEDSA-N 1 0 400.422 3.638 20 5 HHBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000439686096 983501350 /nfs/dbraw/zinc/50/13/50/983501350.db2.gz HXJRJPWLLQFALQ-CQSZACIVSA-N 1 0 417.428 3.776 20 5 HHBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000439872739 983563889 /nfs/dbraw/zinc/56/38/89/983563889.db2.gz MSUJHMFGUSYCSS-QZTJIDSGSA-N 1 0 417.531 3.655 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000439875268 983564984 /nfs/dbraw/zinc/56/49/84/983564984.db2.gz CWWGWWFFOGPLAQ-HDICACEKSA-N 1 0 410.474 3.589 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000440188654 983675982 /nfs/dbraw/zinc/67/59/82/983675982.db2.gz NWHCEMWFFMNFFJ-KRWDZBQOSA-N 1 0 423.517 3.889 20 5 HHBDRO C[C@@H](O)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441233322 984129315 /nfs/dbraw/zinc/12/93/15/984129315.db2.gz ZMVLVECEPNQBQL-UONOGXRCSA-N 1 0 402.882 3.939 20 5 HHBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCOc2ccc(OC)cc2[N+](=O)[O-])c(OC)c1 ZINC000441249847 984138069 /nfs/dbraw/zinc/13/80/69/984138069.db2.gz PIKPECYYJFGFSF-SFHVURJKSA-N 1 0 402.447 3.837 20 5 HHBDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000441386815 984223992 /nfs/dbraw/zinc/22/39/92/984223992.db2.gz XBIIFVNFNOGIAZ-FGZHOGPDSA-N 1 0 419.485 3.545 20 5 HHBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c([N+](=O)[O-])c1 ZINC000441499783 984289245 /nfs/dbraw/zinc/28/92/45/984289245.db2.gz LODUFKQRMISVAK-QGZVFWFLSA-N 1 0 400.431 3.591 20 5 HHBDRO COCC[N@@H+]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000441825625 984479849 /nfs/dbraw/zinc/47/98/49/984479849.db2.gz PITIJQVJOXUBNJ-UHFFFAOYSA-N 1 0 415.515 3.540 20 5 HHBDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000462114121 985084330 /nfs/dbraw/zinc/08/43/30/985084330.db2.gz ZFHHIUTXYGIAPU-NRFANRHFSA-N 1 0 417.531 3.797 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1SC ZINC000462156971 985130368 /nfs/dbraw/zinc/13/03/68/985130368.db2.gz FHCOTBPCXFYRQO-PBHICJAKSA-N 1 0 415.515 3.576 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000462288331 985275481 /nfs/dbraw/zinc/27/54/81/985275481.db2.gz JYISKFIAKLZMCY-ZDUSSCGKSA-N 1 0 422.334 3.541 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1C ZINC000462325130 985315183 /nfs/dbraw/zinc/31/51/83/985315183.db2.gz FOTGWIVSKQUKCL-DNVCBOLYSA-N 1 0 423.560 3.635 20 5 HHBDRO COc1cc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)ccc1[N+](=O)[O-] ZINC000462352695 985341522 /nfs/dbraw/zinc/34/15/22/985341522.db2.gz NZMDPKBFLBSOBI-CQSZACIVSA-N 1 0 419.503 3.764 20 5 HHBDRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000468033051 985688470 /nfs/dbraw/zinc/68/84/70/985688470.db2.gz FZZHJOZIYPOCEH-GFCCVEGCSA-N 1 0 405.838 3.542 20 5 HHBDRO CNc1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000462781271 985716298 /nfs/dbraw/zinc/71/62/98/985716298.db2.gz XTOIAMAAFNWEJT-ICSRJNTNSA-N 1 0 408.502 3.763 20 5 HHBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000462889817 985816304 /nfs/dbraw/zinc/81/63/04/985816304.db2.gz VDBPCUOAUDYWSN-UHFFFAOYSA-N 1 0 408.458 3.792 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443656835 985854732 /nfs/dbraw/zinc/85/47/32/985854732.db2.gz MTKYDRDIYBLCDO-HNNXBMFYSA-N 1 0 419.865 3.739 20 5 HHBDRO COc1ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000463034193 985993573 /nfs/dbraw/zinc/99/35/73/985993573.db2.gz MEVFUUVDIOXFNF-FQEVSTJZSA-N 1 0 408.458 3.826 20 5 HHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000468359764 986057664 /nfs/dbraw/zinc/05/76/64/986057664.db2.gz DXCICXMRXCRDPK-AWEZNQCLSA-N 1 0 420.307 3.698 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000443946313 986154574 /nfs/dbraw/zinc/15/45/74/986154574.db2.gz LSOXFLUQMREECG-UHFFFAOYSA-N 1 0 411.506 3.777 20 5 HHBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444002872 986201347 /nfs/dbraw/zinc/20/13/47/986201347.db2.gz KUNVVMFSAASUFR-ZIAGYGMSSA-N 1 0 413.468 3.952 20 5 HHBDRO CCOc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000444038757 986236216 /nfs/dbraw/zinc/23/62/16/986236216.db2.gz QMZYDSALAWSQBU-HUUCEWRRSA-N 1 0 408.499 3.729 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000468631060 986348077 /nfs/dbraw/zinc/34/80/77/986348077.db2.gz QFMFGGVWNHWGBZ-RVDMUPIBSA-N 1 0 423.560 3.880 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000468642491 986357594 /nfs/dbraw/zinc/35/75/94/986357594.db2.gz RVYMRBSHXMFXKY-BVZCLVNKSA-N 1 0 409.486 3.697 20 5 HHBDRO COc1cc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000468694459 986407152 /nfs/dbraw/zinc/40/71/52/986407152.db2.gz PECHPAYYWFDSBV-OALUTQOASA-N 1 0 400.422 3.542 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)nc2c1 ZINC000444642520 986828176 /nfs/dbraw/zinc/82/81/76/986828176.db2.gz AXUWKHGVMBARNK-HSZRJFAPSA-N 1 0 405.502 3.959 20 5 HHBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000444680444 986860790 /nfs/dbraw/zinc/86/07/90/986860790.db2.gz PDPAEAOCNNXGBV-AWEZNQCLSA-N 1 0 416.441 3.969 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000444743598 986909973 /nfs/dbraw/zinc/90/99/73/986909973.db2.gz JEUXNESTSMMAEZ-NSHDSACASA-N 1 0 408.252 3.655 20 5 HHBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444861091 987017932 /nfs/dbraw/zinc/01/79/32/987017932.db2.gz ROMHGMLDZABWJC-UHFFFAOYSA-N 1 0 421.566 3.773 20 5 HHBDRO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000444958844 987094677 /nfs/dbraw/zinc/09/46/77/987094677.db2.gz JOWSDLLJSXDFTH-ZHRRBRCNSA-N 1 0 401.510 3.770 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469446008 987133073 /nfs/dbraw/zinc/13/30/73/987133073.db2.gz JQSKBTRLMBUZCQ-QGZVFWFLSA-N 1 0 404.413 3.792 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)c1 ZINC000469446318 987133089 /nfs/dbraw/zinc/13/30/89/987133089.db2.gz NDPPTXOFTWEHQR-SFHVURJKSA-N 1 0 404.413 3.792 20 5 HHBDRO COc1cc(CNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000469769377 987421457 /nfs/dbraw/zinc/42/14/57/987421457.db2.gz PCHBRBHXYLOEIW-HOTGVXAUSA-N 1 0 401.482 3.989 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[NH+]2CCCC2)cc1 ZINC000445584480 987650675 /nfs/dbraw/zinc/65/06/75/987650675.db2.gz SEYWJHQXLBPWFH-JOCHJYFZSA-N 1 0 424.501 3.508 20 5 HHBDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000470117340 988019796 /nfs/dbraw/zinc/01/97/96/988019796.db2.gz ZEPUGWDLURGAIK-UXHICEINSA-N 1 0 414.437 3.842 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000470179109 988095411 /nfs/dbraw/zinc/09/54/11/988095411.db2.gz SEWAHDRPFIIHSK-UNOMPAQXSA-N 1 0 406.486 3.737 20 5 HHBDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000464498766 988673608 /nfs/dbraw/zinc/67/36/08/988673608.db2.gz QOOGXJBIRZWWIZ-MRXNPFEDSA-N 1 0 401.463 3.846 20 5 HHBDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000464617858 988794901 /nfs/dbraw/zinc/79/49/01/988794901.db2.gz MDJBBIXLEMCOCZ-ZDUSSCGKSA-N 1 0 401.467 3.504 20 5 HHBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000464673578 988872717 /nfs/dbraw/zinc/87/27/17/988872717.db2.gz VOYAXPNOVPFEKJ-FHWLQOOXSA-N 1 0 416.566 3.881 20 5 HHBDRO O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CC[NH+]2CCC1CC2 ZINC000470844324 988921522 /nfs/dbraw/zinc/92/15/22/988921522.db2.gz KLOKPMBKQFMJKR-UHFFFAOYSA-N 1 0 401.850 3.961 20 5 HHBDRO CC(C)NC(=O)c1ccc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000470872652 988940801 /nfs/dbraw/zinc/94/08/01/988940801.db2.gz KMTYZWVDLLTLFK-HXUWFJFHSA-N 1 0 410.518 3.834 20 5 HHBDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000464727795 988947783 /nfs/dbraw/zinc/94/77/83/988947783.db2.gz DWNPCWBMCWTDSP-MRXNPFEDSA-N 1 0 401.429 3.916 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000464848817 989100324 /nfs/dbraw/zinc/10/03/24/989100324.db2.gz XTVFDXAIUHPLST-AZUAARDMSA-N 1 0 410.518 3.684 20 5 HHBDRO CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000464856034 989109175 /nfs/dbraw/zinc/10/91/75/989109175.db2.gz RHTHCBTVXAVEBV-NSHDSACASA-N 1 0 404.330 3.759 20 5 HHBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000464986085 989290638 /nfs/dbraw/zinc/29/06/38/989290638.db2.gz NFSZAEPHNGYIEN-IBGZPJMESA-N 1 0 406.486 3.530 20 5 HHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471175406 989303688 /nfs/dbraw/zinc/30/36/88/989303688.db2.gz DNGRSCHBHUDJGJ-UHFFFAOYSA-N 1 0 412.534 3.916 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000471231567 989377089 /nfs/dbraw/zinc/37/70/89/989377089.db2.gz JKGWFONLSOGGIH-UHFFFAOYSA-N 1 0 412.490 3.634 20 5 HHBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471288157 989445350 /nfs/dbraw/zinc/44/53/50/989445350.db2.gz QSMYUOPRAAITRU-QGZVFWFLSA-N 1 0 417.893 3.655 20 5 HHBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000471490936 989687953 /nfs/dbraw/zinc/68/79/53/989687953.db2.gz GLTMTLAONCFKCL-KSSFIOAISA-N 1 0 403.870 3.800 20 5 HHBDRO COc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000471557914 989758465 /nfs/dbraw/zinc/75/84/65/989758465.db2.gz YLTPINLQCJHJTO-KZULUSFZSA-N 1 0 423.416 3.626 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000465751971 990138461 /nfs/dbraw/zinc/13/84/61/990138461.db2.gz JIPXICHLYRCASG-LPHOPBHVSA-N 1 0 402.520 3.581 20 5 HHBDRO CCc1ccc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000472015538 990184084 /nfs/dbraw/zinc/18/40/84/990184084.db2.gz FLBNOZKPVOJBBT-IBGZPJMESA-N 1 0 409.486 3.875 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000466564897 991879753 /nfs/dbraw/zinc/87/97/53/991879753.db2.gz SNSBVYGNRUJPLD-LJQANCHMSA-N 1 0 402.882 3.885 20 5 HHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000466585198 991902245 /nfs/dbraw/zinc/90/22/45/991902245.db2.gz FXFSZYRKKYXZHV-WMLDXEAASA-N 1 0 402.882 3.883 20 5 HHBDRO COCc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)o1 ZINC000467028922 992337146 /nfs/dbraw/zinc/33/71/46/992337146.db2.gz NZOZBCLXKCWYFY-KRWDZBQOSA-N 1 0 403.435 3.509 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000467232420 992554259 /nfs/dbraw/zinc/55/42/59/992554259.db2.gz XKABPWCHUOUKBO-PBHICJAKSA-N 1 0 402.882 3.710 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000467232421 992554453 /nfs/dbraw/zinc/55/44/53/992554453.db2.gz XKABPWCHUOUKBO-RHSMWYFYSA-N 1 0 402.882 3.710 20 5 HHBDRO CC[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000467414297 992717717 /nfs/dbraw/zinc/71/77/17/992717717.db2.gz SMYLXPZOVQCYFF-QGZVFWFLSA-N 1 0 411.911 3.658 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467448961 992744075 /nfs/dbraw/zinc/74/40/75/992744075.db2.gz HFPGUDOMPDIAAP-QRWLVFNGSA-N 1 0 416.909 3.958 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C[N@@H+]1Cc1ccccc1 ZINC000467696044 992952469 /nfs/dbraw/zinc/95/24/69/992952469.db2.gz SVWQCPCKDPDADS-DZGCQCFKSA-N 1 0 418.291 3.750 20 5 HHBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000472364266 993361638 /nfs/dbraw/zinc/36/16/38/993361638.db2.gz MSXLHAKGSXWVIF-OAQYLSRUSA-N 1 0 416.566 3.519 20 5 HHBDRO Cc1cc(N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000472501331 993500161 /nfs/dbraw/zinc/50/01/61/993500161.db2.gz PCRWLQRBTWNCLH-INIZCTEOSA-N 1 0 418.432 3.698 20 5 HHBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000480733521 993599291 /nfs/dbraw/zinc/59/92/91/993599291.db2.gz BATWVGYFBOUJTB-ICSRJNTNSA-N 1 0 415.515 3.517 20 5 HHBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000480737481 993603567 /nfs/dbraw/zinc/60/35/67/993603567.db2.gz IQTHAKYOSULNKN-RDJZCZTQSA-N 1 0 421.906 3.553 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCN(c3cncc4ccccc43)CC2)cccc1[N+](=O)[O-] ZINC000472760186 993699149 /nfs/dbraw/zinc/69/91/49/993699149.db2.gz SHGQYKSDPBOURG-UHFFFAOYSA-N 1 0 419.485 3.602 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1C ZINC000480964621 993804834 /nfs/dbraw/zinc/80/48/34/993804834.db2.gz RXHTWVLBZLJBQT-QGZVFWFLSA-N 1 0 417.531 3.716 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000481179384 994009351 /nfs/dbraw/zinc/00/93/51/994009351.db2.gz IIDLVFRXDIVJAJ-RXVVDRJESA-N 1 0 402.516 3.760 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4cccc(OC(F)F)c4)CC3)nc2c1 ZINC000481186069 994017277 /nfs/dbraw/zinc/01/72/77/994017277.db2.gz DFLCPBRCYVHJBB-UHFFFAOYSA-N 1 0 417.416 3.785 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000481200391 994034200 /nfs/dbraw/zinc/03/42/00/994034200.db2.gz QKYZAZUGQAEHTA-OXQOHEQNSA-N 1 0 407.474 3.645 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000481298920 994114639 /nfs/dbraw/zinc/11/46/39/994114639.db2.gz CUKORNMNZCXWAA-JOCHJYFZSA-N 1 0 410.474 3.733 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000473276051 994125646 /nfs/dbraw/zinc/12/56/46/994125646.db2.gz AYVXKFXPMFTLKX-HOTGVXAUSA-N 1 0 406.486 3.963 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000473283641 994132001 /nfs/dbraw/zinc/13/20/01/994132001.db2.gz OISBVTRLFBCLRY-BRLLKYFNSA-N 1 0 406.486 3.963 20 5 HHBDRO Cc1c(CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000481461274 994295807 /nfs/dbraw/zinc/29/58/07/994295807.db2.gz BCEDTQNVZCKWGC-FQEVSTJZSA-N 1 0 421.419 3.974 20 5 HHBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473499965 994346747 /nfs/dbraw/zinc/34/67/47/994346747.db2.gz VTVSYSKKWRIDHL-DEOSSOPVSA-N 1 0 423.513 3.878 20 5 HHBDRO Cc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000473529227 994386727 /nfs/dbraw/zinc/38/67/27/994386727.db2.gz VEHMCODIWMBFPU-UHFFFAOYSA-N 1 0 412.328 3.604 20 5 HHBDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 ZINC000473769167 994687993 /nfs/dbraw/zinc/68/79/93/994687993.db2.gz BVNBFCPXOIKIMF-IBGZPJMESA-N 1 0 400.479 3.734 20 5 HHBDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 ZINC000473781261 994703863 /nfs/dbraw/zinc/70/38/63/994703863.db2.gz XPJQPASYJFZWAO-UHFFFAOYSA-N 1 0 412.490 3.946 20 5 HHBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481869067 994731719 /nfs/dbraw/zinc/73/17/19/994731719.db2.gz VZKANSSIFHCESQ-RTWAWAEBSA-N 1 0 423.513 3.877 20 5 HHBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000481994906 994896573 /nfs/dbraw/zinc/89/65/73/994896573.db2.gz UWDSTPSSZAAHLO-AZUAARDMSA-N 1 0 424.501 3.657 20 5 HHBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482002420 994903842 /nfs/dbraw/zinc/90/38/42/994903842.db2.gz XQBDMEXRVIPFBU-INIZCTEOSA-N 1 0 411.911 3.706 20 5 HHBDRO CCC[C@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482109064 995056601 /nfs/dbraw/zinc/05/66/01/995056601.db2.gz IZMCRMRVIHWWBU-QFIPXVFZSA-N 1 0 410.518 3.765 20 5 HHBDRO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482280480 995259432 /nfs/dbraw/zinc/25/94/32/995259432.db2.gz BPGFCKZWWRPSAW-RTWAWAEBSA-N 1 0 408.502 3.791 20 5 HHBDRO Cc1cccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000482429263 995421551 /nfs/dbraw/zinc/42/15/51/995421551.db2.gz WULVJTVWTMKHET-UHFFFAOYSA-N 1 0 411.502 3.704 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000474508542 995469141 /nfs/dbraw/zinc/46/91/41/995469141.db2.gz HZLMDACQWBMREA-CYGODWOOSA-N 1 0 422.529 3.819 20 5 HHBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1Oc1ccccc1 ZINC000482492175 995502296 /nfs/dbraw/zinc/50/22/96/995502296.db2.gz SROFCVJHKNATFO-XPNTWCBSSA-N 1 0 422.485 3.710 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N(C)CC[N@H+](C)C3CC3)cc2[N+](=O)[O-])n1 ZINC000474582691 995542868 /nfs/dbraw/zinc/54/28/68/995542868.db2.gz NRNVFLRFGMBSPK-UHFFFAOYSA-N 1 0 406.533 3.677 20 5 HHBDRO C[NH+](C)CCc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000474628501 995576836 /nfs/dbraw/zinc/57/68/36/995576836.db2.gz UCSVVLLQKJNZFQ-UHFFFAOYSA-N 1 0 406.280 3.643 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000483102592 995975388 /nfs/dbraw/zinc/97/53/88/995975388.db2.gz VNBPUIGLZFSXGV-UHFFFAOYSA-N 1 0 403.504 3.577 20 5 HHBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000475224135 996007742 /nfs/dbraw/zinc/00/77/42/996007742.db2.gz NKYFYUKYFSEEPC-RHSMWYFYSA-N 1 0 408.545 3.951 20 5 HHBDRO CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475311750 996062077 /nfs/dbraw/zinc/06/20/77/996062077.db2.gz KPORWDZXQFKWAS-MRXNPFEDSA-N 1 0 418.291 3.704 20 5 HHBDRO COc1cc(CNC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c([N+](=O)[O-])cc1OC ZINC000475350179 996083561 /nfs/dbraw/zinc/08/35/61/996083561.db2.gz QLRYJPROSISBPM-UHFFFAOYSA-N 1 0 417.428 3.507 20 5 HHBDRO Cc1c(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000483349328 996116308 /nfs/dbraw/zinc/11/63/08/996116308.db2.gz FVBGFTDHOPQMBO-SWLSCSKDSA-N 1 0 411.300 3.756 20 5 HHBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000475449050 996147452 /nfs/dbraw/zinc/14/74/52/996147452.db2.gz WYSUWWJCZUHACP-UHFFFAOYSA-N 1 0 410.879 3.707 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1SC ZINC000483470788 996200926 /nfs/dbraw/zinc/20/09/26/996200926.db2.gz PFRJYCBRBLSAIE-GDBMZVCRSA-N 1 0 415.515 3.891 20 5 HHBDRO COC(=O)[C@]12C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C[C@H]1COCC2 ZINC000475552857 996215982 /nfs/dbraw/zinc/21/59/82/996215982.db2.gz SRIXZFHQJFKIDC-RNODOKPDSA-N 1 0 420.849 3.520 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc2[N+](=O)[O-])C1 ZINC000483555396 996247835 /nfs/dbraw/zinc/24/78/35/996247835.db2.gz CKPSUOHSVFFKIS-KVPLUYHFSA-N 1 0 414.550 3.633 20 5 HHBDRO COc1cc(C[NH2+]CCc2cccc(OCC(F)(F)F)c2)c([N+](=O)[O-])cc1O ZINC000475622875 996255831 /nfs/dbraw/zinc/25/58/31/996255831.db2.gz ZFMLDHVYBPMGRA-UHFFFAOYSA-N 1 0 400.353 3.582 20 5 HHBDRO Cc1nc(CN(C)[C@@H]2CCC[N@@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)no1 ZINC000475628396 996260506 /nfs/dbraw/zinc/26/05/06/996260506.db2.gz VPSXHVOOBKRUPK-GOSISDBHSA-N 1 0 401.511 3.896 20 5 HHBDRO CC(C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000475721488 996323405 /nfs/dbraw/zinc/32/34/05/996323405.db2.gz GHWOFQFYCYSMIT-AWEZNQCLSA-N 1 0 414.380 3.758 20 5 HHBDRO CCc1cc(N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000476047715 996565949 /nfs/dbraw/zinc/56/59/49/996565949.db2.gz GREWYQUZHDOICB-RTBURBONSA-N 1 0 413.547 3.630 20 5 HHBDRO COc1c(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cccc1[N+](=O)[O-] ZINC000476233586 996694436 /nfs/dbraw/zinc/69/44/36/996694436.db2.gz DRASPNBBFMLTCY-HSZRJFAPSA-N 1 0 409.486 3.732 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc1OC ZINC000484421170 996757229 /nfs/dbraw/zinc/75/72/29/996757229.db2.gz KZCLCFNNHAVERA-UHFFFAOYSA-N 1 0 407.511 3.777 20 5 HHBDRO COc1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000476367045 996798104 /nfs/dbraw/zinc/79/81/04/996798104.db2.gz XEHSWOVUBBMXEL-UYAOXDASSA-N 1 0 409.486 3.730 20 5 HHBDRO Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000484651488 996987613 /nfs/dbraw/zinc/98/76/13/996987613.db2.gz MEFKZFHWMKSLDK-SFTDATJTSA-N 1 0 418.515 3.657 20 5 HHBDRO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000484656940 996994659 /nfs/dbraw/zinc/99/46/59/996994659.db2.gz UCNNZVCVSPUOFK-YFVAEKQCSA-N 1 0 400.475 3.623 20 5 HHBDRO COc1c(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cccc1[N+](=O)[O-] ZINC000476547648 997039981 /nfs/dbraw/zinc/03/99/81/997039981.db2.gz NCQMQRJFUBNAPV-UHFFFAOYSA-N 1 0 409.486 3.732 20 5 HHBDRO CCOC(=O)c1cc(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000484750043 997093367 /nfs/dbraw/zinc/09/33/67/997093367.db2.gz BBVKLVDRRJMYFF-UHFFFAOYSA-N 1 0 413.474 3.542 20 5 HHBDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000484764478 997107083 /nfs/dbraw/zinc/10/70/83/997107083.db2.gz JHNIJLUXEQXRME-OAQYLSRUSA-N 1 0 420.437 3.709 20 5 HHBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](CCc3ccccc3)CC2)c(Br)c1 ZINC000485189944 997569024 /nfs/dbraw/zinc/56/90/24/997569024.db2.gz CGWATHUXPGXSGS-UHFFFAOYSA-N 1 0 405.296 3.871 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000477043929 997679108 /nfs/dbraw/zinc/67/91/08/997679108.db2.gz OBIDUZJQBHVPHL-OHZJNBGDSA-N 1 0 403.504 3.662 20 5 HHBDRO Cc1ccc(S(=O)(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000477097314 997751017 /nfs/dbraw/zinc/75/10/17/997751017.db2.gz FBDCVLFASMHUIA-KRWDZBQOSA-N 1 0 409.552 3.568 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000477142065 997798062 /nfs/dbraw/zinc/79/80/62/997798062.db2.gz VRZYYKRFUXMDMU-QGZVFWFLSA-N 1 0 414.550 3.968 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000477454049 998161675 /nfs/dbraw/zinc/16/16/75/998161675.db2.gz GVVURHMBSKKQSX-HXUWFJFHSA-N 1 0 415.465 3.628 20 5 HHBDRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000485719725 998189077 /nfs/dbraw/zinc/18/90/77/998189077.db2.gz PGUGGULTCXKTTH-AFCDSYGPSA-N 1 0 415.515 3.841 20 5 HHBDRO COc1ccc([C@H](CNC(=O)c2cccc(SC)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000485748105 998219484 /nfs/dbraw/zinc/21/94/84/998219484.db2.gz ITAPBSAEEHWSGG-SFHVURJKSA-N 1 0 415.515 3.892 20 5 HHBDRO COCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 ZINC000485813352 998280213 /nfs/dbraw/zinc/28/02/13/998280213.db2.gz JAQOYPKSHMJNEU-UHFFFAOYSA-N 1 0 409.552 3.574 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])c1 ZINC000485841424 998306707 /nfs/dbraw/zinc/30/67/07/998306707.db2.gz AJCDXLQTSVCOKF-LBPRGKRZSA-N 1 0 400.460 3.893 20 5 HHBDRO COc1cccc(CN(CC[NH+](C)C)c2ncc([N+](=O)[O-])c(C)c2Br)c1 ZINC000477719248 998444909 /nfs/dbraw/zinc/44/49/09/998444909.db2.gz ZFQKEMDAVQDUHU-UHFFFAOYSA-N 1 0 423.311 3.638 20 5 HHBDRO Cc1c(Br)c(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)ncc1[N+](=O)[O-] ZINC000486028679 998475688 /nfs/dbraw/zinc/47/56/88/998475688.db2.gz MFPAUEIZYQVQKN-YOEHRIQHSA-N 1 0 420.311 3.585 20 5 HHBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000486063079 998511472 /nfs/dbraw/zinc/51/14/72/998511472.db2.gz HZSKNJFCAPYCJG-QGPMSJSTSA-N 1 0 406.504 3.794 20 5 HHBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000486064419 998511786 /nfs/dbraw/zinc/51/17/86/998511786.db2.gz BJJWIHPXMLLGPG-UHFFFAOYSA-N 1 0 417.456 3.583 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccc(CNc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)C[C@@H](C)O1 ZINC000486156753 998606306 /nfs/dbraw/zinc/60/63/06/998606306.db2.gz LMGNXDKPMPCVKA-HZPDHXFCSA-N 1 0 423.473 3.866 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000477951179 998677538 /nfs/dbraw/zinc/67/75/38/998677538.db2.gz LVRMCVSGCAWSTJ-IPJUCJBFSA-N 1 0 423.517 3.910 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000478034236 998725454 /nfs/dbraw/zinc/72/54/54/998725454.db2.gz GGWOSKGOOBGYTD-AVRDEDQJSA-N 1 0 414.550 3.677 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000478037553 998728138 /nfs/dbraw/zinc/72/81/38/998728138.db2.gz RSCJLEXURISGTL-JOCHJYFZSA-N 1 0 408.502 3.573 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000486750404 998922174 /nfs/dbraw/zinc/92/21/74/998922174.db2.gz GBEURSYAHHMTQE-ROUUACIJSA-N 1 0 411.506 3.507 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000478401912 998938888 /nfs/dbraw/zinc/93/88/88/998938888.db2.gz YHDUXTJVJGGQKM-UHFFFAOYSA-N 1 0 412.490 3.614 20 5 HHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486833556 998962984 /nfs/dbraw/zinc/96/29/84/998962984.db2.gz QECABDILBSKBQU-QVKFZJNVSA-N 1 0 409.421 3.733 20 5 HHBDRO CCNC(=O)C1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCC1 ZINC000486904717 998999713 /nfs/dbraw/zinc/99/97/13/998999713.db2.gz ZHQGYHJZOFHAFK-UHFFFAOYSA-N 1 0 401.438 3.922 20 5 HHBDRO COc1cc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc([N+](=O)[O-])c1OC ZINC000478613117 999047060 /nfs/dbraw/zinc/04/70/60/999047060.db2.gz ZYGJAWOKFLRNQQ-MRXNPFEDSA-N 1 0 419.522 3.729 20 5 HHBDRO C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487285110 999124252 /nfs/dbraw/zinc/12/42/52/999124252.db2.gz HPOKNCHHPWNBBP-LPHOPBHVSA-N 1 0 408.502 3.810 20 5 HHBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487297900 999127643 /nfs/dbraw/zinc/12/76/43/999127643.db2.gz MEWMTKWIOALUOP-WMZOPIPTSA-N 1 0 404.470 3.783 20 5 HHBDRO C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487423097 999171411 /nfs/dbraw/zinc/17/14/11/999171411.db2.gz YKDLIMGVYHNWNW-WMZOPIPTSA-N 1 0 406.486 3.645 20 5 HHBDRO CC(C)(NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000487532256 999208554 /nfs/dbraw/zinc/20/85/54/999208554.db2.gz ZEPRTJYZPLAIRR-SFHVURJKSA-N 1 0 400.479 3.949 20 5 HHBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487876922 999301786 /nfs/dbraw/zinc/30/17/86/999301786.db2.gz RCYNVUSUOXYTDV-IBGZPJMESA-N 1 0 414.550 3.923 20 5 HHBDRO Cc1ccc([C@@H](C)NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000487980991 999335402 /nfs/dbraw/zinc/33/54/02/999335402.db2.gz MKWWGYVWZKDVRN-LJQANCHMSA-N 1 0 410.518 3.683 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000488011132 999347581 /nfs/dbraw/zinc/34/75/81/999347581.db2.gz XSWVJGCQTFSUJC-IEBWSBKVSA-N 1 0 402.882 3.535 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000479436700 999416414 /nfs/dbraw/zinc/41/64/14/999416414.db2.gz KNLOVYBDGGLHLO-GOSISDBHSA-N 1 0 402.539 3.823 20 5 HHBDRO COC(=O)c1sc2ccccc2c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488715317 999585357 /nfs/dbraw/zinc/58/53/57/999585357.db2.gz AWHBGGWKGVNDCE-UHFFFAOYSA-N 1 0 400.460 3.630 20 5 HHBDRO CCc1[nH]nc(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000479860345 999627916 /nfs/dbraw/zinc/62/79/16/999627916.db2.gz DGOXDKZFIBXFDH-UHFFFAOYSA-N 1 0 411.506 3.541 20 5 HHBDRO COc1cccc(C2=CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)c1 ZINC000479890903 999638203 /nfs/dbraw/zinc/63/82/03/999638203.db2.gz VULUGTZKDLTAGS-UHFFFAOYSA-N 1 0 411.458 3.730 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000488946066 999654490 /nfs/dbraw/zinc/65/44/90/999654490.db2.gz QUZCNMPGKUODSD-UHFFFAOYSA-N 1 0 408.502 3.907 20 5 HHBDRO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc2ccccc2c1 ZINC000489002656 999669111 /nfs/dbraw/zinc/66/91/11/999669111.db2.gz AKFDABZGWYRKIH-SJORKVTESA-N 1 0 421.501 3.847 20 5 HHBDRO COc1ccccc1[C@H](CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1)[NH+](C)C ZINC000489318162 999744876 /nfs/dbraw/zinc/74/48/76/999744876.db2.gz YIGQHNLSFBLKFY-IBGZPJMESA-N 1 0 407.474 3.506 20 5 HHBDRO C[NH+](C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCSC1 ZINC000480276855 999761408 /nfs/dbraw/zinc/76/14/08/999761408.db2.gz JDQMUJYRLVOFLL-FQEVSTJZSA-N 1 0 401.488 3.554 20 5 HHBDRO Cc1ccc(C[NH+]2CCCC2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000489489830 999777234 /nfs/dbraw/zinc/77/72/34/999777234.db2.gz XUAUZDBJADQZHI-UHFFFAOYSA-N 1 0 403.504 3.917 20 5 HHBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000489551427 999790466 /nfs/dbraw/zinc/79/04/66/999790466.db2.gz ORLYQBYUHWXWDV-UHFFFAOYSA-N 1 0 423.517 3.852 20 5 HHBDRO COc1cccc(C(=O)NCC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000490129848 999897396 /nfs/dbraw/zinc/89/73/96/999897396.db2.gz HRFLWFGLUBRHJC-QFIPXVFZSA-N 1 0 405.454 3.712 20 5 HHBDRO CS(=O)(=O)Nc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000490184617 999906742 /nfs/dbraw/zinc/90/67/42/999906742.db2.gz MJCYNDFQMDYZKH-OAQYLSRUSA-N 1 0 411.483 3.846 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000490405102 999952469 /nfs/dbraw/zinc/95/24/69/999952469.db2.gz VPAGBSGLVHUUDE-PBHICJAKSA-N 1 0 407.312 3.945 20 5 HHBDRO C[C@@]1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCC[N@@H+]1Cc1ccccc1 ZINC000490519786 999971365 /nfs/dbraw/zinc/97/13/65/999971365.db2.gz IBFZTWSOXMJLRL-QHCPKHFHSA-N 1 0 419.485 3.565 20 5 HHBDRO C[C@@]1(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCC[N@@H+]1Cc1ccccc1 ZINC000490529555 999973066 /nfs/dbraw/zinc/97/30/66/999973066.db2.gz YBPGZVPHCIQDFI-QHCPKHFHSA-N 1 0 419.485 3.565 20 5 HHBDRO O=C(CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000490805714 1000008996 /nfs/dbraw/zinc/00/89/96/1000008996.db2.gz YXSQOIGKLZQTCH-UHFFFAOYSA-N 1 0 422.485 3.715 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491059167 1000040677 /nfs/dbraw/zinc/04/06/77/1000040677.db2.gz JSTIEHKKADECAB-KRWDZBQOSA-N 1 0 421.444 3.611 20 5 HHBDRO COc1cc(C[NH2+]CCn2c(C)nc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000491060150 1000040914 /nfs/dbraw/zinc/04/09/14/1000040914.db2.gz NADHBJKGIZXSOB-UHFFFAOYSA-N 1 0 420.416 3.695 20 5 HHBDRO C[NH+]1CCN(c2ccc(CN[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000491302586 1000063077 /nfs/dbraw/zinc/06/30/77/1000063077.db2.gz CREXMXGPYMKWCG-XMMPIXPASA-N 1 0 417.513 3.621 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccs1 ZINC000491962788 1000102665 /nfs/dbraw/zinc/10/26/65/1000102665.db2.gz WZIXRICZIFDZTC-CQSZACIVSA-N 1 0 416.425 3.777 20 5 HHBDRO COc1cc(CNCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000492068434 1000108004 /nfs/dbraw/zinc/10/80/04/1000108004.db2.gz NOCCSYJTRFNWOA-AWEZNQCLSA-N 1 0 415.481 3.847 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000492356227 1000123251 /nfs/dbraw/zinc/12/32/51/1000123251.db2.gz ZXRVLHXJVGZPLA-GOSISDBHSA-N 1 0 402.539 3.825 20 5 HHBDRO CC[C@H](NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000493133450 1000159165 /nfs/dbraw/zinc/15/91/65/1000159165.db2.gz PMDUXGRAHRAEGD-FIKGOQFSSA-N 1 0 418.538 3.577 20 5 HHBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000493972938 1000246317 /nfs/dbraw/zinc/24/63/17/1000246317.db2.gz FIEPPHOYTSJCJT-QGZVFWFLSA-N 1 0 408.483 3.723 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494029594 1000276492 /nfs/dbraw/zinc/27/64/92/1000276492.db2.gz QKNMVRCRBVIPMJ-GJZGRUSLSA-N 1 0 402.438 3.931 20 5 HHBDRO C[C@H]1[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000494046869 1000282328 /nfs/dbraw/zinc/28/23/28/1000282328.db2.gz HFDVBWCWQJPRIM-GUYCJALGSA-N 1 0 418.291 3.750 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1[N+](=O)[O-] ZINC000504894044 1000433162 /nfs/dbraw/zinc/43/31/62/1000433162.db2.gz JPHFFFWGROGVAA-IXDOHACOSA-N 1 0 414.506 3.853 20 5 HHBDRO CCOc1ccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000504894634 1000433635 /nfs/dbraw/zinc/43/36/35/1000433635.db2.gz NFGRZDMNQZGHPJ-YYWHXJBOSA-N 1 0 413.518 3.527 20 5 HHBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(c1ccccc1)C1CC[NH+](CC)CC1 ZINC000494449597 1000497963 /nfs/dbraw/zinc/49/79/63/1000497963.db2.gz CUVUGPQSGIHXPF-UHFFFAOYSA-N 1 0 417.531 3.837 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494474350 1000511750 /nfs/dbraw/zinc/51/17/50/1000511750.db2.gz MHLPEOFOBPOFFS-PKOBYXMFSA-N 1 0 407.829 3.754 20 5 HHBDRO O=C(CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000494477615 1000513740 /nfs/dbraw/zinc/51/37/40/1000513740.db2.gz SQABAFDERBKEEK-PKOBYXMFSA-N 1 0 407.829 3.836 20 5 HHBDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494495176 1000523506 /nfs/dbraw/zinc/52/35/06/1000523506.db2.gz MKZPJCSEPWVLNK-FJNPEDAXSA-N 1 0 407.829 3.834 20 5 HHBDRO CC(C)[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000494887199 1000712529 /nfs/dbraw/zinc/71/25/29/1000712529.db2.gz CHWWKNPHWQJARC-MRXNPFEDSA-N 1 0 402.417 3.533 20 5 HHBDRO COc1ccc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000495111584 1000847335 /nfs/dbraw/zinc/84/73/35/1000847335.db2.gz XHBRLICSOLXGML-CTNGQTDRSA-N 1 0 411.502 3.708 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000495180695 1000903296 /nfs/dbraw/zinc/90/32/96/1000903296.db2.gz AJKXSGQDLQMQEZ-PKOBYXMFSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1ccc(C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C2CC2)cc1 ZINC000505564097 1000907191 /nfs/dbraw/zinc/90/71/91/1000907191.db2.gz KXUISPWORYXARJ-INIZCTEOSA-N 1 0 409.486 3.793 20 5 HHBDRO C[NH+](C)CC[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)(C)C ZINC000495232152 1000927209 /nfs/dbraw/zinc/92/72/09/1000927209.db2.gz XHSRHZCGUXOHOE-HNNXBMFYSA-N 1 0 404.433 3.779 20 5 HHBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)C2)C1 ZINC000505632988 1000945125 /nfs/dbraw/zinc/94/51/25/1000945125.db2.gz NWCDEKDFOPHNLW-QHCPKHFHSA-N 1 0 411.452 3.517 20 5 HHBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000495290265 1000954262 /nfs/dbraw/zinc/95/42/62/1000954262.db2.gz MZFIRNWTDPQTKA-LBPRGKRZSA-N 1 0 419.469 3.894 20 5 HHBDRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1[N+](=O)[O-] ZINC000495394826 1000998161 /nfs/dbraw/zinc/99/81/61/1000998161.db2.gz SPFOYGVRIFHTLX-QGZVFWFLSA-N 1 0 411.502 3.599 20 5 HHBDRO O=C(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1cccc(Br)c1 ZINC000495425390 1001007650 /nfs/dbraw/zinc/00/76/50/1001007650.db2.gz ANNLLQMYJCMKFD-KRWDZBQOSA-N 1 0 418.291 3.907 20 5 HHBDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000495428334 1001009654 /nfs/dbraw/zinc/00/96/54/1001009654.db2.gz WRHGLQNFTCBZNQ-ZDUSSCGKSA-N 1 0 411.911 3.903 20 5 HHBDRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000505816836 1001041309 /nfs/dbraw/zinc/04/13/09/1001041309.db2.gz BMPULAGFIUUTMZ-UHFFFAOYSA-N 1 0 402.476 3.723 20 5 HHBDRO COC(=O)C1CC[NH+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000505853855 1001062087 /nfs/dbraw/zinc/06/20/87/1001062087.db2.gz VUQHWKUJNHRCDB-UHFFFAOYSA-N 1 0 414.458 3.567 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000505919177 1001100584 /nfs/dbraw/zinc/10/05/84/1001100584.db2.gz ONQCTIAUGVMVOM-MOPGFXCFSA-N 1 0 402.539 3.900 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000505930416 1001109131 /nfs/dbraw/zinc/10/91/31/1001109131.db2.gz NWDPHJJGMKFUQL-IRXDYDNUSA-N 1 0 400.523 3.896 20 5 HHBDRO Cn1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506008447 1001158701 /nfs/dbraw/zinc/15/87/01/1001158701.db2.gz CABSMYYOMSGLIL-LJQANCHMSA-N 1 0 423.473 3.545 20 5 HHBDRO COc1cc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000497201204 1001280415 /nfs/dbraw/zinc/28/04/15/1001280415.db2.gz VDADHYPJXONEAP-IUODEOHRSA-N 1 0 406.401 3.527 20 5 HHBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506248782 1001306100 /nfs/dbraw/zinc/30/61/00/1001306100.db2.gz YJNPOSKDXBRJNN-OAQYLSRUSA-N 1 0 419.485 3.500 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000497404409 1001341806 /nfs/dbraw/zinc/34/18/06/1001341806.db2.gz WFVYIBIGBRAOLX-UIFIKXQLSA-N 1 0 422.529 3.659 20 5 HHBDRO COC(=O)[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000506310986 1001345505 /nfs/dbraw/zinc/34/55/05/1001345505.db2.gz URNUHWBXAOEMDI-SFHVURJKSA-N 1 0 420.469 3.833 20 5 HHBDRO COc1ccc(CCC[N@H+](C)[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000497455482 1001375003 /nfs/dbraw/zinc/37/50/03/1001375003.db2.gz HMXFATKKTDXYEO-HNNXBMFYSA-N 1 0 401.463 3.504 20 5 HHBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(OC)c1 ZINC000506601948 1001468370 /nfs/dbraw/zinc/46/83/70/1001468370.db2.gz NLEFZXMMZKWELL-GDBMZVCRSA-N 1 0 401.463 3.988 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000497691338 1001486433 /nfs/dbraw/zinc/48/64/33/1001486433.db2.gz OICBKWIYLDZYGB-KRWDZBQOSA-N 1 0 408.886 3.766 20 5 HHBDRO C[NH+](C)C1(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCCCCC1 ZINC000497697640 1001488705 /nfs/dbraw/zinc/48/87/05/1001488705.db2.gz ZZFWNOPAPNEUST-UHFFFAOYSA-N 1 0 417.428 3.920 20 5 HHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000497753595 1001504708 /nfs/dbraw/zinc/50/47/08/1001504708.db2.gz RIFLCUHOPQHONP-MRXNPFEDSA-N 1 0 421.457 3.554 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCCC1 ZINC000497773664 1001510587 /nfs/dbraw/zinc/51/05/87/1001510587.db2.gz LQBYZXZRJZPAMT-FQEVSTJZSA-N 1 0 420.469 3.719 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1 ZINC000497901631 1001557593 /nfs/dbraw/zinc/55/75/93/1001557593.db2.gz WCPBMBUSSUCERR-UHFFFAOYSA-N 1 0 409.458 3.799 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000497981855 1001589646 /nfs/dbraw/zinc/58/96/46/1001589646.db2.gz FGRZVEINWOKWFZ-YJBOKZPZSA-N 1 0 421.494 3.580 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)cc1OC ZINC000498116874 1001647732 /nfs/dbraw/zinc/64/77/32/1001647732.db2.gz GXNYSXOWKHHLQN-UHFFFAOYSA-N 1 0 415.490 3.515 20 5 HHBDRO Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)ccc1[N+](=O)[O-] ZINC000507255290 1001938331 /nfs/dbraw/zinc/93/83/31/1001938331.db2.gz FNEKAHGRFHJHOO-NRFANRHFSA-N 1 0 423.513 3.562 20 5 HHBDRO C[NH+](C)CCOc1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000498525983 1001947205 /nfs/dbraw/zinc/94/72/05/1001947205.db2.gz NERWSKFJUTYDBN-UHFFFAOYSA-N 1 0 412.471 3.911 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498642958 1002044472 /nfs/dbraw/zinc/04/44/72/1002044472.db2.gz HJUOPIAHNLRSMA-UHFFFAOYSA-N 1 0 420.469 3.600 20 5 HHBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507613578 1002219565 /nfs/dbraw/zinc/21/95/65/1002219565.db2.gz SFYALWSKZYHUJX-MRXNPFEDSA-N 1 0 407.474 3.877 20 5 HHBDRO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000507718998 1002308320 /nfs/dbraw/zinc/30/83/20/1002308320.db2.gz QSSJKPCDDPMHRW-HNNXBMFYSA-N 1 0 418.444 3.580 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000507833899 1002375560 /nfs/dbraw/zinc/37/55/60/1002375560.db2.gz PVESUNMLXQFYPJ-UHFFFAOYSA-N 1 0 417.531 3.667 20 5 HHBDRO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000499238803 1002629423 /nfs/dbraw/zinc/62/94/23/1002629423.db2.gz XBSCZFYLIJJYCA-UHFFFAOYSA-N 1 0 406.870 3.744 20 5 HHBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000508159350 1002697125 /nfs/dbraw/zinc/69/71/25/1002697125.db2.gz CQODEGIJAPSDAF-UHFFFAOYSA-N 1 0 413.468 3.955 20 5 HHBDRO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000508531797 1003009959 /nfs/dbraw/zinc/00/99/59/1003009959.db2.gz AKGIEWWHROKARP-HXUWFJFHSA-N 1 0 424.501 3.577 20 5 HHBDRO CC[NH+](CC)CCOc1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)ccc1OC ZINC000499853318 1003189569 /nfs/dbraw/zinc/18/95/69/1003189569.db2.gz HHBUUGUROGVCTJ-UHFFFAOYSA-N 1 0 401.463 3.885 20 5 HHBDRO CC[NH+](CC)CCOc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000499863267 1003200572 /nfs/dbraw/zinc/20/05/72/1003200572.db2.gz NCFLYGDCTCDAPJ-UHFFFAOYSA-N 1 0 401.463 3.885 20 5 HHBDRO CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000500002650 1003324335 /nfs/dbraw/zinc/32/43/35/1003324335.db2.gz IDMDDOFNOBQZND-CRAIPNDOSA-N 1 0 407.474 3.769 20 5 HHBDRO CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000500002651 1003324941 /nfs/dbraw/zinc/32/49/41/1003324941.db2.gz IDMDDOFNOBQZND-MAUKXSAKSA-N 1 0 407.474 3.769 20 5 HHBDRO C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000500095001 1003456747 /nfs/dbraw/zinc/45/67/47/1003456747.db2.gz XEAKOYGVODPONO-ICSRJNTNSA-N 1 0 410.518 3.908 20 5 HHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000509262103 1003663022 /nfs/dbraw/zinc/66/30/22/1003663022.db2.gz GIQJHKWRDMARNA-UHFFFAOYSA-N 1 0 411.506 3.574 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCCC34CC[NH+](C)CC4)cc2[N+](=O)[O-])C1 ZINC000509294060 1003688349 /nfs/dbraw/zinc/68/83/49/1003688349.db2.gz NFWLBYRKQCOHDB-HDICACEKSA-N 1 0 414.550 3.778 20 5 HHBDRO C[C@H]([NH2+]C1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)CCOCC1)c1ccccc1 ZINC000500463765 1003731399 /nfs/dbraw/zinc/73/13/99/1003731399.db2.gz FVPPDCICHULDPU-INIZCTEOSA-N 1 0 422.485 3.706 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)[NH+]1CCCCC1 ZINC000511834696 1003811067 /nfs/dbraw/zinc/81/10/67/1003811067.db2.gz MAKPBXIVQYULHJ-LJQANCHMSA-N 1 0 413.474 3.569 20 5 HHBDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1[N+](=O)[O-] ZINC000511847796 1003826834 /nfs/dbraw/zinc/82/68/34/1003826834.db2.gz SCYLIDPIABXBRP-QGZVFWFLSA-N 1 0 407.392 3.926 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2[N+](=O)[O-])n1 ZINC000511972743 1003928759 /nfs/dbraw/zinc/92/87/59/1003928759.db2.gz NGNWIDRKEDTQTN-ZDUSSCGKSA-N 1 0 406.533 3.535 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000500737668 1003928958 /nfs/dbraw/zinc/92/89/58/1003928958.db2.gz BXOSOFNGIGMYON-UHFFFAOYSA-N 1 0 419.485 3.937 20 5 HHBDRO COc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509567885 1003949953 /nfs/dbraw/zinc/94/99/53/1003949953.db2.gz GXDFXUOOMSVNBR-WOJBJXKFSA-N 1 0 411.502 3.899 20 5 HHBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000509664030 1004013605 /nfs/dbraw/zinc/01/36/05/1004013605.db2.gz HXLGJUDFRVPNIK-UHFFFAOYSA-N 1 0 412.328 3.860 20 5 HHBDRO CC(C)c1ccc(C[NH2+]CCN2CCN(C(=O)C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000500889221 1004030865 /nfs/dbraw/zinc/03/08/65/1004030865.db2.gz BTODGLMFJDOEFY-UHFFFAOYSA-N 1 0 416.566 3.532 20 5 HHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000509737082 1004062013 /nfs/dbraw/zinc/06/20/13/1004062013.db2.gz VNWIOJMCPKMWMS-UHFFFAOYSA-N 1 0 411.506 3.574 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000512183361 1004085383 /nfs/dbraw/zinc/08/53/83/1004085383.db2.gz KFUFFMUEQDBOJC-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO COc1ccccc1COC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000500972750 1004087194 /nfs/dbraw/zinc/08/71/94/1004087194.db2.gz AJSRUKBAOVUYGP-UHFFFAOYSA-N 1 0 413.474 3.613 20 5 HHBDRO CC[C@@H](C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000501035015 1004138826 /nfs/dbraw/zinc/13/88/26/1004138826.db2.gz FUUOUYCKKLGHNQ-OAHLLOKOSA-N 1 0 423.473 3.873 20 5 HHBDRO CC(C)(C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(F)cc1 ZINC000501037023 1004140031 /nfs/dbraw/zinc/14/00/31/1004140031.db2.gz PQCCCVTZUNZZBS-UHFFFAOYSA-N 1 0 416.453 3.802 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000512283365 1004185218 /nfs/dbraw/zinc/18/52/18/1004185218.db2.gz YVQCWAMIAKJIQJ-INIZCTEOSA-N 1 0 414.481 3.675 20 5 HHBDRO C[NH+](C)C[C@@H]1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000512303773 1004204321 /nfs/dbraw/zinc/20/43/21/1004204321.db2.gz WKBXCVIYQXCOBE-YWZLYKJASA-N 1 0 416.909 3.812 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000510022773 1004271505 /nfs/dbraw/zinc/27/15/05/1004271505.db2.gz GWDIDGDDGYHRNC-UHFFFAOYSA-N 1 0 410.312 3.756 20 5 HHBDRO O=C([C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N1CCSCC1 ZINC000512669557 1004478766 /nfs/dbraw/zinc/47/87/66/1004478766.db2.gz VIWVXOUEIJVGDH-GOSISDBHSA-N 1 0 417.556 3.863 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCOc2c(Br)cccc21 ZINC000501528646 1004492266 /nfs/dbraw/zinc/49/22/66/1004492266.db2.gz DNEBJTFRYGAVKX-CQSZACIVSA-N 1 0 420.263 3.718 20 5 HHBDRO C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512693964 1004499012 /nfs/dbraw/zinc/49/90/12/1004499012.db2.gz LUYBDPPJFGCJAI-WMZOPIPTSA-N 1 0 400.523 3.922 20 5 HHBDRO C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512698205 1004502289 /nfs/dbraw/zinc/50/22/89/1004502289.db2.gz HKPHYCBODLPAEZ-OLZOCXBDSA-N 1 0 412.437 3.971 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000510413087 1004549150 /nfs/dbraw/zinc/54/91/50/1004549150.db2.gz GXYXUXSDQPNOLH-UHFFFAOYSA-N 1 0 423.448 3.615 20 5 HHBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[NH+](C)C ZINC000510538567 1004671450 /nfs/dbraw/zinc/67/14/50/1004671450.db2.gz KUBUCIPQOBXJQZ-IIBYNOLFSA-N 1 0 407.474 3.510 20 5 HHBDRO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000501749826 1004678494 /nfs/dbraw/zinc/67/84/94/1004678494.db2.gz XGVDXLFRPKJJPV-GOSISDBHSA-N 1 0 405.458 3.950 20 5 HHBDRO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000501766142 1004702513 /nfs/dbraw/zinc/70/25/13/1004702513.db2.gz XOLXUZBXSNDCSI-GOSISDBHSA-N 1 0 405.458 3.950 20 5 HHBDRO COc1ccc(-c2ccc(C[NH+]3CCC(N4CCO[C@@H](C)C4)CC3)o2)c([N+](=O)[O-])c1 ZINC000510561182 1004704405 /nfs/dbraw/zinc/70/44/05/1004704405.db2.gz UYEYLYNOGRUKHB-INIZCTEOSA-N 1 0 415.490 3.549 20 5 HHBDRO CCC[C@H]([NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)c1cccc([N+](=O)[O-])c1 ZINC000502020370 1004865066 /nfs/dbraw/zinc/86/50/66/1004865066.db2.gz VUZXCQMIALXYMC-VABKMULXSA-N 1 0 422.529 3.625 20 5 HHBDRO CCCC[NH+]1CCC(NC(=O)Nc2cc(OCC)c(OCC)cc2[N+](=O)[O-])CC1 ZINC000502205227 1004957418 /nfs/dbraw/zinc/95/74/18/1004957418.db2.gz FAPVZWHCOQKCML-UHFFFAOYSA-N 1 0 408.499 3.778 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(Cl)c1 ZINC000511048032 1004996354 /nfs/dbraw/zinc/99/63/54/1004996354.db2.gz PPEISHKQOOZCIT-UHFFFAOYSA-N 1 0 423.922 3.713 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)c1 ZINC000511087816 1005012744 /nfs/dbraw/zinc/01/27/44/1005012744.db2.gz BWAVLYNBHCKBEV-LAUBAEHRSA-N 1 0 406.429 3.896 20 5 HHBDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511105271 1005020740 /nfs/dbraw/zinc/02/07/40/1005020740.db2.gz IPESCSHWHYMLCT-UHFFFAOYSA-N 1 0 421.501 3.900 20 5 HHBDRO Cc1ccc(Sc2ccc(CN(C)C3CC[NH+](CCO)CC3)cc2[N+](=O)[O-])cc1 ZINC000513563274 1005025373 /nfs/dbraw/zinc/02/53/73/1005025373.db2.gz JVKICDKAYYFUOC-UHFFFAOYSA-N 1 0 415.559 3.943 20 5 HHBDRO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCCC[N@@H+]3Cc3cccc(Cl)c3)nn21 ZINC000502352947 1005029939 /nfs/dbraw/zinc/02/99/39/1005029939.db2.gz MUTFRIYTYWWZFO-MRXNPFEDSA-N 1 0 400.870 3.758 20 5 HHBDRO COCCCNC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000511155953 1005049199 /nfs/dbraw/zinc/04/91/99/1005049199.db2.gz HPAZSSSWXWFITA-UHFFFAOYSA-N 1 0 417.531 3.688 20 5 HHBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000502447847 1005079364 /nfs/dbraw/zinc/07/93/64/1005079364.db2.gz GZWYFQAYBKVDRI-LJQANCHMSA-N 1 0 405.542 3.926 20 5 HHBDRO C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511253264 1005092916 /nfs/dbraw/zinc/09/29/16/1005092916.db2.gz NPCMTWCOTZIOMQ-MOPGFXCFSA-N 1 0 417.553 3.924 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000513726307 1005098558 /nfs/dbraw/zinc/09/85/58/1005098558.db2.gz YPQOCPRIINITMR-UHFFFAOYSA-N 1 0 408.502 3.950 20 5 HHBDRO Cn1ccnc1[C@@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000513761135 1005114007 /nfs/dbraw/zinc/11/40/07/1005114007.db2.gz MHMQLGHDDABCSE-YADHBBJMSA-N 1 0 405.502 3.844 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1SC ZINC000511304152 1005116203 /nfs/dbraw/zinc/11/62/03/1005116203.db2.gz DOZQZVLWNFMCJT-KGLIPLIRSA-N 1 0 407.536 3.708 20 5 HHBDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513826114 1005147256 /nfs/dbraw/zinc/14/72/56/1005147256.db2.gz PCHFPRUCUCCEST-RZUBCFFCSA-N 1 0 423.561 3.501 20 5 HHBDRO C[NH+](C)CCCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C(c1ccccc1)c1ccccc1 ZINC000511479608 1005194252 /nfs/dbraw/zinc/19/42/52/1005194252.db2.gz REMBUNNNIMIRDU-UHFFFAOYSA-N 1 0 407.474 3.501 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN(Cc4cccc(F)c4)CC3)o2)c1 ZINC000502765418 1005207195 /nfs/dbraw/zinc/20/71/95/1005207195.db2.gz ITESHTXRSXXLPT-UHFFFAOYSA-N 1 0 410.449 3.749 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH+]2CCC(CN3CCc4ccccc43)CC2)c2c(c1)COCO2 ZINC000511535031 1005214011 /nfs/dbraw/zinc/21/40/11/1005214011.db2.gz BVGHXUSBNAIWFR-UHFFFAOYSA-N 1 0 409.486 3.736 20 5 HHBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)c2)CC1 ZINC000502866438 1005249886 /nfs/dbraw/zinc/24/98/86/1005249886.db2.gz BQLQUZAFOJEFKR-UHFFFAOYSA-N 1 0 421.501 3.788 20 5 HHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000511715132 1005289390 /nfs/dbraw/zinc/28/93/90/1005289390.db2.gz KQSRHKOMTPMTGO-OAQYLSRUSA-N 1 0 410.518 3.814 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)n2)c1 ZINC000511760713 1005311613 /nfs/dbraw/zinc/31/16/13/1005311613.db2.gz HEGWTLHPXXAIPY-HSALFYBXSA-N 1 0 406.442 3.649 20 5 HHBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000514221143 1005319760 /nfs/dbraw/zinc/31/97/60/1005319760.db2.gz AYCBSVPDTPHALH-UHFFFAOYSA-N 1 0 409.389 3.779 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000511775365 1005319921 /nfs/dbraw/zinc/31/99/21/1005319921.db2.gz HAACYMZEUUVPAO-URVUXULASA-N 1 0 409.486 3.736 20 5 HHBDRO CS(=O)(=O)[C@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000503101216 1005347704 /nfs/dbraw/zinc/34/77/04/1005347704.db2.gz HMJDISNAKHZROF-INIZCTEOSA-N 1 0 410.879 3.659 20 5 HHBDRO CCCOc1cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OCCC ZINC000504357785 1005605949 /nfs/dbraw/zinc/60/59/49/1005605949.db2.gz NQVYNPYNOIZLLK-JKSUJKDBSA-N 1 0 420.510 3.921 20 5 HHBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000531094039 1005990291 /nfs/dbraw/zinc/99/02/91/1005990291.db2.gz NDRAXJNCAYMXDT-UHFFFAOYSA-N 1 0 410.396 3.517 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1SC ZINC000534019735 1005990779 /nfs/dbraw/zinc/99/07/79/1005990779.db2.gz LMGISGMVXAUCEF-KXBFYZLASA-N 1 0 401.488 3.501 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1SC ZINC000534019729 1005991137 /nfs/dbraw/zinc/99/11/37/1005991137.db2.gz LMGISGMVXAUCEF-BEFAXECRSA-N 1 0 401.488 3.501 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1c1ccccc1 ZINC000534020899 1005992126 /nfs/dbraw/zinc/99/21/26/1005992126.db2.gz YGHRQIWZLFVPFN-HKUYNNGSSA-N 1 0 408.483 3.894 20 5 HHBDRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000531205178 1006045921 /nfs/dbraw/zinc/04/59/21/1006045921.db2.gz PVQAZIVZRMRKDV-LSDHHAIUSA-N 1 0 403.454 3.749 20 5 HHBDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000514830062 1006159445 /nfs/dbraw/zinc/15/94/45/1006159445.db2.gz MERZVNOJBDISME-UHFFFAOYSA-N 1 0 424.457 3.665 20 5 HHBDRO O=C(NC1CC1)c1ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000514898559 1006199273 /nfs/dbraw/zinc/19/92/73/1006199273.db2.gz YWPKVEHEMMCEFX-GOSISDBHSA-N 1 0 400.504 3.798 20 5 HHBDRO COc1cc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000534229753 1006228238 /nfs/dbraw/zinc/22/82/38/1006228238.db2.gz KCIQMYVLGQAAJQ-KUHUBIRLSA-N 1 0 421.856 3.819 20 5 HHBDRO CNc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000534260500 1006270378 /nfs/dbraw/zinc/27/03/78/1006270378.db2.gz FDFSQCZUGSKYGG-AUUYWEPGSA-N 1 0 420.872 3.852 20 5 HHBDRO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534359492 1006323758 /nfs/dbraw/zinc/32/37/58/1006323758.db2.gz JTXREKIRQMOTHX-PMACEKPBSA-N 1 0 422.957 3.657 20 5 HHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000515189478 1006331374 /nfs/dbraw/zinc/33/13/74/1006331374.db2.gz NADZBWQAZDSUCI-DLTWYDFYSA-N 1 0 408.930 3.912 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531811476 1006445675 /nfs/dbraw/zinc/44/56/75/1006445675.db2.gz FQTIJHILSZABCU-IIBYNOLFSA-N 1 0 411.502 3.755 20 5 HHBDRO CSCC[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000531954107 1006542813 /nfs/dbraw/zinc/54/28/13/1006542813.db2.gz HMNBMIOBZQTACB-LLVKDONJSA-N 1 0 415.309 3.821 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000531959426 1006547569 /nfs/dbraw/zinc/54/75/69/1006547569.db2.gz QQPNQMOMYITOEN-ZDUSSCGKSA-N 1 0 406.280 3.907 20 5 HHBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000534610209 1006589543 /nfs/dbraw/zinc/58/95/43/1006589543.db2.gz JMKILCPBFYTUND-UHFFFAOYSA-N 1 0 408.502 3.989 20 5 HHBDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000532120900 1006652707 /nfs/dbraw/zinc/65/27/07/1006652707.db2.gz WZLHNCNZDULBFH-APXPCNQMSA-N 1 0 415.309 3.864 20 5 HHBDRO COc1cc(OC)cc(OCC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000532173112 1006694804 /nfs/dbraw/zinc/69/48/04/1006694804.db2.gz SGPFEXUVRWNAEM-UHFFFAOYSA-N 1 0 415.471 3.904 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000532214518 1006727097 /nfs/dbraw/zinc/72/70/97/1006727097.db2.gz CWLIPCUZHKPHKV-MRXNPFEDSA-N 1 0 405.520 3.582 20 5 HHBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c2c(c1)COCO2 ZINC000532242575 1006744281 /nfs/dbraw/zinc/74/42/81/1006744281.db2.gz LMAFMOSPBRYVQQ-AUSIDOKSSA-N 1 0 423.513 3.948 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1c1ccccc1 ZINC000534753627 1006748629 /nfs/dbraw/zinc/74/86/29/1006748629.db2.gz FWSVEFBWQBISHT-IEBWSBKVSA-N 1 0 408.483 3.894 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1c1ccccc1 ZINC000534753631 1006748935 /nfs/dbraw/zinc/74/89/35/1006748935.db2.gz FWSVEFBWQBISHT-PKOBYXMFSA-N 1 0 408.483 3.894 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000538613492 1006883174 /nfs/dbraw/zinc/88/31/74/1006883174.db2.gz XFMBIQMIIZNCKH-HNNXBMFYSA-N 1 0 418.412 3.936 20 5 HHBDRO C[C@H](CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[S@](C)=O ZINC000532468280 1006907230 /nfs/dbraw/zinc/90/72/30/1006907230.db2.gz LUCXBAVDCQHMJC-JNDILOIQSA-N 1 0 415.309 3.864 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000532530912 1006965497 /nfs/dbraw/zinc/96/54/97/1006965497.db2.gz XOHLOXYLGJTNDD-UONOGXRCSA-N 1 0 423.872 3.545 20 5 HHBDRO CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000532533336 1006968237 /nfs/dbraw/zinc/96/82/37/1006968237.db2.gz MDINRSMUUDBHCB-PGRDOPGGSA-N 1 0 410.518 3.715 20 5 HHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534965329 1007016666 /nfs/dbraw/zinc/01/66/66/1007016666.db2.gz QULAWTNDNFBMSA-LJQANCHMSA-N 1 0 422.529 3.910 20 5 HHBDRO COc1ccc(NC(=O)CC[NH+]2CCC(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000532583178 1007017919 /nfs/dbraw/zinc/01/79/19/1007017919.db2.gz LDRJHFXLXONPTG-UHFFFAOYSA-N 1 0 401.438 3.951 20 5 HHBDRO CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000538736190 1007018701 /nfs/dbraw/zinc/01/87/01/1007018701.db2.gz HCRSVLQLBWHIFH-GOSISDBHSA-N 1 0 406.490 3.985 20 5 HHBDRO COc1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535083387 1007097485 /nfs/dbraw/zinc/09/74/85/1007097485.db2.gz BCWDCUYMVLKVCF-NRFANRHFSA-N 1 0 411.502 3.853 20 5 HHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000516579356 1007165197 /nfs/dbraw/zinc/16/51/97/1007165197.db2.gz QUHFROISXFEQFD-FQEVSTJZSA-N 1 0 416.909 3.927 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1C(F)(F)F ZINC000535232601 1007285759 /nfs/dbraw/zinc/28/57/59/1007285759.db2.gz GBDGOJIVCKKPND-MAUKXSAKSA-N 1 0 409.408 3.909 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000539072049 1007362878 /nfs/dbraw/zinc/36/28/78/1007362878.db2.gz BDDIUMPNLROFIY-AWEZNQCLSA-N 1 0 411.487 3.663 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539090292 1007379237 /nfs/dbraw/zinc/37/92/37/1007379237.db2.gz LTWFUCDRQRPJBG-FPTDNZKUSA-N 1 0 411.458 3.824 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(N3CC[NH+](C)CC3)n2)no1 ZINC000517057688 1007387764 /nfs/dbraw/zinc/38/77/64/1007387764.db2.gz UWVPYZJQILKHRB-KRWDZBQOSA-N 1 0 422.489 3.528 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000539121973 1007410465 /nfs/dbraw/zinc/41/04/65/1007410465.db2.gz LLQHRUVRJKPUML-FXAWDEMLSA-N 1 0 411.502 3.878 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000539121979 1007410477 /nfs/dbraw/zinc/41/04/77/1007410477.db2.gz LLQHRUVRJKPUML-YLJYHZDGSA-N 1 0 411.502 3.878 20 5 HHBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000517253291 1007517257 /nfs/dbraw/zinc/51/72/57/1007517257.db2.gz UOTSFRVXQKHJJG-HSZRJFAPSA-N 1 0 404.470 3.814 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1C ZINC000539232010 1007525663 /nfs/dbraw/zinc/52/56/63/1007525663.db2.gz AJBZOMQQKDIRQT-UHFFFAOYSA-N 1 0 403.504 3.649 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000539248551 1007541650 /nfs/dbraw/zinc/54/16/50/1007541650.db2.gz VLDLPUZBQHNVLT-LLVKDONJSA-N 1 0 408.252 3.655 20 5 HHBDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(C)C ZINC000539257615 1007551769 /nfs/dbraw/zinc/55/17/69/1007551769.db2.gz VJCRGGZFQBJUML-OAHLLOKOSA-N 1 0 401.463 3.988 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000533234067 1007555671 /nfs/dbraw/zinc/55/56/71/1007555671.db2.gz XMQOAFLSTKIKNG-INIZCTEOSA-N 1 0 417.487 3.636 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000539268866 1007564083 /nfs/dbraw/zinc/56/40/83/1007564083.db2.gz ZOXZBIMYZYWOSM-LBPRGKRZSA-N 1 0 407.854 3.945 20 5 HHBDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000539279467 1007575473 /nfs/dbraw/zinc/57/54/73/1007575473.db2.gz DMXPCOQYHCZGME-ZDUSSCGKSA-N 1 0 406.280 3.667 20 5 HHBDRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000539282194 1007578027 /nfs/dbraw/zinc/57/80/27/1007578027.db2.gz WEABRHMSCZNNIC-STQMWFEESA-N 1 0 406.280 3.885 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)c([N+](=O)[O-])c1 ZINC000539297314 1007594930 /nfs/dbraw/zinc/59/49/30/1007594930.db2.gz QQGIURULZNLFCT-UONOGXRCSA-N 1 0 417.462 3.607 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000533299987 1007617343 /nfs/dbraw/zinc/61/73/43/1007617343.db2.gz VICMJKNNEMDMCG-HOCLYGCPSA-N 1 0 401.438 3.949 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000533301918 1007618812 /nfs/dbraw/zinc/61/88/12/1007618812.db2.gz QTGNDUYKRFBGPG-GDBMZVCRSA-N 1 0 401.438 3.634 20 5 HHBDRO O=C(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000539328519 1007627971 /nfs/dbraw/zinc/62/79/71/1007627971.db2.gz UIMAFOIFGCNONF-RDTXWAMCSA-N 1 0 403.866 3.944 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000539359092 1007660003 /nfs/dbraw/zinc/66/00/03/1007660003.db2.gz MNOUCXZUFUXDSS-UHFFFAOYSA-N 1 0 405.401 3.879 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000533426347 1007735492 /nfs/dbraw/zinc/73/54/92/1007735492.db2.gz ACWCIMHNHOIFJJ-KRWDZBQOSA-N 1 0 413.449 3.966 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000517547977 1007764075 /nfs/dbraw/zinc/76/40/75/1007764075.db2.gz GIFMUWACIBSHSL-NQIIRXRSSA-N 1 0 416.909 3.920 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000539474798 1007785626 /nfs/dbraw/zinc/78/56/26/1007785626.db2.gz KIPNKRPQFLYBRA-SFHVURJKSA-N 1 0 401.463 3.527 20 5 HHBDRO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000539510948 1007820781 /nfs/dbraw/zinc/82/07/81/1007820781.db2.gz UZJXPYXRAGSCPP-UWJYYQICSA-N 1 0 405.502 3.920 20 5 HHBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000517642275 1007851775 /nfs/dbraw/zinc/85/17/75/1007851775.db2.gz OGOJJDCIXKMVHJ-UHFFFAOYSA-N 1 0 407.474 3.551 20 5 HHBDRO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000533649344 1007959943 /nfs/dbraw/zinc/95/99/43/1007959943.db2.gz MLLRLOWYSXNEDN-RTBURBONSA-N 1 0 422.957 3.657 20 5 HHBDRO CCOc1cc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1OCC ZINC000535946454 1007979155 /nfs/dbraw/zinc/97/91/55/1007979155.db2.gz NMMCNEIEZFVIHM-MRXNPFEDSA-N 1 0 420.510 3.588 20 5 HHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000539686239 1008006325 /nfs/dbraw/zinc/00/63/25/1008006325.db2.gz KKGNVJRPZFIQPW-UHFFFAOYSA-N 1 0 421.563 3.671 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536065514 1008093507 /nfs/dbraw/zinc/09/35/07/1008093507.db2.gz SOIPANHVPFHVEC-CYGODWOOSA-N 1 0 422.529 3.819 20 5 HHBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000518047012 1008126621 /nfs/dbraw/zinc/12/66/21/1008126621.db2.gz YNZLDBYIFWPDMT-IBGZPJMESA-N 1 0 408.502 3.954 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539898212 1008171196 /nfs/dbraw/zinc/17/11/96/1008171196.db2.gz NGLZCXZDJVNZQE-KGLIPLIRSA-N 1 0 418.412 3.793 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533877580 1008175301 /nfs/dbraw/zinc/17/53/01/1008175301.db2.gz YREIMVDCLGKVJT-UHFFFAOYSA-N 1 0 412.490 3.906 20 5 HHBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000533906559 1008197030 /nfs/dbraw/zinc/19/70/30/1008197030.db2.gz SZUANUDMSZBQSB-HNNXBMFYSA-N 1 0 412.515 3.709 20 5 HHBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000518258467 1008229887 /nfs/dbraw/zinc/22/98/87/1008229887.db2.gz JBUYOIPWCQAEMU-OKILXGFUSA-N 1 0 404.385 3.700 20 5 HHBDRO Cc1nc2ccccc2n1CCCCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000518272299 1008235041 /nfs/dbraw/zinc/23/50/41/1008235041.db2.gz RUKAOSJDEVBKJX-UHFFFAOYSA-N 1 0 408.506 3.640 20 5 HHBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000518356061 1008274470 /nfs/dbraw/zinc/27/44/70/1008274470.db2.gz CEZLXLMJYKOPJQ-GOSISDBHSA-N 1 0 416.566 3.828 20 5 HHBDRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000518435598 1008304880 /nfs/dbraw/zinc/30/48/80/1008304880.db2.gz GKYRAPZMWKJBJV-UHFFFAOYSA-N 1 0 424.501 3.574 20 5 HHBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000540153138 1008313734 /nfs/dbraw/zinc/31/37/34/1008313734.db2.gz HMMBFINPIOFKNC-VTJXTGGHSA-N 1 0 401.463 3.686 20 5 HHBDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000540170117 1008320797 /nfs/dbraw/zinc/32/07/97/1008320797.db2.gz YRKRTCLKFZZCFX-ZDUSSCGKSA-N 1 0 407.854 3.643 20 5 HHBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000540176445 1008323594 /nfs/dbraw/zinc/32/35/94/1008323594.db2.gz RAFFNQCOPKOJPX-LLVKDONJSA-N 1 0 418.302 3.531 20 5 HHBDRO CC[N@H+](CCC1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1)CC(C)C ZINC000540198591 1008332860 /nfs/dbraw/zinc/33/28/60/1008332860.db2.gz IARMZYHOMKDLOG-UHFFFAOYSA-N 1 0 404.555 3.922 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000540341383 1008388842 /nfs/dbraw/zinc/38/88/42/1008388842.db2.gz IGDGETMOQVTBFF-UHFFFAOYSA-N 1 0 411.458 3.672 20 5 HHBDRO Cc1ccc([C@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)N2CCOCC2)o1 ZINC000518770888 1008417046 /nfs/dbraw/zinc/41/70/46/1008417046.db2.gz FLYOKQKJKKTEAJ-FQEVSTJZSA-N 1 0 411.458 3.919 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000540408458 1008420705 /nfs/dbraw/zinc/42/07/05/1008420705.db2.gz CENPLQQDVQDDSW-MRXNPFEDSA-N 1 0 410.474 3.709 20 5 HHBDRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000518795584 1008423035 /nfs/dbraw/zinc/42/30/35/1008423035.db2.gz QSFAQHBTENQSDY-UHFFFAOYSA-N 1 0 420.473 3.804 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cnn1-c1ccc(F)cc1 ZINC000540467474 1008442762 /nfs/dbraw/zinc/44/27/62/1008442762.db2.gz KTFRPEBMMQXLJR-CQSZACIVSA-N 1 0 411.437 3.826 20 5 HHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518889736 1008460657 /nfs/dbraw/zinc/46/06/57/1008460657.db2.gz KATNKGRSWJTPCL-UHFFFAOYSA-N 1 0 408.458 3.620 20 5 HHBDRO CCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545475848 1008582508 /nfs/dbraw/zinc/58/25/08/1008582508.db2.gz QECZDAISSSZWTE-HXUWFJFHSA-N 1 0 419.485 3.517 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000543184240 1008758143 /nfs/dbraw/zinc/75/81/43/1008758143.db2.gz ZLHBHVSAGXGDGW-LSDHHAIUSA-N 1 0 402.344 3.757 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCOCC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000543394452 1008985240 /nfs/dbraw/zinc/98/52/40/1008985240.db2.gz SNHMMFBBCLSKEU-UHFFFAOYSA-N 1 0 411.502 3.992 20 5 HHBDRO CCc1ccc([C@H]([NH2+]CCCNC(=O)c2cccc(O)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543401877 1008994095 /nfs/dbraw/zinc/99/40/95/1008994095.db2.gz XBMKETDYDHQPFC-JOCHJYFZSA-N 1 0 423.469 3.955 20 5 HHBDRO CCc1ccc([C@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403777 1008996663 /nfs/dbraw/zinc/99/66/63/1008996663.db2.gz UPJFOCQLFMPYPM-DENIHFKCSA-N 1 0 401.507 3.522 20 5 HHBDRO CCc1ccc([C@@H](NC[C@H](O)C[NH+]2CCC(C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403782 1008997308 /nfs/dbraw/zinc/99/73/08/1008997308.db2.gz UPJFOCQLFMPYPM-UGKGYDQZSA-N 1 0 401.507 3.522 20 5 HHBDRO COc1cc(C[NH2+]CCc2ccc(F)c(F)c2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000543411244 1009005624 /nfs/dbraw/zinc/00/56/24/1009005624.db2.gz KBZHCXAVYYYHLH-UHFFFAOYSA-N 1 0 420.334 3.997 20 5 HHBDRO O=C(C[NH2+][C@@H](Cc1ccccc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000543471176 1009060464 /nfs/dbraw/zinc/06/04/64/1009060464.db2.gz ZVUNLPKBXRNHAS-SFHVURJKSA-N 1 0 418.291 3.907 20 5 HHBDRO COc1ccc(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000519934121 1009088906 /nfs/dbraw/zinc/08/89/06/1009088906.db2.gz PVVDFKZOFZPWAC-FQEVSTJZSA-N 1 0 412.490 3.548 20 5 HHBDRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543598501 1009203400 /nfs/dbraw/zinc/20/34/00/1009203400.db2.gz DSQFVFRAVXZTDO-GFCCVEGCSA-N 1 0 411.549 3.782 20 5 HHBDRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000520109934 1009265799 /nfs/dbraw/zinc/26/57/99/1009265799.db2.gz YHCTUWHUHHUPQF-UHFFFAOYSA-N 1 0 420.473 3.804 20 5 HHBDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000520130147 1009283164 /nfs/dbraw/zinc/28/31/64/1009283164.db2.gz BGFUSCLKGQLCHS-AWEZNQCLSA-N 1 0 406.433 3.707 20 5 HHBDRO COc1cc(-c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)ccc1OCC[NH+](C)C ZINC000546278015 1009300859 /nfs/dbraw/zinc/30/08/59/1009300859.db2.gz IGBSMWSIEFPQIS-UHFFFAOYSA-N 1 0 423.429 3.742 20 5 HHBDRO CC(C)[C@@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000520211077 1009344689 /nfs/dbraw/zinc/34/46/89/1009344689.db2.gz XIKZKCVHZCZRLW-OAQYLSRUSA-N 1 0 417.481 3.973 20 5 HHBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000549745670 1009364706 /nfs/dbraw/zinc/36/47/06/1009364706.db2.gz FRBGNWVDMFMCTN-UHFFFAOYSA-N 1 0 404.470 3.739 20 5 HHBDRO CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000549831636 1009441980 /nfs/dbraw/zinc/44/19/80/1009441980.db2.gz WWGCHVQKXMDVAQ-NQIIRXRSSA-N 1 0 424.549 3.962 20 5 HHBDRO O=c1c(Cl)c(NCCCCC[NH+]2CCCCC2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000520341164 1009475968 /nfs/dbraw/zinc/47/59/68/1009475968.db2.gz RWVIMOGHYLTKTD-UHFFFAOYSA-N 1 0 419.913 3.862 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N(C)[C@H]3C[NH+]4CCC3CC4)cc2[N+](=O)[O-])n1 ZINC000520371483 1009508105 /nfs/dbraw/zinc/50/81/05/1009508105.db2.gz TXLUYKASRIQGSV-INIZCTEOSA-N 1 0 418.544 3.677 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000544071654 1009675262 /nfs/dbraw/zinc/67/52/62/1009675262.db2.gz KGHVGAPYPWHZJF-UHFFFAOYSA-N 1 0 413.499 3.729 20 5 HHBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000520665677 1009735700 /nfs/dbraw/zinc/73/57/00/1009735700.db2.gz ZHCPYQZWKRIAKU-LBPRGKRZSA-N 1 0 402.394 3.738 20 5 HHBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544195214 1009798292 /nfs/dbraw/zinc/79/82/92/1009798292.db2.gz FORDAMAUZFLUKB-INIZCTEOSA-N 1 0 407.923 3.629 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000550291360 1009837217 /nfs/dbraw/zinc/83/72/17/1009837217.db2.gz BOVOQHCHKGHGBV-RDTXWAMCSA-N 1 0 401.438 3.584 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000550319346 1009859095 /nfs/dbraw/zinc/85/90/95/1009859095.db2.gz GOZHXUUUFNFCLH-SHTZXODSSA-N 1 0 404.850 3.836 20 5 HHBDRO CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000520981173 1010020954 /nfs/dbraw/zinc/02/09/54/1010020954.db2.gz RWEPPVYUBHZVKM-MRXNPFEDSA-N 1 0 420.535 3.562 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000550668226 1010092659 /nfs/dbraw/zinc/09/26/59/1010092659.db2.gz RWJRHXLHKRTLKN-MRXNPFEDSA-N 1 0 421.419 3.908 20 5 HHBDRO Cc1sc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc1-c1ccc(Cl)cc1 ZINC000544471618 1010094823 /nfs/dbraw/zinc/09/48/23/1010094823.db2.gz XAGFWMMNQYTBCN-MEDUHNTESA-N 1 0 421.910 3.588 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000550683825 1010099011 /nfs/dbraw/zinc/09/90/11/1010099011.db2.gz ZIFYZMWRDVDCTI-UHFFFAOYSA-N 1 0 412.328 3.858 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000550699160 1010110714 /nfs/dbraw/zinc/11/07/14/1010110714.db2.gz OUTNEJFJPXKPJA-ROUUACIJSA-N 1 0 418.291 3.841 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)cc1 ZINC000544532687 1010161423 /nfs/dbraw/zinc/16/14/23/1010161423.db2.gz LCVFZYVPBZHUNU-QVKFZJNVSA-N 1 0 415.465 3.799 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000544607780 1010234730 /nfs/dbraw/zinc/23/47/30/1010234730.db2.gz DWAIHOQTNDANHR-INIZCTEOSA-N 1 0 417.531 3.614 20 5 HHBDRO COc1cc(C[NH2+]C[C@H](C)c2ncc(C)s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000544617006 1010241806 /nfs/dbraw/zinc/24/18/06/1010241806.db2.gz JWICSZQRKYHKGK-JTQLQIEISA-N 1 0 401.435 3.906 20 5 HHBDRO COc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)ccc1OCC[NH+](C)C ZINC000544952099 1010515096 /nfs/dbraw/zinc/51/50/96/1010515096.db2.gz HIHYJIDMKOCGFW-UHFFFAOYSA-N 1 0 418.837 3.914 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000551326366 1010516853 /nfs/dbraw/zinc/51/68/53/1010516853.db2.gz ZKDRIGFQJAPRES-OAHLLOKOSA-N 1 0 421.494 3.587 20 5 HHBDRO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000548394842 1010612364 /nfs/dbraw/zinc/61/23/64/1010612364.db2.gz PWCJETWHLBUZPH-ROUUACIJSA-N 1 0 407.470 3.724 20 5 HHBDRO CC(C)(C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000545146769 1010647394 /nfs/dbraw/zinc/64/73/94/1010647394.db2.gz SZTLZSMLRWCBFI-GOSISDBHSA-N 1 0 413.493 3.692 20 5 HHBDRO CC(C)(C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000545149440 1010648730 /nfs/dbraw/zinc/64/87/30/1010648730.db2.gz YPXWOLKKQCHNPI-UHFFFAOYSA-N 1 0 415.465 3.607 20 5 HHBDRO Cc1ccc(C(C)C)c(Oc2ccc(CNC[C@]3(O)CC[N@H+](C)C3)cc2[N+](=O)[O-])c1 ZINC000545148604 1010649294 /nfs/dbraw/zinc/64/92/94/1010649294.db2.gz PHPKRNNLPNCYHO-HSZRJFAPSA-N 1 0 413.518 3.975 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000521839400 1010651168 /nfs/dbraw/zinc/65/11/68/1010651168.db2.gz XWFPNOGRYZPCDK-HNAYVOBHSA-N 1 0 413.474 3.848 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000521839398 1010651221 /nfs/dbraw/zinc/65/12/21/1010651221.db2.gz XWFPNOGRYZPCDK-BEFAXECRSA-N 1 0 413.474 3.848 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]CC(C)(C)N3CCC(OC)CC3)o2)c([N+](=O)[O-])c1 ZINC000521843047 1010652996 /nfs/dbraw/zinc/65/29/96/1010652996.db2.gz YFEDQXUGLJLSIJ-UHFFFAOYSA-N 1 0 417.506 3.842 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCOC4(CCOCC4)CC3)o2)c([N+](=O)[O-])c1 ZINC000545303494 1010722171 /nfs/dbraw/zinc/72/21/71/1010722171.db2.gz FAHYGODPKLXYHN-UHFFFAOYSA-N 1 0 402.447 3.635 20 5 HHBDRO CC(C)C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000522054579 1010783178 /nfs/dbraw/zinc/78/31/78/1010783178.db2.gz ABABZMRDPKTZDU-SJLPKXTDSA-N 1 0 405.520 3.639 20 5 HHBDRO CC(C)CCSc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000522564025 1011082448 /nfs/dbraw/zinc/08/24/48/1011082448.db2.gz SGRQDZYHXFMYMV-GOSISDBHSA-N 1 0 423.579 3.556 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000522703166 1011167199 /nfs/dbraw/zinc/16/71/99/1011167199.db2.gz ITOPEZKHXUUGDJ-SJORKVTESA-N 1 0 423.941 3.986 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000522720840 1011176397 /nfs/dbraw/zinc/17/63/97/1011176397.db2.gz MABUHBHBINETJF-UHFFFAOYSA-N 1 0 411.836 3.659 20 5 HHBDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000522746384 1011192012 /nfs/dbraw/zinc/19/20/12/1011192012.db2.gz WBCXJGRIWSAYMZ-UHFFFAOYSA-N 1 0 403.910 3.814 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H](CO)Cc3ccc(F)cc3)cs2)c1 ZINC000540570636 1011229474 /nfs/dbraw/zinc/22/94/74/1011229474.db2.gz GTYOXMHCUREDOV-HNNXBMFYSA-N 1 0 401.463 3.798 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000540625718 1011275811 /nfs/dbraw/zinc/27/58/11/1011275811.db2.gz KDILFUQWUODXII-IERDGZPVSA-N 1 0 417.531 3.933 20 5 HHBDRO O=C1C[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1Cc1ccccc1 ZINC000536163099 1011292156 /nfs/dbraw/zinc/29/21/56/1011292156.db2.gz MHHHRIOQMDHINY-KRWDZBQOSA-N 1 0 422.510 3.857 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000536229090 1011377648 /nfs/dbraw/zinc/37/76/48/1011377648.db2.gz ZJMHGPGTQQGIJN-OEWRPIJISA-N 1 0 410.518 3.593 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@@H](O)C[C@H]3c3ccc(F)c(F)c3)o2)c1 ZINC000536239993 1011393353 /nfs/dbraw/zinc/39/33/53/1011393353.db2.gz PPYXJQVXPUSCAF-LPHOPBHVSA-N 1 0 415.396 3.878 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)cc2[N+](=O)[O-])CC1 ZINC000523164836 1011648252 /nfs/dbraw/zinc/64/82/52/1011648252.db2.gz DCHDFOLGUWZWNL-HXUWFJFHSA-N 1 0 414.550 3.922 20 5 HHBDRO Cc1c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000536451085 1011669467 /nfs/dbraw/zinc/66/94/67/1011669467.db2.gz VUTDDSWMQBWISS-LEWJYISDSA-N 1 0 417.554 3.704 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000523285470 1011765822 /nfs/dbraw/zinc/76/58/22/1011765822.db2.gz OYDYENWUDZFGLQ-WSTZPKSXSA-N 1 0 414.550 3.778 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000536626125 1011781850 /nfs/dbraw/zinc/78/18/50/1011781850.db2.gz FEUFVRQQSLLFFD-VQIMIIECSA-N 1 0 418.563 3.694 20 5 HHBDRO COc1ccc(C[N@H+](C)CC2(O)CCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000536667702 1011821677 /nfs/dbraw/zinc/82/16/77/1011821677.db2.gz LLQGPQOUNSXSBF-UHFFFAOYSA-N 1 0 400.475 3.919 20 5 HHBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000536806106 1012028593 /nfs/dbraw/zinc/02/85/93/1012028593.db2.gz MMRFUFQXPNDXDV-KRWDZBQOSA-N 1 0 417.531 3.929 20 5 HHBDRO CC(C)(C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000523530622 1012059506 /nfs/dbraw/zinc/05/95/06/1012059506.db2.gz ASIBNEIYUZOCPC-MRXNPFEDSA-N 1 0 401.532 3.962 20 5 HHBDRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552097212 1012112855 /nfs/dbraw/zinc/11/28/55/1012112855.db2.gz WSIDSKBSHLSYMS-CABCVRRESA-N 1 0 423.560 3.788 20 5 HHBDRO CC[NH+]1CCC(n2nccc2NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000541432920 1012187209 /nfs/dbraw/zinc/18/72/09/1012187209.db2.gz YTSVPLRNMXBWMY-UHFFFAOYSA-N 1 0 423.926 3.832 20 5 HHBDRO Cn1ccnc1[C@@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552282350 1012295803 /nfs/dbraw/zinc/29/58/03/1012295803.db2.gz BTBXGJVBQVGCHY-GOTSBHOMSA-N 1 0 419.529 3.918 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000541553822 1012342621 /nfs/dbraw/zinc/34/26/21/1012342621.db2.gz NCEWIMGFZCKQHO-IAGOWNOFSA-N 1 0 423.469 3.691 20 5 HHBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@H]2C1 ZINC000552349468 1012359693 /nfs/dbraw/zinc/35/96/93/1012359693.db2.gz AVDRBVKMWKWINS-AZUAARDMSA-N 1 0 405.882 3.803 20 5 HHBDRO COc1ccc([C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C(C)C)cc1 ZINC000537042489 1012362731 /nfs/dbraw/zinc/36/27/31/1012362731.db2.gz QPTBOKXNPMEKJB-OAQYLSRUSA-N 1 0 401.463 3.928 20 5 HHBDRO COc1cc(F)c([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000537087800 1012442324 /nfs/dbraw/zinc/44/23/24/1012442324.db2.gz HRNRYIYRTGCNSC-CYBMUJFWSA-N 1 0 405.426 3.739 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000537108115 1012478528 /nfs/dbraw/zinc/47/85/28/1012478528.db2.gz CUJVJTQADJVUQO-CVEARBPZSA-N 1 0 410.474 3.708 20 5 HHBDRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3ccc([N+](=O)[O-])s3)cc2)C[C@H]1C ZINC000537140326 1012531316 /nfs/dbraw/zinc/53/13/16/1012531316.db2.gz ZCKSSBZYYZRBCU-IYBDPMFKSA-N 1 0 417.531 3.595 20 5 HHBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541695427 1012542842 /nfs/dbraw/zinc/54/28/42/1012542842.db2.gz WIOFCMPEUJVXNH-AZUAARDMSA-N 1 0 402.422 3.953 20 5 HHBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000523870641 1012568163 /nfs/dbraw/zinc/56/81/63/1012568163.db2.gz DHXFNIRNAWDTLR-QGZVFWFLSA-N 1 0 423.448 3.975 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000537170912 1012574673 /nfs/dbraw/zinc/57/46/73/1012574673.db2.gz DYUJZQSFSHPHJD-SFHVURJKSA-N 1 0 421.563 3.812 20 5 HHBDRO C[C@@H]1[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCC12CCOCC2 ZINC000541728089 1012579227 /nfs/dbraw/zinc/57/92/27/1012579227.db2.gz QNLXOBZQIUXCHJ-AWEZNQCLSA-N 1 0 416.503 3.548 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000537175540 1012582388 /nfs/dbraw/zinc/58/23/88/1012582388.db2.gz ORJFYHLVKRXIKK-MRXNPFEDSA-N 1 0 410.474 3.709 20 5 HHBDRO CCc1ccc([C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000523885442 1012587315 /nfs/dbraw/zinc/58/73/15/1012587315.db2.gz URYCEPHZNOVXKG-IBGZPJMESA-N 1 0 419.909 3.999 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000541762811 1012626455 /nfs/dbraw/zinc/62/64/55/1012626455.db2.gz KFOGZZIRFDEOLI-UHFFFAOYSA-N 1 0 422.812 3.831 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000541763844 1012627374 /nfs/dbraw/zinc/62/73/74/1012627374.db2.gz XTYNSSJUAFBFIJ-QGZVFWFLSA-N 1 0 403.866 3.557 20 5 HHBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000552680555 1012688656 /nfs/dbraw/zinc/68/86/56/1012688656.db2.gz XHVTWAHEEIJCKG-IEBWSBKVSA-N 1 0 400.523 3.530 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000537265186 1012717143 /nfs/dbraw/zinc/71/71/43/1012717143.db2.gz YLUMSDQEEMNAGY-VEBBDIFPSA-N 1 0 401.894 3.925 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000537273101 1012727682 /nfs/dbraw/zinc/72/76/82/1012727682.db2.gz KQDPPOZKVVOMPL-UHFFFAOYSA-N 1 0 415.515 3.860 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000537304215 1012761617 /nfs/dbraw/zinc/76/16/17/1012761617.db2.gz WKUXPEKACCVLAD-ANIGNSTFSA-N 1 0 401.894 3.925 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000542055379 1012969156 /nfs/dbraw/zinc/96/91/56/1012969156.db2.gz DLQGLSFPVGERBS-UHFFFAOYSA-N 1 0 417.959 3.771 20 5 HHBDRO CSc1ccc(C(=O)c2ccccc2C(=O)OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000912593020 1072251348 /nfs/dbraw/zinc/25/13/48/1072251348.db2.gz UCBDCNHSSOAYOK-UHFFFAOYSA-N 1 0 402.472 3.656 20 5 HHBDRO CCN1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000571227943 1072587944 /nfs/dbraw/zinc/58/79/44/1072587944.db2.gz JLVBGZMGEKIFLW-UZLBHIALSA-N 1 0 419.407 3.814 20 5 HHBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000538800436 1072674684 /nfs/dbraw/zinc/67/46/84/1072674684.db2.gz KICARMHUHKWWGD-UHFFFAOYSA-N 1 0 405.458 3.671 20 5 HHBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCC[C@H]2CCCCO2)c1 ZINC000566332598 1072678731 /nfs/dbraw/zinc/67/87/31/1072678731.db2.gz RJORILDDDHQXER-OAHLLOKOSA-N 1 0 404.248 3.638 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000571811678 1072861994 /nfs/dbraw/zinc/86/19/94/1072861994.db2.gz YUFYJKKXCDZGMZ-YHJVDBJQSA-N 1 0 418.444 3.543 20 5 HHBDRO CC[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000555053132 1073117700 /nfs/dbraw/zinc/11/77/00/1073117700.db2.gz OFHYKYJQDQSEPZ-JOCHJYFZSA-N 1 0 411.502 3.875 20 5 HHBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000589952683 1073396621 /nfs/dbraw/zinc/39/66/21/1073396621.db2.gz MHMSEFHBQRKSIE-IBGZPJMESA-N 1 0 403.526 3.632 20 5 HHBDRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3ccc(C(F)F)cc3[N+](=O)[O-])c2)C1 ZINC000589111957 1073438787 /nfs/dbraw/zinc/43/87/87/1073438787.db2.gz SGTRYHVAVJQPJJ-KRWDZBQOSA-N 1 0 418.444 3.842 20 5 HHBDRO NC(=O)C1(c2ccccc2)CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000590161731 1073602636 /nfs/dbraw/zinc/60/26/36/1073602636.db2.gz PSQTWUYKGAZNJX-UHFFFAOYSA-N 1 0 407.392 3.633 20 5 HHBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)[C@H]2C1 ZINC000590442066 1073836112 /nfs/dbraw/zinc/83/61/12/1073836112.db2.gz GCQVZAZNXFEEHS-KDOFPFPSSA-N 1 0 401.850 3.817 20 5 HHBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000590536847 1073914036 /nfs/dbraw/zinc/91/40/36/1073914036.db2.gz BFWBJQHMYPEWAI-ZIFCJYIRSA-N 1 0 402.539 3.633 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)[C@@H]1c1ccccc1 ZINC000760852633 1074452265 /nfs/dbraw/zinc/45/22/65/1074452265.db2.gz JRZXDEBWEBQVSQ-YOEHRIQHSA-N 1 0 404.264 3.533 20 5 HHBDRO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000760886683 1074514306 /nfs/dbraw/zinc/51/43/06/1074514306.db2.gz OVXRGOQKTOWBEV-CABCVRRESA-N 1 0 416.478 3.985 20 5 HHBDRO C[C@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000574324223 1075221024 /nfs/dbraw/zinc/22/10/24/1075221024.db2.gz IEQRHLMXTFMQHR-HNNXBMFYSA-N 1 0 408.458 3.815 20 5 HHBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1Cl ZINC001164624526 719045333 /nfs/dbraw/zinc/04/53/33/719045333.db2.gz OEKHYUOOFIGUHU-KBXCAEBGSA-N 1 0 408.836 3.772 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl ZINC001164834712 720527088 /nfs/dbraw/zinc/52/70/88/720527088.db2.gz HFZOWWBOLDJBSO-IXDOHACOSA-N 1 0 418.929 3.526 20 5 HHBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836260 720535070 /nfs/dbraw/zinc/53/50/70/720535070.db2.gz JITMVYJFMZBBKG-LVCYWYKZSA-N 1 0 420.517 3.717 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC001164843228 720662389 /nfs/dbraw/zinc/66/23/89/720662389.db2.gz VPULJNXSSDWGOZ-GOSISDBHSA-N 1 0 416.909 3.903 20 5 HHBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc(Cl)c1[N+](=O)[O-])CC2 ZINC001164793166 721490780 /nfs/dbraw/zinc/49/07/80/721490780.db2.gz OLKLYXDYAYYDJJ-UHFFFAOYSA-N 1 0 401.898 3.919 20 5 HHBDRO Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164901280 721521802 /nfs/dbraw/zinc/52/18/02/721521802.db2.gz WIQOFAWFOICVAO-AZUAARDMSA-N 1 0 422.460 3.932 20 5 HHBDRO Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164901287 721521849 /nfs/dbraw/zinc/52/18/49/721521849.db2.gz WIQOFAWFOICVAO-UYAOXDASSA-N 1 0 422.460 3.932 20 5 HHBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)CC3)C2)cc1 ZINC001164940168 721927752 /nfs/dbraw/zinc/92/77/52/721927752.db2.gz QZOPUEBRMJDXGR-UHFFFAOYSA-N 1 0 421.501 3.651 20 5 HHBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3ccc(Cl)cc3[N+](=O)[O-])c2)C1 ZINC000301197877 970802171 /nfs/dbraw/zinc/80/21/71/970802171.db2.gz OUYBNSKWTGHPHW-MRXNPFEDSA-N 1 0 402.882 3.558 20 5 HHBDRO CS(=O)(=O)c1ccc(NCc2ccccc2C[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000301276287 970845670 /nfs/dbraw/zinc/84/56/70/970845670.db2.gz ZHJOIBBIRYYEEB-UHFFFAOYSA-N 1 0 417.531 3.986 20 5 HHBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000301371574 970891818 /nfs/dbraw/zinc/89/18/18/970891818.db2.gz SUNKIFPHAGPXPT-GOSISDBHSA-N 1 0 400.435 3.784 20 5 HHBDRO O=[N+]([O-])c1cc(Br)ccc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000301476560 970948145 /nfs/dbraw/zinc/94/81/45/970948145.db2.gz SWTKXJXQKHKBFH-UHFFFAOYSA-N 1 0 420.307 3.926 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1 ZINC000301677876 971024766 /nfs/dbraw/zinc/02/47/66/971024766.db2.gz IFOXJTSETFEEQO-HNNXBMFYSA-N 1 0 410.474 3.912 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000301884973 971098926 /nfs/dbraw/zinc/09/89/26/971098926.db2.gz ZGWBESGJXOSPAN-KDURUIRLSA-N 1 0 409.534 3.652 20 5 HHBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000301884974 971098945 /nfs/dbraw/zinc/09/89/45/971098945.db2.gz ZGWBESGJXOSPAN-OALUTQOASA-N 1 0 409.534 3.652 20 5 HHBDRO CCN1CC[C@@H](Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000302003544 971149745 /nfs/dbraw/zinc/14/97/45/971149745.db2.gz YGTWCGIBDRCWRW-IEBWSBKVSA-N 1 0 420.872 3.994 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302071120 971168617 /nfs/dbraw/zinc/16/86/17/971168617.db2.gz YLNPYFOPRLXPKE-WBVHZDCISA-N 1 0 411.506 3.624 20 5 HHBDRO Cc1cc(N2CCN(c3ncnc4sccc43)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302154154 971189373 /nfs/dbraw/zinc/18/93/73/971189373.db2.gz IJJRFOGDKNCYMZ-UHFFFAOYSA-N 1 0 406.471 3.783 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000302173029 971195308 /nfs/dbraw/zinc/19/53/08/971195308.db2.gz MYOZGWSQPOZCSC-DYESRHJHSA-N 1 0 408.502 3.763 20 5 HHBDRO Cc1cc(N2CCC(C(=O)NCc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302187804 971202103 /nfs/dbraw/zinc/20/21/03/971202103.db2.gz QCWFVQLSQLLERO-UHFFFAOYSA-N 1 0 404.470 3.984 20 5 HHBDRO CCc1cc(NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccccc2[nH+]1 ZINC000302475165 971241800 /nfs/dbraw/zinc/24/18/00/971241800.db2.gz VBGNFHDGKAACLG-UHFFFAOYSA-N 1 0 414.487 3.633 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000302811304 971330850 /nfs/dbraw/zinc/33/08/50/971330850.db2.gz HDODMXGAFDNEBI-KRWDZBQOSA-N 1 0 416.909 3.866 20 5 HHBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000303175977 971543638 /nfs/dbraw/zinc/54/36/38/971543638.db2.gz CDVPNLVFXVHKJQ-HDICACEKSA-N 1 0 404.555 3.737 20 5 HHBDRO Cc1c(NC(=O)CC[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000303237874 971574505 /nfs/dbraw/zinc/57/45/05/971574505.db2.gz ZGLZLWPZEZRUQJ-UHFFFAOYSA-N 1 0 416.453 3.720 20 5 HHBDRO COC(=O)c1cc(C)nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000553139392 1013098198 /nfs/dbraw/zinc/09/81/98/1013098198.db2.gz MJJMIXOMCDJWSA-ICSRJNTNSA-N 1 0 424.501 3.576 20 5 HHBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000303412701 971689992 /nfs/dbraw/zinc/68/99/92/971689992.db2.gz ANGBXUVFSGOCJE-QGZVFWFLSA-N 1 0 402.539 3.825 20 5 HHBDRO CC1CC[NH+](C[C@H]2CCCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000303691983 971966980 /nfs/dbraw/zinc/96/69/80/971966980.db2.gz MHHBTGDZRHUZNQ-MRXNPFEDSA-N 1 0 408.930 3.631 20 5 HHBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000524328268 1013149392 /nfs/dbraw/zinc/14/93/92/1013149392.db2.gz BLZZUWADLJYDON-QGZVFWFLSA-N 1 0 411.506 3.719 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000303863758 972406112 /nfs/dbraw/zinc/40/61/12/972406112.db2.gz MIBYNNZELFWWSZ-RYRKJORJSA-N 1 0 411.506 3.718 20 5 HHBDRO C[NH+]1CCC(Oc2ccc(CNc3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])cc2)CC1 ZINC000553253863 1013221535 /nfs/dbraw/zinc/22/15/35/1013221535.db2.gz FRFQKWAVJPTFRM-UHFFFAOYSA-N 1 0 424.501 3.572 20 5 HHBDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000537679933 1013239873 /nfs/dbraw/zinc/23/98/73/1013239873.db2.gz XCGNZRBEAKECNT-LJQANCHMSA-N 1 0 406.870 3.727 20 5 HHBDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000537681707 1013242043 /nfs/dbraw/zinc/24/20/43/1013242043.db2.gz UFRLUHZNJVHOOK-IBGZPJMESA-N 1 0 406.870 3.727 20 5 HHBDRO Cc1ccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(OCC[NH+](C)C)c1 ZINC000537731482 1013291963 /nfs/dbraw/zinc/29/19/63/1013291963.db2.gz ZIJXMXIZFSURCI-UHFFFAOYSA-N 1 0 409.490 3.856 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000542336626 1013295095 /nfs/dbraw/zinc/29/50/95/1013295095.db2.gz XZRPGSYMMKFIIK-MRXNPFEDSA-N 1 0 407.923 3.629 20 5 HHBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c2nonc21 ZINC000011380585 962072621 /nfs/dbraw/zinc/07/26/21/962072621.db2.gz YFKISHKWSCYBSV-UHFFFAOYSA-N 1 0 421.379 3.862 20 5 HHBDRO CCc1ccc([C@@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[NH+](C)C)cc1 ZINC000011604016 962142123 /nfs/dbraw/zinc/14/21/23/962142123.db2.gz LWHGWJDUADFJNS-HSZRJFAPSA-N 1 0 424.545 3.793 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@H+](C)Cc2ccco2)n1 ZINC000553415264 1013339503 /nfs/dbraw/zinc/33/95/03/1013339503.db2.gz CHOUZYWDFYNGPH-UHFFFAOYSA-N 1 0 410.430 3.614 20 5 HHBDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000014739160 962565174 /nfs/dbraw/zinc/56/51/74/962565174.db2.gz AHMDZMFNDBTCDO-UHFFFAOYSA-N 1 0 418.881 3.572 20 5 HHBDRO CC[NH+](CC)CCN(Cc1cccs1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000553445719 1013359667 /nfs/dbraw/zinc/35/96/67/1013359667.db2.gz ZPQKVRKTLWHEIA-UHFFFAOYSA-N 1 0 401.492 3.654 20 5 HHBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000015365702 962738840 /nfs/dbraw/zinc/73/88/40/962738840.db2.gz UVYAIZXKDUKODW-AZUAARDMSA-N 1 0 415.515 3.517 20 5 HHBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016091947 962940247 /nfs/dbraw/zinc/94/02/47/962940247.db2.gz BGGFSSDWWLTVLN-YJBOKZPZSA-N 1 0 421.906 3.553 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000016402094 963034240 /nfs/dbraw/zinc/03/42/40/963034240.db2.gz QLMYJVLLTBCDGX-UHFFFAOYSA-N 1 0 411.458 3.685 20 5 HHBDRO CCC[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000553518954 1013417804 /nfs/dbraw/zinc/41/78/04/1013417804.db2.gz QDJPHHIBLSRBMJ-SFHVURJKSA-N 1 0 407.474 3.735 20 5 HHBDRO CCC[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000553518953 1013417839 /nfs/dbraw/zinc/41/78/39/1013417839.db2.gz QDJPHHIBLSRBMJ-GOSISDBHSA-N 1 0 407.474 3.735 20 5 HHBDRO CCc1ccc([C@@H]([NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542475234 1013423364 /nfs/dbraw/zinc/42/33/64/1013423364.db2.gz SOLAOLQGEQJDCE-VGSWGCGISA-N 1 0 409.490 3.832 20 5 HHBDRO O=C(CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000022873534 963730973 /nfs/dbraw/zinc/73/09/73/963730973.db2.gz SEUQZJLORDIBFG-UHFFFAOYSA-N 1 0 420.872 3.534 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025056752 964156916 /nfs/dbraw/zinc/15/69/16/964156916.db2.gz JEORJTZEOJGVDJ-UHFFFAOYSA-N 1 0 411.458 3.527 20 5 HHBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000542531735 1013475401 /nfs/dbraw/zinc/47/54/01/1013475401.db2.gz GCWHIKHKSIBXDP-LLVKDONJSA-N 1 0 413.400 3.568 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000553580498 1013479015 /nfs/dbraw/zinc/47/90/15/1013479015.db2.gz DOIKXBRYHNWXEF-MRXNPFEDSA-N 1 0 410.879 3.707 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000025330354 964243186 /nfs/dbraw/zinc/24/31/86/964243186.db2.gz DHBMOUCDJAATRE-MGPUTAFESA-N 1 0 416.547 3.925 20 5 HHBDRO CC(C)(CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025898182 964386469 /nfs/dbraw/zinc/38/64/69/964386469.db2.gz IXEYSOGRHDMVPG-UHFFFAOYSA-N 1 0 410.518 3.740 20 5 HHBDRO COc1cc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(F)F ZINC000026225310 964492387 /nfs/dbraw/zinc/49/23/87/964492387.db2.gz WEFSDBPGHAECNO-UHFFFAOYSA-N 1 0 423.416 3.974 20 5 HHBDRO COc1cc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OC(F)F ZINC000026225315 964492716 /nfs/dbraw/zinc/49/27/16/964492716.db2.gz OLCAUVOQWPLHJU-UHFFFAOYSA-N 1 0 423.416 3.974 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000553616543 1013500263 /nfs/dbraw/zinc/50/02/63/1013500263.db2.gz GERJXIKCAMBXGL-GHTZIAJQSA-N 1 0 410.518 3.689 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCOc1ccccc1Cl ZINC000026337021 964529305 /nfs/dbraw/zinc/52/93/05/964529305.db2.gz YWWWMOLPSDHZDI-UHFFFAOYSA-N 1 0 407.854 3.596 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)Cc1ccccc1[N+](=O)[O-] ZINC000026349473 964533064 /nfs/dbraw/zinc/53/30/64/964533064.db2.gz YCTAOYNBPXLRQT-UHFFFAOYSA-N 1 0 410.243 3.957 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000026857367 964698996 /nfs/dbraw/zinc/69/89/96/964698996.db2.gz BTYVCPSNKFSRMI-UHFFFAOYSA-N 1 0 400.504 3.711 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000052183393 964834418 /nfs/dbraw/zinc/83/44/18/964834418.db2.gz CJHZTKOJGUYWJM-MRXNPFEDSA-N 1 0 417.531 3.985 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000027317343 964848811 /nfs/dbraw/zinc/84/88/11/964848811.db2.gz XSFUNSLKJKNCRN-IBGZPJMESA-N 1 0 416.547 3.925 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2CNc2nc3sccn3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000052314596 964865345 /nfs/dbraw/zinc/86/53/45/964865345.db2.gz PXNWUUPHTKSFNH-KBPBESRZSA-N 1 0 401.492 3.525 20 5 HHBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000027388116 964871503 /nfs/dbraw/zinc/87/15/03/964871503.db2.gz KOPZJRFXVMDQMI-UHFFFAOYSA-N 1 0 410.518 3.830 20 5 HHBDRO COc1cc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000553668776 1013534335 /nfs/dbraw/zinc/53/43/35/1013534335.db2.gz YCOBXTJSYKLJLF-HXUWFJFHSA-N 1 0 415.490 3.732 20 5 HHBDRO C[N@H+](CCCc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000052802517 964988790 /nfs/dbraw/zinc/98/87/90/964988790.db2.gz PYZATKQDLKDYTJ-UHFFFAOYSA-N 1 0 406.280 3.860 20 5 HHBDRO C[C@@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000542607447 1013542786 /nfs/dbraw/zinc/54/27/86/1013542786.db2.gz MRASZOSCVCJAKM-CQSZACIVSA-N 1 0 400.454 3.982 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)cc1[N+](=O)[O-] ZINC000537969461 1013546761 /nfs/dbraw/zinc/54/67/61/1013546761.db2.gz AFJRBCSSUFPZJW-IAGOWNOFSA-N 1 0 423.469 3.691 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000028483650 965114425 /nfs/dbraw/zinc/11/44/25/965114425.db2.gz PLIFFDINOSZLIU-GOSISDBHSA-N 1 0 402.520 3.802 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1COc2ccccc21 ZINC000542620309 1013556046 /nfs/dbraw/zinc/55/60/46/1013556046.db2.gz ROXPGCRRTAJKOM-DYVFJYSZSA-N 1 0 424.482 3.811 20 5 HHBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000029177329 965298652 /nfs/dbraw/zinc/29/86/52/965298652.db2.gz CEIOVUKRYPQJPI-FQEVSTJZSA-N 1 0 408.502 3.762 20 5 HHBDRO O=C1COc2ccccc2N1CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000537987190 1013561177 /nfs/dbraw/zinc/56/11/77/1013561177.db2.gz NTMQOCBCRGOHOG-MJGOQNOKSA-N 1 0 409.486 3.711 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000054226456 965435380 /nfs/dbraw/zinc/43/53/80/965435380.db2.gz OMUCEIXHPBMBON-XLIONFOSSA-N 1 0 408.502 3.760 20 5 HHBDRO C[C@@H](c1ccccc1Cl)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000029690687 965459989 /nfs/dbraw/zinc/45/99/89/965459989.db2.gz BUGUSGDUHUBZEG-INIZCTEOSA-N 1 0 416.909 3.956 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)COc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000057586848 965501792 /nfs/dbraw/zinc/50/17/92/965501792.db2.gz OAONIFXVLUXHJY-QZTJIDSGSA-N 1 0 411.502 3.768 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029828871 965515350 /nfs/dbraw/zinc/51/53/50/965515350.db2.gz QNILOWCVZUMTMR-OAHLLOKOSA-N 1 0 424.457 3.953 20 5 HHBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000058260192 965667262 /nfs/dbraw/zinc/66/72/62/965667262.db2.gz PWZFGPVRXCJBTF-UHFFFAOYSA-N 1 0 410.474 3.727 20 5 HHBDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000538018639 1013590497 /nfs/dbraw/zinc/59/04/97/1013590497.db2.gz RYZAMBVLCVIZIW-LSDHHAIUSA-N 1 0 401.463 3.988 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000058353340 965704741 /nfs/dbraw/zinc/70/47/41/965704741.db2.gz XGJJEVRTZPXYMR-GJZGRUSLSA-N 1 0 414.481 3.724 20 5 HHBDRO COc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000542683217 1013604116 /nfs/dbraw/zinc/60/41/16/1013604116.db2.gz JKNTZBDGDUBILW-HNNXBMFYSA-N 1 0 414.483 3.881 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058888624 965941779 /nfs/dbraw/zinc/94/17/79/965941779.db2.gz LZVHIVJTGGXQTM-UHFFFAOYSA-N 1 0 410.474 3.727 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000058966000 965975460 /nfs/dbraw/zinc/97/54/60/965975460.db2.gz AHLXPNPMERSCNB-UHFFFAOYSA-N 1 0 411.502 3.761 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000059286950 966009608 /nfs/dbraw/zinc/00/96/08/966009608.db2.gz JHHAZECTILBKIV-QZTJIDSGSA-N 1 0 411.502 3.768 20 5 HHBDRO O=C(c1cc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000059734106 966026180 /nfs/dbraw/zinc/02/61/80/966026180.db2.gz AUDAJGVWPBBTSJ-FQEVSTJZSA-N 1 0 408.502 3.907 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000055752137 966048327 /nfs/dbraw/zinc/04/83/27/966048327.db2.gz ZCZXXLXVSSRZCM-IBGZPJMESA-N 1 0 413.474 3.569 20 5 HHBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000031566250 966054149 /nfs/dbraw/zinc/05/41/49/966054149.db2.gz MQJZXYHHDTYMQH-NRFANRHFSA-N 1 0 422.529 3.592 20 5 HHBDRO COc1cccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)c1 ZINC000542710262 1013623034 /nfs/dbraw/zinc/62/30/34/1013623034.db2.gz GIJWGSBAGPNNKT-IBGZPJMESA-N 1 0 402.426 3.701 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000032067396 966188078 /nfs/dbraw/zinc/18/80/78/966188078.db2.gz HHAHOEUGMJMCOS-UHFFFAOYSA-N 1 0 410.518 3.544 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000056064634 966200092 /nfs/dbraw/zinc/20/00/92/966200092.db2.gz ZBFHKAZEXFFPAG-QGZVFWFLSA-N 1 0 417.531 3.589 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1OC ZINC000032762111 966324851 /nfs/dbraw/zinc/32/48/51/966324851.db2.gz ZWXPOOZKIREIIM-MRXNPFEDSA-N 1 0 419.503 3.631 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2[N+](=O)[O-])n1 ZINC000061547824 966495187 /nfs/dbraw/zinc/49/51/87/966495187.db2.gz DZNAJAIAEPQJRL-UHFFFAOYSA-N 1 0 406.533 3.727 20 5 HHBDRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000061572081 966505571 /nfs/dbraw/zinc/50/55/71/966505571.db2.gz ATXBVIFVCOVUFB-UHFFFAOYSA-N 1 0 410.499 3.920 20 5 HHBDRO CCCc1n[nH]c(C(=O)NC[C@H](c2ccccc2Cl)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000553856361 1013658750 /nfs/dbraw/zinc/65/87/50/1013658750.db2.gz KYSRXQYJIBKRNO-MRXNPFEDSA-N 1 0 407.902 3.737 20 5 HHBDRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000062228421 966627354 /nfs/dbraw/zinc/62/73/54/966627354.db2.gz LCPOBKBHBGUGLW-HXUWFJFHSA-N 1 0 419.485 3.565 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[NH+]2CCCC2)c1 ZINC000041816293 966642117 /nfs/dbraw/zinc/64/21/17/966642117.db2.gz VIQAVAKQMWWXRD-OAQYLSRUSA-N 1 0 408.458 3.652 20 5 HHBDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000063774579 966953726 /nfs/dbraw/zinc/95/37/26/966953726.db2.gz QIXFWJYOXBNUDM-CQSZACIVSA-N 1 0 401.463 3.506 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000063840231 966974142 /nfs/dbraw/zinc/97/41/42/966974142.db2.gz YSJRLMWGYMOZCB-FQEVSTJZSA-N 1 0 411.502 3.701 20 5 HHBDRO C[NH+](C)C[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000542840353 1013702166 /nfs/dbraw/zinc/70/21/66/1013702166.db2.gz MCHOKIAYPXISRU-GOSISDBHSA-N 1 0 405.502 3.831 20 5 HHBDRO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000064481376 967207948 /nfs/dbraw/zinc/20/79/48/967207948.db2.gz CBLLXQXYRMGQKZ-UHFFFAOYSA-N 1 0 417.893 3.865 20 5 HHBDRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)c(C(F)(F)F)c2)CC1 ZINC000044796877 967292332 /nfs/dbraw/zinc/29/23/32/967292332.db2.gz DZSGPUIFWCFOHF-UHFFFAOYSA-N 1 0 408.380 3.618 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)c([N+](=O)[O-])c1 ZINC000542881049 1013729545 /nfs/dbraw/zinc/72/95/45/1013729545.db2.gz LARBUHSDEXKXOX-OAHLLOKOSA-N 1 0 423.473 3.777 20 5 HHBDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 ZINC000542881594 1013730329 /nfs/dbraw/zinc/73/03/29/1013730329.db2.gz SBZBAHUCQAOBPD-HNNXBMFYSA-N 1 0 421.457 3.738 20 5 HHBDRO O=C(CC[NH+]1CCN(Cc2c(F)cccc2Cl)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000045799611 967555454 /nfs/dbraw/zinc/55/54/54/967555454.db2.gz HJYQFIATQHVPBF-UHFFFAOYSA-N 1 0 420.872 3.534 20 5 HHBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000046756755 967954092 /nfs/dbraw/zinc/95/40/92/967954092.db2.gz HGQAAZZWEGLJBW-UHFFFAOYSA-N 1 0 410.518 3.965 20 5 HHBDRO Cc1c(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000047345898 968146974 /nfs/dbraw/zinc/14/69/74/968146974.db2.gz VMFSLVCVFWMXPD-UHFFFAOYSA-N 1 0 411.506 3.627 20 5 HHBDRO C[C@H](OC[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(Cl)cc1 ZINC000047745358 968295124 /nfs/dbraw/zinc/29/51/24/968295124.db2.gz WUACVKXGHPHWRR-KKSFZXQISA-N 1 0 419.909 3.509 20 5 HHBDRO O=C(CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1ccc(Cl)cc1F ZINC000047745749 968296032 /nfs/dbraw/zinc/29/60/32/968296032.db2.gz APXXBTFJZLFFMC-UHFFFAOYSA-N 1 0 406.845 3.538 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(F)c1 ZINC000047864666 968346122 /nfs/dbraw/zinc/34/61/22/968346122.db2.gz HAHOVDBVWOEUIL-HNNXBMFYSA-N 1 0 412.368 3.760 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(F)c1 ZINC000047864670 968346186 /nfs/dbraw/zinc/34/61/86/968346186.db2.gz HAHOVDBVWOEUIL-OAHLLOKOSA-N 1 0 412.368 3.760 20 5 HHBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000048198390 968480387 /nfs/dbraw/zinc/48/03/87/968480387.db2.gz KBYUMJXNASQWLJ-UHFFFAOYSA-N 1 0 411.380 3.528 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000538271626 1013811197 /nfs/dbraw/zinc/81/11/97/1013811197.db2.gz JEMNEXWSLGANJK-HOTGVXAUSA-N 1 0 409.552 3.715 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@@H](CC(C)C)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000538277974 1013817031 /nfs/dbraw/zinc/81/70/31/1013817031.db2.gz WOLISYHZVQSRGP-SFHVURJKSA-N 1 0 401.463 3.928 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC ZINC000538280988 1013818752 /nfs/dbraw/zinc/81/87/52/1013818752.db2.gz ZMSQRFVFENBEGV-HNNXBMFYSA-N 1 0 401.463 3.990 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000065936160 968723696 /nfs/dbraw/zinc/72/36/96/968723696.db2.gz RCPHADOPGYXEHD-UHFFFAOYSA-N 1 0 406.280 3.561 20 5 HHBDRO CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000065937268 968725979 /nfs/dbraw/zinc/72/59/79/968725979.db2.gz VGWTXNSBRQWGMP-UHFFFAOYSA-N 1 0 405.882 3.851 20 5 HHBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000072034694 968946877 /nfs/dbraw/zinc/94/68/77/968946877.db2.gz ONZZSTJMSSXFTB-UHFFFAOYSA-N 1 0 402.539 3.779 20 5 HHBDRO Cc1n[nH]c(C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000072060278 968966109 /nfs/dbraw/zinc/96/61/09/968966109.db2.gz WHCFDISCDHCVNO-UHFFFAOYSA-N 1 0 414.293 3.527 20 5 HHBDRO CC[NH+](CC)[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccco1 ZINC000078878156 969021101 /nfs/dbraw/zinc/02/11/01/969021101.db2.gz LBKHZZIUZXFYIQ-GOSISDBHSA-N 1 0 411.462 3.647 20 5 HHBDRO Cc1c(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000106149040 969295295 /nfs/dbraw/zinc/29/52/95/969295295.db2.gz DMRCYELBVWPFFR-UHFFFAOYSA-N 1 0 420.473 3.722 20 5 HHBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000106214856 969301507 /nfs/dbraw/zinc/30/15/07/969301507.db2.gz WJOTWLUUPTYSMW-UHFFFAOYSA-N 1 0 423.473 3.753 20 5 HHBDRO CC[NH+](CC)Cc1cccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000107829546 969337808 /nfs/dbraw/zinc/33/78/08/969337808.db2.gz FGPSAUKTNFUJQQ-UHFFFAOYSA-N 1 0 424.545 3.969 20 5 HHBDRO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000107915108 969344802 /nfs/dbraw/zinc/34/48/02/969344802.db2.gz OCCYYWATZJQDHC-UHFFFAOYSA-N 1 0 422.407 3.547 20 5 HHBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000108395886 969379618 /nfs/dbraw/zinc/37/96/18/969379618.db2.gz ARIZDIOZSOPWSA-UHFFFAOYSA-N 1 0 417.428 3.730 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000109103234 969462121 /nfs/dbraw/zinc/46/21/21/969462121.db2.gz DECAOHFDJJZZOK-UHFFFAOYSA-N 1 0 402.539 3.820 20 5 HHBDRO O=C(CN1CCC[N@H+](CC2CCCCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000109103047 969462152 /nfs/dbraw/zinc/46/21/52/969462152.db2.gz AIJWAQPMFNBTRM-UHFFFAOYSA-N 1 0 408.930 3.775 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000109298981 969493334 /nfs/dbraw/zinc/49/33/34/969493334.db2.gz ACBREPRMHPDOML-LJQANCHMSA-N 1 0 400.479 3.601 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NC[C@@H](C)[N@H+](C)C3CC3)cc2[N+](=O)[O-])n1 ZINC000110655569 969701829 /nfs/dbraw/zinc/70/18/29/969701829.db2.gz VVKWYRRRCQXGKZ-GFCCVEGCSA-N 1 0 406.533 3.723 20 5 HHBDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000111048542 969766714 /nfs/dbraw/zinc/76/67/14/969766714.db2.gz ZUCSIOSKCOMRNV-CYBMUJFWSA-N 1 0 411.911 3.656 20 5 HHBDRO Cc1c(NC(=O)CC[N@H+](C[C@H](O)c2ccc(F)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000112656781 969821709 /nfs/dbraw/zinc/82/17/09/969821709.db2.gz UWHMFWORFQYPGD-FQEVSTJZSA-N 1 0 401.438 3.569 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCc4n[nH]cc4C3)o2)c(Br)c1 ZINC000236569550 970141891 /nfs/dbraw/zinc/14/18/91/970141891.db2.gz GSAAAVIBSYEISL-GFCCVEGCSA-N 1 0 417.263 3.988 20 5 HHBDRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000236830307 970177379 /nfs/dbraw/zinc/17/73/79/970177379.db2.gz BEAOVQZPZXBHJF-UHFFFAOYSA-N 1 0 421.501 3.767 20 5 HHBDRO CN(C)C(=O)c1cccc(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000237075623 970218319 /nfs/dbraw/zinc/21/83/19/970218319.db2.gz PUGDSRGFWTYYPT-UHFFFAOYSA-N 1 0 410.499 3.752 20 5 HHBDRO COc1cc(C[NH2+]CCc2sc(C)nc2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237206550 970241618 /nfs/dbraw/zinc/24/16/18/970241618.db2.gz DLBMESVTBJGDOB-UHFFFAOYSA-N 1 0 419.425 3.950 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237247022 970248845 /nfs/dbraw/zinc/24/88/45/970248845.db2.gz QTMKGDSMTODILA-XLIONFOSSA-N 1 0 400.475 3.823 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000237298187 970257521 /nfs/dbraw/zinc/25/75/21/970257521.db2.gz JYLPUQORSVZHRZ-QFBILLFUSA-N 1 0 400.479 3.722 20 5 HHBDRO CSC[C@H](CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237369826 970271857 /nfs/dbraw/zinc/27/18/57/970271857.db2.gz KAPXPBYUOVJDIW-NSHDSACASA-N 1 0 415.309 3.821 20 5 HHBDRO COc1cc(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c([N+](=O)[O-])cc1OC ZINC000237417300 970281182 /nfs/dbraw/zinc/28/11/82/970281182.db2.gz DLYBHBJOYRHDSU-UHFFFAOYSA-N 1 0 418.837 3.648 20 5 HHBDRO COc1cc(CN[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237440533 970289765 /nfs/dbraw/zinc/28/97/65/970289765.db2.gz RRSNYEVEZFAXKN-APWZRJJASA-N 1 0 411.502 3.897 20 5 HHBDRO COc1cccc(N2CCC[C@@H]([NH2+]Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000237506122 970304289 /nfs/dbraw/zinc/30/42/89/970304289.db2.gz LORKFTNJEOOKKS-LJQANCHMSA-N 1 0 421.501 3.763 20 5 HHBDRO C[C@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)CN1CCOCC1 ZINC000237577498 970316125 /nfs/dbraw/zinc/31/61/25/970316125.db2.gz WWJUGQOGFBSPAB-MRXNPFEDSA-N 1 0 403.454 3.584 20 5 HHBDRO C[C@H]1CN([C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c2c(F)cccc2Cl)CCO1 ZINC000237648522 970328689 /nfs/dbraw/zinc/32/86/89/970328689.db2.gz FAOKDERBVXZNLF-LIRRHRJNSA-N 1 0 407.873 3.939 20 5 HHBDRO C[C@H]1CN([C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)c2c(F)cccc2Cl)CCO1 ZINC000237649211 970329808 /nfs/dbraw/zinc/32/98/08/970329808.db2.gz VFYLHJFZZVNSJG-LIRRHRJNSA-N 1 0 407.873 3.939 20 5 HHBDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237668760 970334929 /nfs/dbraw/zinc/33/49/29/970334929.db2.gz ANNOHHAOSICBAY-OAHLLOKOSA-N 1 0 405.882 3.851 20 5 HHBDRO O=C(CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)NCc1cccnc1 ZINC000237880105 970388129 /nfs/dbraw/zinc/38/81/29/970388129.db2.gz XVMYWYIQBNIVPF-UHFFFAOYSA-N 1 0 424.432 3.717 20 5 HHBDRO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237925176 970395163 /nfs/dbraw/zinc/39/51/63/970395163.db2.gz VGEGTGNZDXITQL-IEBWSBKVSA-N 1 0 419.485 3.581 20 5 HHBDRO O=C(c1ccc(C[NH2+]Cc2c3ccccc3cc3ccccc32)cc1)N1CCNC(=O)C1 ZINC000237930621 970396591 /nfs/dbraw/zinc/39/65/91/970396591.db2.gz OWIRBVFCVVIOAL-UHFFFAOYSA-N 1 0 423.516 3.855 20 5 HHBDRO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237941577 970400857 /nfs/dbraw/zinc/40/08/57/970400857.db2.gz VGEGTGNZDXITQL-HKUYNNGSSA-N 1 0 419.485 3.581 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@@H](O)C2CCOCC2)cc1 ZINC000237962531 970406316 /nfs/dbraw/zinc/40/63/16/970406316.db2.gz JHULYCYQHFGEJC-LJQANCHMSA-N 1 0 406.866 3.918 20 5 HHBDRO O=C(NCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cccc(O)c1 ZINC000237979010 970410608 /nfs/dbraw/zinc/41/06/08/970410608.db2.gz LIXOYVXNTRUIAI-UHFFFAOYSA-N 1 0 411.483 3.939 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@]3(N4CCOCC4)CCSC3)s2)cc1 ZINC000238001270 970415067 /nfs/dbraw/zinc/41/50/67/970415067.db2.gz GLULFLVYBYQQKS-FQEVSTJZSA-N 1 0 419.572 3.621 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCSCCCO)o2)c(Br)c1 ZINC000238181967 970457126 /nfs/dbraw/zinc/45/71/26/970457126.db2.gz MIYXPQXEPAJFJR-UHFFFAOYSA-N 1 0 415.309 3.823 20 5 HHBDRO COc1ccccc1C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000409856239 973325526 /nfs/dbraw/zinc/32/55/26/973325526.db2.gz OWCHQOQOZDALNH-GOSISDBHSA-N 1 0 413.474 3.613 20 5 HHBDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000410046111 973527053 /nfs/dbraw/zinc/52/70/53/973527053.db2.gz BHHBOQAZJIYZDZ-NRFANRHFSA-N 1 0 411.502 3.563 20 5 HHBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000426274705 974362994 /nfs/dbraw/zinc/36/29/94/974362994.db2.gz AZLXNDSPKPVMSP-INIZCTEOSA-N 1 0 414.428 3.774 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000426870375 974722470 /nfs/dbraw/zinc/72/24/70/974722470.db2.gz BWRXXGMXULTMMM-QGZVFWFLSA-N 1 0 403.504 3.868 20 5 HHBDRO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000426888885 974733440 /nfs/dbraw/zinc/73/34/40/974733440.db2.gz KBDSTIBRPMWTSP-IBGZPJMESA-N 1 0 409.486 3.732 20 5 HHBDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000427299041 975035273 /nfs/dbraw/zinc/03/52/73/975035273.db2.gz IQISAVMPBMODON-GASCZTMLSA-N 1 0 409.914 3.600 20 5 HHBDRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427569015 975190167 /nfs/dbraw/zinc/19/01/67/975190167.db2.gz LYQDRNJXLFJOLS-UHFFFAOYSA-N 1 0 422.529 3.688 20 5 HHBDRO CC[NH+](CC)Cc1cccc(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000427919171 975349558 /nfs/dbraw/zinc/34/95/58/975349558.db2.gz VJGCDCBSNOOQDC-UHFFFAOYSA-N 1 0 422.485 3.680 20 5 HHBDRO CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH+]1CCCCCC1 ZINC000428449123 975757882 /nfs/dbraw/zinc/75/78/82/975757882.db2.gz VFQXHZQURCHPOL-UHFFFAOYSA-N 1 0 400.479 3.575 20 5 HHBDRO C[C@H](NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000428809366 976087390 /nfs/dbraw/zinc/08/73/90/976087390.db2.gz VNQFOKPRXLSWLE-KURKYZTESA-N 1 0 418.538 3.577 20 5 HHBDRO CCc1ccc([C@H]([NH2+]C2CCN(c3cccnn3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000429441442 976720242 /nfs/dbraw/zinc/72/02/42/976720242.db2.gz JNIVGWARQATWMX-JOCHJYFZSA-N 1 0 407.474 3.888 20 5 HHBDRO CCO[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C12CCCCC2 ZINC000429795045 977072497 /nfs/dbraw/zinc/07/24/97/977072497.db2.gz YJWWEEGVAMFTGU-OALUTQOASA-N 1 0 405.495 3.650 20 5 HHBDRO CCO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C12CCCCC2 ZINC000429795047 977072522 /nfs/dbraw/zinc/07/25/22/977072522.db2.gz YJWWEEGVAMFTGU-RBUKOAKNSA-N 1 0 405.495 3.650 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000429870594 977144967 /nfs/dbraw/zinc/14/49/67/977144967.db2.gz JBVJLVLHYKTHST-CJNGLKHVSA-N 1 0 418.291 3.923 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000429870595 977145301 /nfs/dbraw/zinc/14/53/01/977145301.db2.gz JBVJLVLHYKTHST-CZUORRHYSA-N 1 0 418.291 3.923 20 5 HHBDRO COc1cc(N[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3OC)C2)cc(OC)c1 ZINC000430204973 977390199 /nfs/dbraw/zinc/39/01/99/977390199.db2.gz SYCHFDSPWMOAOC-INIZCTEOSA-N 1 0 401.463 3.697 20 5 HHBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000430386143 977516114 /nfs/dbraw/zinc/51/61/14/977516114.db2.gz PMOIAPPTUITSIS-ZHALLVOQSA-N 1 0 402.539 3.633 20 5 HHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430820313 977776668 /nfs/dbraw/zinc/77/66/68/977776668.db2.gz FKNJEYGKWIAJTR-XJKSGUPXSA-N 1 0 412.328 3.988 20 5 HHBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000430830304 977785332 /nfs/dbraw/zinc/78/53/32/977785332.db2.gz MMWGSXKSKYLPAC-ZBFHGGJFSA-N 1 0 409.552 3.956 20 5 HHBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431172970 978072587 /nfs/dbraw/zinc/07/25/87/978072587.db2.gz MQTXVVQIXMVGHU-UHFFFAOYSA-N 1 0 418.291 3.883 20 5 HHBDRO CC(C)(NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000431795091 978518844 /nfs/dbraw/zinc/51/88/44/978518844.db2.gz OLFCHKGHGWYESC-UHFFFAOYSA-N 1 0 414.481 3.933 20 5 HHBDRO CC(C)(NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000431855247 978554519 /nfs/dbraw/zinc/55/45/19/978554519.db2.gz ALVUPMJKRKCVOC-SFHVURJKSA-N 1 0 400.479 3.949 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1C ZINC000431915292 978597788 /nfs/dbraw/zinc/59/77/88/978597788.db2.gz AGZGIEMKPSBHKK-PKOBYXMFSA-N 1 0 417.531 3.543 20 5 HHBDRO C[C@@H]1COCC[C@H]1[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000432229634 978723328 /nfs/dbraw/zinc/72/33/28/978723328.db2.gz SMMSGJLFACLKJG-XVSDVWIESA-N 1 0 403.866 3.943 20 5 HHBDRO COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433085589 979065862 /nfs/dbraw/zinc/06/58/62/979065862.db2.gz WTGZNUQCNMVYCU-FQEVSTJZSA-N 1 0 418.515 3.527 20 5 HHBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433108916 979077027 /nfs/dbraw/zinc/07/70/27/979077027.db2.gz BPNQRCOBTQVIKP-IBGZPJMESA-N 1 0 422.529 3.910 20 5 HHBDRO CC1(C)C[C@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433142831 979096898 /nfs/dbraw/zinc/09/68/98/979096898.db2.gz FSIOEHZAHYKXBY-NRFANRHFSA-N 1 0 409.486 3.579 20 5 HHBDRO CN(C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000433174432 979119052 /nfs/dbraw/zinc/11/90/52/979119052.db2.gz JDGFXYVNEJBMOZ-UHFFFAOYSA-N 1 0 422.529 3.546 20 5 HHBDRO COC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000433199340 979136687 /nfs/dbraw/zinc/13/66/87/979136687.db2.gz LBAUYXBTAMFWRR-FGZHOGPDSA-N 1 0 422.485 3.731 20 5 HHBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCC(O)CC2)cc1OC(F)F ZINC000433422792 979291026 /nfs/dbraw/zinc/29/10/26/979291026.db2.gz MVADZNLAKNYRMV-UHFFFAOYSA-N 1 0 407.417 3.765 20 5 HHBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000434033159 979772334 /nfs/dbraw/zinc/77/23/34/979772334.db2.gz VIKJPMUBYHILHZ-XEYPJELSSA-N 1 0 414.550 3.776 20 5 HHBDRO CN(C(=O)CCOc1ccccc1[N+](=O)[O-])c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434147226 979906893 /nfs/dbraw/zinc/90/68/93/979906893.db2.gz CYPPJAPQHSTRMC-UHFFFAOYSA-N 1 0 413.474 3.501 20 5 HHBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434178056 979942442 /nfs/dbraw/zinc/94/24/42/979942442.db2.gz UHLYDVJNKCKZFP-UHFFFAOYSA-N 1 0 403.866 3.999 20 5 HHBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000434332229 980096247 /nfs/dbraw/zinc/09/62/47/980096247.db2.gz HXBIXFBJOQPZST-SFHVURJKSA-N 1 0 405.458 3.799 20 5 HHBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000434357465 980113096 /nfs/dbraw/zinc/11/30/96/980113096.db2.gz LJJTXHBSWAVMHC-ROUUACIJSA-N 1 0 411.506 3.568 20 5 HHBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000434357463 980113220 /nfs/dbraw/zinc/11/32/20/980113220.db2.gz LJJTXHBSWAVMHC-QZTJIDSGSA-N 1 0 411.506 3.568 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000434781378 980395413 /nfs/dbraw/zinc/39/54/13/980395413.db2.gz FMGZGCQBFXMYFV-HKUYNNGSSA-N 1 0 424.284 3.739 20 5 HHBDRO COc1cccc(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]2CCCO2)c1 ZINC000434832394 980430249 /nfs/dbraw/zinc/43/02/49/980430249.db2.gz DRGOSYJYPQKGIH-HXUWFJFHSA-N 1 0 413.474 3.532 20 5 HHBDRO C[NH+]1CCC(N(CCO)Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000434984977 980550068 /nfs/dbraw/zinc/55/00/68/980550068.db2.gz DQYUWDVUCGJRRI-UHFFFAOYSA-N 1 0 419.909 3.929 20 5 HHBDRO CN1CCC([N@H+](CCO)Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000434989827 980553606 /nfs/dbraw/zinc/55/36/06/980553606.db2.gz FQUZEXJSUYDLCJ-UHFFFAOYSA-N 1 0 419.909 3.929 20 5 HHBDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000435056379 980601149 /nfs/dbraw/zinc/60/11/49/980601149.db2.gz MJNVTFWLKIVCNG-MRXNPFEDSA-N 1 0 403.454 3.679 20 5 HHBDRO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435275420 980753539 /nfs/dbraw/zinc/75/35/39/980753539.db2.gz RORQMZBCOMWENU-FQEVSTJZSA-N 1 0 405.458 3.799 20 5 HHBDRO Cc1c(NC(=O)NCCC[NH+]2CCC(C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435323168 980781906 /nfs/dbraw/zinc/78/19/06/980781906.db2.gz KEVBVRXWZNQRFJ-UHFFFAOYSA-N 1 0 413.316 3.909 20 5 HHBDRO Cc1c(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435330534 980788770 /nfs/dbraw/zinc/78/87/70/980788770.db2.gz UFXXOOOWGRVSEE-CYBMUJFWSA-N 1 0 411.300 3.615 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435838594 981054616 /nfs/dbraw/zinc/05/46/16/981054616.db2.gz YUHKSAXGVZGNHK-AWEZNQCLSA-N 1 0 413.468 3.954 20 5 HHBDRO C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C[NH+]1CCCCC1 ZINC000436080904 981191811 /nfs/dbraw/zinc/19/18/11/981191811.db2.gz OAJHKSYULBGHDK-CQSZACIVSA-N 1 0 413.468 3.811 20 5 HHBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436125812 981210415 /nfs/dbraw/zinc/21/04/15/981210415.db2.gz DDAJPPFCSABVRB-OAGGEKHMSA-N 1 0 409.505 3.917 20 5 HHBDRO O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC([NH+]2CCCC2)CC1 ZINC000436351196 981318364 /nfs/dbraw/zinc/31/83/64/981318364.db2.gz BXEXZHNZUKYHNT-UHFFFAOYSA-N 1 0 411.452 3.660 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000437177850 981833558 /nfs/dbraw/zinc/83/35/58/981833558.db2.gz USVDJTUIRSZXDJ-QGZVFWFLSA-N 1 0 411.380 3.655 20 5 HHBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437541654 982170743 /nfs/dbraw/zinc/17/07/43/982170743.db2.gz SMJRQKOJMIKQGX-UHFFFAOYSA-N 1 0 423.517 3.852 20 5 HHBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000460464638 982258711 /nfs/dbraw/zinc/25/87/11/982258711.db2.gz IUOJXXKPXVNMEK-UHFFFAOYSA-N 1 0 402.882 3.869 20 5 HHBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000437700868 982304920 /nfs/dbraw/zinc/30/49/20/982304920.db2.gz UMGGUJIXQRHPRY-UHFFFAOYSA-N 1 0 413.478 3.698 20 5 HHBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(C)C)C[C@H]1C ZINC000460602852 982383798 /nfs/dbraw/zinc/38/37/98/982383798.db2.gz DIAATURWRRLLFG-APWZRJJASA-N 1 0 400.527 3.818 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437865288 982420412 /nfs/dbraw/zinc/42/04/12/982420412.db2.gz JVVCXDFGSXBLJG-GOSISDBHSA-N 1 0 421.563 3.860 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000437866672 982421678 /nfs/dbraw/zinc/42/16/78/982421678.db2.gz XWCADWORYSZOML-FQEVSTJZSA-N 1 0 414.550 3.725 20 5 HHBDRO CSC1(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000460969597 982698984 /nfs/dbraw/zinc/69/89/84/982698984.db2.gz SUMSGZJMLADREM-UHFFFAOYSA-N 1 0 414.531 3.896 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000438335873 982729930 /nfs/dbraw/zinc/72/99/30/982729930.db2.gz HQMQCKDXXGDQCE-NRFANRHFSA-N 1 0 400.475 3.775 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H]2Cc3ccccc3N(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000438345633 982735727 /nfs/dbraw/zinc/73/57/27/982735727.db2.gz IYJXXQVXGOGYJP-AWEZNQCLSA-N 1 0 421.444 3.646 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000438455842 982808679 /nfs/dbraw/zinc/80/86/79/982808679.db2.gz OOWUBXRGCDCZGV-AZUAARDMSA-N 1 0 410.518 3.827 20 5 HHBDRO CC(C)[N@@H+](Cc1ccc(-c2ccccc2F)s1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438837326 983105893 /nfs/dbraw/zinc/10/58/93/983105893.db2.gz QBYSFLWLZWTHPP-INIZCTEOSA-N 1 0 418.494 3.930 20 5 HHBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461456060 983122104 /nfs/dbraw/zinc/12/21/04/983122104.db2.gz LJKFLPLLTKWLPY-OALUTQOASA-N 1 0 416.481 3.737 20 5 HHBDRO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000438864892 983129842 /nfs/dbraw/zinc/12/98/42/983129842.db2.gz LEBKQQYYWGHZEF-IRXDYDNUSA-N 1 0 411.506 3.884 20 5 HHBDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])c(OCC)c2)CC1 ZINC000439288806 983346608 /nfs/dbraw/zinc/34/66/08/983346608.db2.gz ZBVRBNDGHOQVLI-UHFFFAOYSA-N 1 0 412.490 3.778 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000439868351 983562045 /nfs/dbraw/zinc/56/20/45/983562045.db2.gz WZYKASJGPUIILQ-UHFFFAOYSA-N 1 0 404.442 3.728 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000439883848 983568690 /nfs/dbraw/zinc/56/86/90/983568690.db2.gz QNEZBZNBDPKUQD-UHFFFAOYSA-N 1 0 422.432 3.867 20 5 HHBDRO CCCOc1ccc2c(c1)CC[N@@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000441071010 984054622 /nfs/dbraw/zinc/05/46/22/984054622.db2.gz YIKOMKHACGDRQG-UHFFFAOYSA-N 1 0 411.458 3.740 20 5 HHBDRO COc1ccc(OCC[N@H+](C)Cc2cc(Br)cs2)c([N+](=O)[O-])c1 ZINC000441187163 984106231 /nfs/dbraw/zinc/10/62/31/984106231.db2.gz YUTPCGXODODPDK-UHFFFAOYSA-N 1 0 401.282 3.938 20 5 HHBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000441246896 984136543 /nfs/dbraw/zinc/13/65/43/984136543.db2.gz IQSFECOUAJYKPP-NUTKFTJISA-N 1 0 404.492 3.593 20 5 HHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441402780 984233135 /nfs/dbraw/zinc/23/31/35/984233135.db2.gz JUKZDSTXRVXMGQ-BIENJYKASA-N 1 0 406.914 3.524 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccccc2C(F)(F)F)C2CCCC2)c1 ZINC000441505577 984292274 /nfs/dbraw/zinc/29/22/74/984292274.db2.gz HZMWUHZVIHIMOU-QGZVFWFLSA-N 1 0 412.412 3.616 20 5 HHBDRO Cc1c(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)cccc1[N+](=O)[O-] ZINC000442186015 984707501 /nfs/dbraw/zinc/70/75/01/984707501.db2.gz GLEHPRLTRWIBJD-UHFFFAOYSA-N 1 0 424.501 3.755 20 5 HHBDRO C[C@@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000461696945 984713769 /nfs/dbraw/zinc/71/37/69/984713769.db2.gz XFFQXUBRYDVDJW-JKSUJKDBSA-N 1 0 413.522 3.869 20 5 HHBDRO C[NH+](C)C1(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000442725054 985187376 /nfs/dbraw/zinc/18/73/76/985187376.db2.gz SXYJHOSJBXAQPD-UHFFFAOYSA-N 1 0 415.515 3.587 20 5 HHBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000462311770 985298531 /nfs/dbraw/zinc/29/85/31/985298531.db2.gz GGJQWDUJLQOVGB-HNAYVOBHSA-N 1 0 423.560 3.580 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000462464625 985424375 /nfs/dbraw/zinc/42/43/75/985424375.db2.gz BLEKELUMHVWZCB-INIZCTEOSA-N 1 0 402.520 3.672 20 5 HHBDRO C[NH+](C)CCCOC1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000462513475 985463803 /nfs/dbraw/zinc/46/38/03/985463803.db2.gz RVWYSJDRBRJNAW-UHFFFAOYSA-N 1 0 414.506 3.506 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])s2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000443514973 985686071 /nfs/dbraw/zinc/68/60/71/985686071.db2.gz AHADZBJLDFNBGY-WFASDCNBSA-N 1 0 400.426 4.565 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000462773833 985709627 /nfs/dbraw/zinc/70/96/27/985709627.db2.gz ABZWAVBVLKSWEL-NRFANRHFSA-N 1 0 417.550 3.515 20 5 HHBDRO CNc1c(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000462775327 985712002 /nfs/dbraw/zinc/71/20/02/985712002.db2.gz GIHIMTFPZCSNNX-DJJJIMSYSA-N 1 0 420.872 3.852 20 5 HHBDRO CNc1c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000462781272 985716447 /nfs/dbraw/zinc/71/64/47/985716447.db2.gz XTOIAMAAFNWEJT-QUCCMNQESA-N 1 0 408.502 3.763 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000462806202 985737436 /nfs/dbraw/zinc/73/74/36/985737436.db2.gz GDHNWEWWKBNVCZ-CJNGLKHVSA-N 1 0 407.392 3.864 20 5 HHBDRO CCC[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000462846707 985770919 /nfs/dbraw/zinc/77/09/19/985770919.db2.gz VVVAZYMBGVZXHN-HXUWFJFHSA-N 1 0 403.504 3.766 20 5 HHBDRO CNc1c(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000462899851 985828277 /nfs/dbraw/zinc/82/82/77/985828277.db2.gz FFABHYSJBMUAMF-HXUWFJFHSA-N 1 0 412.490 3.602 20 5 HHBDRO CC(C)C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccccc1 ZINC000443758571 985971673 /nfs/dbraw/zinc/97/16/73/985971673.db2.gz MOZOPGMDNOJKGR-FXAWDEMLSA-N 1 0 419.547 3.780 20 5 HHBDRO CCC(CC)(CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccccc1 ZINC000443762557 985974598 /nfs/dbraw/zinc/97/45/98/985974598.db2.gz VVGXYQRRIPRDOP-QGZVFWFLSA-N 1 0 419.547 3.924 20 5 HHBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1OCCCO ZINC000463038816 985998241 /nfs/dbraw/zinc/99/82/41/985998241.db2.gz QYHQDSKVHITBCR-ZDUSSCGKSA-N 1 0 409.280 3.969 20 5 HHBDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000463059245 986016966 /nfs/dbraw/zinc/01/69/66/986016966.db2.gz ORMVKJJVOOCLAD-VGSWGCGISA-N 1 0 405.502 3.605 20 5 HHBDRO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000463059244 986017353 /nfs/dbraw/zinc/01/73/53/986017353.db2.gz ORMVKJJVOOCLAD-VGOFRKELSA-N 1 0 405.502 3.605 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443883023 986084513 /nfs/dbraw/zinc/08/45/13/986084513.db2.gz LZADBKOVSPZQKF-UHFFFAOYSA-N 1 0 413.371 3.957 20 5 HHBDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000468471379 986164611 /nfs/dbraw/zinc/16/46/11/986164611.db2.gz VEPQYVJZZWMHOS-MRXNPFEDSA-N 1 0 400.479 3.549 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000468484109 986181327 /nfs/dbraw/zinc/18/13/27/986181327.db2.gz PRODNYZMMXYZPO-SJORKVTESA-N 1 0 402.438 3.929 20 5 HHBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000463209588 986181331 /nfs/dbraw/zinc/18/13/31/986181331.db2.gz KSSXPZDWKWNWCJ-VWMOJTHMSA-N 1 0 409.914 3.838 20 5 HHBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444003489 986201312 /nfs/dbraw/zinc/20/13/12/986201312.db2.gz NYLPWSSXXWIGKQ-HNNXBMFYSA-N 1 0 411.452 3.706 20 5 HHBDRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)n(C)n1 ZINC000444008624 986204629 /nfs/dbraw/zinc/20/46/29/986204629.db2.gz LOZFIKHQNOBBIN-MRXNPFEDSA-N 1 0 412.519 3.519 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000463276437 986243251 /nfs/dbraw/zinc/24/32/51/986243251.db2.gz PDWVQXPJZPIYLV-UWJYYQICSA-N 1 0 408.502 3.789 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000463386214 986354201 /nfs/dbraw/zinc/35/42/01/986354201.db2.gz BSNNOWDBDGRNKK-SFHVURJKSA-N 1 0 410.518 3.722 20 5 HHBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)CC[C@@H]21 ZINC000444231516 986419101 /nfs/dbraw/zinc/41/91/01/986419101.db2.gz GBRRRFIFYHBHJJ-XCLFUZPHSA-N 1 0 411.452 3.516 20 5 HHBDRO C[C@H]1C[C@H](CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000468715082 986429827 /nfs/dbraw/zinc/42/98/27/986429827.db2.gz NAIIKFCOHSTRLS-WMZOPIPTSA-N 1 0 417.531 3.711 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444239535 986430707 /nfs/dbraw/zinc/43/07/07/986430707.db2.gz OHUPRTVSVINUGY-UHFFFAOYSA-N 1 0 415.493 3.591 20 5 HHBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444249716 986444056 /nfs/dbraw/zinc/44/40/56/986444056.db2.gz JDQFOOFGSAMVGD-MRXNPFEDSA-N 1 0 409.505 3.918 20 5 HHBDRO CC1CC[NH+](Cc2cccc(CNC(=O)CN(C)c3ccccc3[N+](=O)[O-])c2)CC1 ZINC000463606821 986584024 /nfs/dbraw/zinc/58/40/24/986584024.db2.gz PEKZKGJJEPPOKU-UHFFFAOYSA-N 1 0 410.518 3.579 20 5 HHBDRO O=C1[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCN1Cc1ccc(F)cc1F ZINC000468996018 986701242 /nfs/dbraw/zinc/70/12/42/986701242.db2.gz MAKBLCVYJPWUFO-WSGSOLELSA-N 1 0 401.413 3.667 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000444547899 986738732 /nfs/dbraw/zinc/73/87/32/986738732.db2.gz OAZJKUSXLOYRPR-UHFFFAOYSA-N 1 0 403.866 3.705 20 5 HHBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444644827 986829771 /nfs/dbraw/zinc/82/97/71/986829771.db2.gz YHCXLPMYFHAAST-MLGOLLRUSA-N 1 0 418.519 3.981 20 5 HHBDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688286 986866311 /nfs/dbraw/zinc/86/63/11/986866311.db2.gz YJWYHMCHHJGENI-UHFFFAOYSA-N 1 0 409.368 3.832 20 5 HHBDRO Cc1cccc2nc(C3CC[NH+](C[C@@H](O)COc4ccccc4[N+](=O)[O-])CC3)oc21 ZINC000444781621 986937935 /nfs/dbraw/zinc/93/79/35/986937935.db2.gz IZKRHAHTLXVPQN-QGZVFWFLSA-N 1 0 411.458 3.664 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000444910643 987058083 /nfs/dbraw/zinc/05/80/83/987058083.db2.gz XBQWHGGAIQXGRO-UHFFFAOYSA-N 1 0 413.478 3.769 20 5 HHBDRO COc1cc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000469498515 987177156 /nfs/dbraw/zinc/17/71/56/987177156.db2.gz XZFWALHMOGLQEJ-INIZCTEOSA-N 1 0 411.380 3.655 20 5 HHBDRO CNC(=O)c1ccc(NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000469552527 987223442 /nfs/dbraw/zinc/22/34/42/987223442.db2.gz SWBQYVKQWBZARM-KRWDZBQOSA-N 1 0 410.396 3.688 20 5 HHBDRO CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000470149525 988056932 /nfs/dbraw/zinc/05/69/32/988056932.db2.gz ATPGCGZTZUZZOM-UXHICEINSA-N 1 0 421.517 3.535 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000463948192 988059239 /nfs/dbraw/zinc/05/92/39/988059239.db2.gz IUPIIVLUKMUKKH-UHFFFAOYSA-N 1 0 411.506 3.777 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000470176098 988092153 /nfs/dbraw/zinc/09/21/53/988092153.db2.gz IHZBLPBPSBRUBN-HEHNFIMWSA-N 1 0 408.546 3.748 20 5 HHBDRO Cc1nn(Cc2ccc(C(=O)NCCC[NH+](C(C)C)C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000470213904 988139110 /nfs/dbraw/zinc/13/91/10/988139110.db2.gz MAGLVAWZQIRCBV-UHFFFAOYSA-N 1 0 415.538 3.695 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1cccc(C(F)(F)F)c1 ZINC000470605015 988624475 /nfs/dbraw/zinc/62/44/75/988624475.db2.gz GKZOJVFQIOGYLE-QGZVFWFLSA-N 1 0 413.371 3.714 20 5 HHBDRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464633684 988809094 /nfs/dbraw/zinc/80/90/94/988809094.db2.gz BECBZWCZEMOKAH-UHFFFAOYSA-N 1 0 409.486 3.874 20 5 HHBDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000464727794 988947463 /nfs/dbraw/zinc/94/74/63/988947463.db2.gz DWNPCWBMCWTDSP-INIZCTEOSA-N 1 0 401.429 3.916 20 5 HHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471015115 989084792 /nfs/dbraw/zinc/08/47/92/989084792.db2.gz SFCPHNYWZGGCFT-AHRSYUTCSA-N 1 0 419.485 3.770 20 5 HHBDRO O=C(C[N@@H+](CCCO)[C@H]1CCCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000471031932 989104797 /nfs/dbraw/zinc/10/47/97/989104797.db2.gz WRCWKXRODFHQAG-FQEVSTJZSA-N 1 0 417.893 3.949 20 5 HHBDRO COC(=O)[C@@H](C)[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000464875181 989136058 /nfs/dbraw/zinc/13/60/58/989136058.db2.gz DCORJMCSFYOVQW-YCRPNKLZSA-N 1 0 409.442 3.932 20 5 HHBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000464945135 989235804 /nfs/dbraw/zinc/23/58/04/989235804.db2.gz ZJQFWHBBTIVGJW-HXUWFJFHSA-N 1 0 420.513 3.920 20 5 HHBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(c2ccccc2)C1 ZINC000471169415 989295385 /nfs/dbraw/zinc/29/53/85/989295385.db2.gz NSPMCHHAKYHGAL-KRWDZBQOSA-N 1 0 402.882 3.788 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000471209897 989351935 /nfs/dbraw/zinc/35/19/35/989351935.db2.gz HEWBYNBTNHJOHF-UHFFFAOYSA-N 1 0 419.485 3.602 20 5 HHBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000471238657 989384385 /nfs/dbraw/zinc/38/43/85/989384385.db2.gz LHVIIYMRJGRBPQ-UHFFFAOYSA-N 1 0 414.481 3.693 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471382140 989560776 /nfs/dbraw/zinc/56/07/76/989560776.db2.gz ZTDTWZBDHDOCGJ-QRQLOZEOSA-N 1 0 411.527 3.666 20 5 HHBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000465264609 989618202 /nfs/dbraw/zinc/61/82/02/989618202.db2.gz WYRLRTIIHGTSRZ-UHFFFAOYSA-N 1 0 405.539 3.855 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCOCC(F)F)cc1 ZINC000471546924 989746608 /nfs/dbraw/zinc/74/66/08/989746608.db2.gz LFJCYTUFBCMNGL-UHFFFAOYSA-N 1 0 402.401 3.819 20 5 HHBDRO C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471572288 989774004 /nfs/dbraw/zinc/77/40/04/989774004.db2.gz GMPAXTARRVCMFX-VGSWGCGISA-N 1 0 410.518 3.619 20 5 HHBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000471711263 989910039 /nfs/dbraw/zinc/91/00/39/989910039.db2.gz HEZXRYUVOPSHLF-UHFFFAOYSA-N 1 0 408.487 3.838 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)CC(C)C ZINC000465581242 989951993 /nfs/dbraw/zinc/95/19/93/989951993.db2.gz ZRFBJUOZFPFERY-LJQANCHMSA-N 1 0 420.554 3.904 20 5 HHBDRO CCOc1cc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c([N+](=O)[O-])cc1OCC ZINC000466293868 991544765 /nfs/dbraw/zinc/54/47/65/991544765.db2.gz RTGZXDZGHKKXKV-MRXNPFEDSA-N 1 0 420.510 3.778 20 5 HHBDRO COc1cc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000466471387 991762400 /nfs/dbraw/zinc/76/24/00/991762400.db2.gz BRJZEBAXLJTAOB-ROUUACIJSA-N 1 0 418.412 3.839 20 5 HHBDRO COc1cc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000466471385 991762604 /nfs/dbraw/zinc/76/26/04/991762604.db2.gz BRJZEBAXLJTAOB-QZTJIDSGSA-N 1 0 418.412 3.839 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000466519664 991811439 /nfs/dbraw/zinc/81/14/39/991811439.db2.gz ACRJJJHQYKNORE-UHFFFAOYSA-N 1 0 401.488 3.795 20 5 HHBDRO COc1cccc(NC2CC[NH+](CCOc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000466728790 992039043 /nfs/dbraw/zinc/03/90/43/992039043.db2.gz KLGRZLHNDGTWIQ-UHFFFAOYSA-N 1 0 401.463 3.567 20 5 HHBDRO CC[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](CC)CN1C(C)=O ZINC000472330166 993338806 /nfs/dbraw/zinc/33/88/06/993338806.db2.gz UBWVZQCMJIATMM-ZWKOTPCHSA-N 1 0 400.479 3.514 20 5 HHBDRO Cc1cc(N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000472501349 993500497 /nfs/dbraw/zinc/50/04/97/993500497.db2.gz PCRWLQRBTWNCLH-MRXNPFEDSA-N 1 0 418.432 3.698 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000472750465 993684546 /nfs/dbraw/zinc/68/45/46/993684546.db2.gz KRVRKISEIHMTKR-UHFFFAOYSA-N 1 0 419.485 3.602 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1C ZINC000480964619 993804875 /nfs/dbraw/zinc/80/48/75/993804875.db2.gz RXHTWVLBZLJBQT-KRWDZBQOSA-N 1 0 417.531 3.716 20 5 HHBDRO CCC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NC(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000481028259 993872840 /nfs/dbraw/zinc/87/28/40/993872840.db2.gz WXRCONPPOMOATK-FQEVSTJZSA-N 1 0 405.520 3.913 20 5 HHBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000481063895 993904553 /nfs/dbraw/zinc/90/45/53/993904553.db2.gz YURFZUAAWPSACQ-CRAIPNDOSA-N 1 0 423.560 3.635 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000481232213 994062485 /nfs/dbraw/zinc/06/24/85/994062485.db2.gz WYPUFJHEPJJVDC-PMACEKPBSA-N 1 0 411.458 3.752 20 5 HHBDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000481312288 994129253 /nfs/dbraw/zinc/12/92/53/994129253.db2.gz WZJLXGKTTUNMAR-IAGOWNOFSA-N 1 0 417.531 3.866 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000481384371 994215462 /nfs/dbraw/zinc/21/54/62/994215462.db2.gz UXSYMOIWAKMBHV-BUXKBTBVSA-N 1 0 407.854 3.561 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000473503882 994352898 /nfs/dbraw/zinc/35/28/98/994352898.db2.gz FKQQZCGJRBDAPZ-HSZRJFAPSA-N 1 0 409.486 3.732 20 5 HHBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481673769 994533575 /nfs/dbraw/zinc/53/35/75/994533575.db2.gz UCZFBWIPRZNBNN-PXAZEXFGSA-N 1 0 411.911 3.958 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000473694430 994585072 /nfs/dbraw/zinc/58/50/72/994585072.db2.gz XKESMDDRFPPTRK-HZPDHXFCSA-N 1 0 412.490 3.882 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000481807355 994655425 /nfs/dbraw/zinc/65/54/25/994655425.db2.gz BYYAOEGALRHBJJ-HZPDHXFCSA-N 1 0 402.422 3.712 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1(c2ccccc2)CCCC1 ZINC000481850546 994707678 /nfs/dbraw/zinc/70/76/78/994707678.db2.gz YQVXNESIXNYJFU-OAHLLOKOSA-N 1 0 411.458 3.752 20 5 HHBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000481883289 994748824 /nfs/dbraw/zinc/74/88/24/994748824.db2.gz IQTHAKYOSULNKN-NVXWUHKLSA-N 1 0 421.906 3.553 20 5 HHBDRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2)CC1 ZINC000473835407 994768924 /nfs/dbraw/zinc/76/89/24/994768924.db2.gz CLJPLAAQUDMOEU-KRWDZBQOSA-N 1 0 411.506 3.928 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000481991913 994893333 /nfs/dbraw/zinc/89/33/33/994893333.db2.gz MPKYTGKWFUKZFT-HZPDHXFCSA-N 1 0 409.552 3.572 20 5 HHBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482165012 995122729 /nfs/dbraw/zinc/12/27/29/995122729.db2.gz QCMVWVUFBVAVHP-HXUWFJFHSA-N 1 0 409.490 3.891 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000482258990 995237378 /nfs/dbraw/zinc/23/73/78/995237378.db2.gz RMKCXYVPQRWYFJ-HXUWFJFHSA-N 1 0 401.894 3.818 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]Cc2oc3ccc(F)cc3c2C)cc1[N+](=O)[O-] ZINC000474353210 995332776 /nfs/dbraw/zinc/33/27/76/995332776.db2.gz MUATVFATMAYRIA-UHFFFAOYSA-N 1 0 402.378 3.630 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000474374259 995353263 /nfs/dbraw/zinc/35/32/63/995353263.db2.gz RYAPETOVBAGZQY-JSGCOSHPSA-N 1 0 404.385 3.605 20 5 HHBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000474581134 995541270 /nfs/dbraw/zinc/54/12/70/995541270.db2.gz USWRADBGEUDVQV-UHFFFAOYSA-N 1 0 418.881 3.651 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1SC ZINC000482603307 995602458 /nfs/dbraw/zinc/60/24/58/995602458.db2.gz KZLCRDOXEARUIX-UHFFFAOYSA-N 1 0 419.503 3.655 20 5 HHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000482880923 995813554 /nfs/dbraw/zinc/81/35/54/995813554.db2.gz CEOYYOAXUFXPHZ-INIZCTEOSA-N 1 0 405.454 3.974 20 5 HHBDRO Cc1cccc(CC2(O)CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000482939961 995868645 /nfs/dbraw/zinc/86/86/45/995868645.db2.gz DAYFYXSOFKNGAT-UHFFFAOYSA-N 1 0 411.502 3.610 20 5 HHBDRO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475105876 995925798 /nfs/dbraw/zinc/92/57/98/995925798.db2.gz FGDABCXURFOXRP-HSZRJFAPSA-N 1 0 408.502 3.793 20 5 HHBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000475116089 995931976 /nfs/dbraw/zinc/93/19/76/995931976.db2.gz DTRPPZWAAGBTDO-JOCHJYFZSA-N 1 0 400.475 3.919 20 5 HHBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000483235103 996052183 /nfs/dbraw/zinc/05/21/83/996052183.db2.gz LEBHCDNZDAXNGC-INIZCTEOSA-N 1 0 404.772 3.969 20 5 HHBDRO CCCOc1ccc(C(C)(C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000483261169 996067284 /nfs/dbraw/zinc/06/72/84/996067284.db2.gz FPMOTHNJHJZTCU-UHFFFAOYSA-N 1 0 415.446 3.576 20 5 HHBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000483407220 996158163 /nfs/dbraw/zinc/15/81/63/996158163.db2.gz RQQZYPSYGWJAOC-FUHWJXTLSA-N 1 0 409.577 3.747 20 5 HHBDRO C[C@@H]1CCC[C@@H]([N@H+](Cc2c([N+](=O)[O-])ncn2C)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000475524611 996200571 /nfs/dbraw/zinc/20/05/71/996200571.db2.gz ALWPWINLMBOWFM-HLLBOEOZSA-N 1 0 400.479 3.884 20 5 HHBDRO COC(=O)c1cc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c(C)c([N+](=O)[O-])c1 ZINC000483597140 996276280 /nfs/dbraw/zinc/27/62/80/996276280.db2.gz ZABDPKFGSJMDES-IFXJQAMLSA-N 1 0 414.462 3.503 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000475663690 996285714 /nfs/dbraw/zinc/28/57/14/996285714.db2.gz DLCWWFSPMUASMI-OAQYLSRUSA-N 1 0 422.428 3.774 20 5 HHBDRO CC(C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000475711005 996315634 /nfs/dbraw/zinc/31/56/34/996315634.db2.gz AGNZBGRIZVRWRF-OAHLLOKOSA-N 1 0 414.380 3.758 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000475713852 996317150 /nfs/dbraw/zinc/31/71/50/996317150.db2.gz FSJUEHASQRJTHJ-LHSJRXKWSA-N 1 0 402.422 3.869 20 5 HHBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)CCC2 ZINC000475714205 996317236 /nfs/dbraw/zinc/31/72/36/996317236.db2.gz HADNDIGKSHBLSR-HNNXBMFYSA-N 1 0 419.503 3.675 20 5 HHBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000483709187 996341536 /nfs/dbraw/zinc/34/15/36/996341536.db2.gz IQSFECOUAJYKPP-XGWLTEMNSA-N 1 0 404.492 3.593 20 5 HHBDRO CC[NH+](CC)CCOc1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000484147310 996598806 /nfs/dbraw/zinc/59/88/06/996598806.db2.gz PZCQNSHEKJHCBA-UHFFFAOYSA-N 1 0 400.479 3.946 20 5 HHBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000484276726 996674020 /nfs/dbraw/zinc/67/40/20/996674020.db2.gz FAIBNWWNIBTFTF-UHFFFAOYSA-N 1 0 420.473 3.660 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000484317598 996699389 /nfs/dbraw/zinc/69/93/89/996699389.db2.gz JJYWQDGBMTUNOC-UHFFFAOYSA-N 1 0 409.552 3.527 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484355197 996724623 /nfs/dbraw/zinc/72/46/23/996724623.db2.gz WWEAUCHDPHFGEF-HNNXBMFYSA-N 1 0 403.401 3.842 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000484493103 996816230 /nfs/dbraw/zinc/81/62/30/996816230.db2.gz NFHCOMHHPWQMQM-LJQANCHMSA-N 1 0 409.530 3.987 20 5 HHBDRO CC1CC[NH+]([C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c2cccs2)CC1 ZINC000485037079 997401558 /nfs/dbraw/zinc/40/15/58/997401558.db2.gz XWWRCXRTOAFRQX-INIZCTEOSA-N 1 0 417.487 3.588 20 5 HHBDRO C[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000485309828 997719957 /nfs/dbraw/zinc/71/99/57/997719957.db2.gz ANEMUNJUAMJZIG-KRWDZBQOSA-N 1 0 408.502 3.716 20 5 HHBDRO O=C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000485333655 997749310 /nfs/dbraw/zinc/74/93/10/997749310.db2.gz APTDFXGTURMWFB-FPOVZHCZSA-N 1 0 408.502 3.520 20 5 HHBDRO CN(C(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000485342171 997761118 /nfs/dbraw/zinc/76/11/18/997761118.db2.gz CFXCWZNNVSKEBH-OFNKIYASSA-N 1 0 422.529 3.544 20 5 HHBDRO CN1CC[NH+](CCC(C)(C)Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485399972 997830736 /nfs/dbraw/zinc/83/07/36/997830736.db2.gz DJIFFNXGARBTJF-UHFFFAOYSA-N 1 0 401.486 3.624 20 5 HHBDRO C[NH+](C)CCOc1cc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)ccn1 ZINC000485417643 997851238 /nfs/dbraw/zinc/85/12/38/997851238.db2.gz RMJPYTVFKIDQQH-UHFFFAOYSA-N 1 0 411.437 3.743 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000477261802 997938455 /nfs/dbraw/zinc/93/84/55/997938455.db2.gz BADWPTCFFOSORE-JOCHJYFZSA-N 1 0 406.486 3.645 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000485580521 998029103 /nfs/dbraw/zinc/02/91/03/998029103.db2.gz PHUZPBBPWWIAJR-HIFRSBDPSA-N 1 0 405.401 3.589 20 5 HHBDRO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000485665267 998119136 /nfs/dbraw/zinc/11/91/36/998119136.db2.gz CETQCBNEJAEYTQ-SFHVURJKSA-N 1 0 411.506 3.820 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000485701191 998164858 /nfs/dbraw/zinc/16/48/58/998164858.db2.gz LXLIMUZMCBMNIO-INIZCTEOSA-N 1 0 403.504 3.636 20 5 HHBDRO COc1cc(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000477682519 998395302 /nfs/dbraw/zinc/39/53/02/998395302.db2.gz ZWLHMCBYWXIDDM-HOTGVXAUSA-N 1 0 411.502 3.798 20 5 HHBDRO COc1cc(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000477682520 998395531 /nfs/dbraw/zinc/39/55/31/998395531.db2.gz ZWLHMCBYWXIDDM-HZPDHXFCSA-N 1 0 411.502 3.798 20 5 HHBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000486016412 998462278 /nfs/dbraw/zinc/46/22/78/998462278.db2.gz LCHGQIJSKBRLCO-KRWDZBQOSA-N 1 0 409.486 3.515 20 5 HHBDRO COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000486222024 998657795 /nfs/dbraw/zinc/65/77/95/998657795.db2.gz MNKJOWKVEUQHBB-ITEAAPOESA-N 1 0 424.501 3.942 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000477923182 998659924 /nfs/dbraw/zinc/65/99/24/998659924.db2.gz UIOKKOBNPWHFCK-KDOFPFPSSA-N 1 0 401.438 3.584 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000478034238 998725488 /nfs/dbraw/zinc/72/54/88/998725488.db2.gz GGWOSKGOOBGYTD-PGRDOPGGSA-N 1 0 414.550 3.677 20 5 HHBDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000486455971 998778062 /nfs/dbraw/zinc/77/80/62/998778062.db2.gz DHSDLYHVFRLNLK-IAGOWNOFSA-N 1 0 412.490 3.568 20 5 HHBDRO CSc1cccc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000486477002 998786936 /nfs/dbraw/zinc/78/69/36/998786936.db2.gz GBECPZQONNXQRC-UHFFFAOYSA-N 1 0 403.479 3.850 20 5 HHBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000486497296 998794447 /nfs/dbraw/zinc/79/44/47/998794447.db2.gz LCHGQIJSKBRLCO-QGZVFWFLSA-N 1 0 409.486 3.515 20 5 HHBDRO Cn1c(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000486560489 998826175 /nfs/dbraw/zinc/82/61/75/998826175.db2.gz BSANTUPKPUDJLK-GOSISDBHSA-N 1 0 406.433 3.557 20 5 HHBDRO COC(=O)c1cnc(NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000478293947 998870350 /nfs/dbraw/zinc/87/03/50/998870350.db2.gz YIFQHDJHDBWNSV-INIZCTEOSA-N 1 0 404.492 3.723 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000486750402 998922082 /nfs/dbraw/zinc/92/20/82/998922082.db2.gz GBEURSYAHHMTQE-MSOLQXFVSA-N 1 0 411.506 3.507 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000486750403 998922143 /nfs/dbraw/zinc/92/21/43/998922143.db2.gz GBEURSYAHHMTQE-QZTJIDSGSA-N 1 0 411.506 3.507 20 5 HHBDRO Cc1c(C[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)cccc1[N+](=O)[O-] ZINC000478504755 998999036 /nfs/dbraw/zinc/99/90/36/998999036.db2.gz CXDXRMDGFHTFNN-ROUUACIJSA-N 1 0 407.470 3.990 20 5 HHBDRO CSc1cccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1[N+](=O)[O-] ZINC000486928818 999010031 /nfs/dbraw/zinc/01/00/31/999010031.db2.gz OOHPTZGMLSULGK-UHFFFAOYSA-N 1 0 415.515 3.773 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2noc(NCc3ccc(OCC[NH+]4CCCC4)cc3)n2)cc1 ZINC000486942901 999013906 /nfs/dbraw/zinc/01/39/06/999013906.db2.gz NHLZUMOXCSTCSH-UHFFFAOYSA-N 1 0 409.446 3.732 20 5 HHBDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000487106970 999064022 /nfs/dbraw/zinc/06/40/22/999064022.db2.gz FZWSPBWBNSWDEI-UHFFFAOYSA-N 1 0 420.554 3.811 20 5 HHBDRO C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487341614 999140594 /nfs/dbraw/zinc/14/05/94/999140594.db2.gz DPSPTGOXXHLUDF-GHTZIAJQSA-N 1 0 422.529 3.835 20 5 HHBDRO Cc1ccc(-n2cnc3c2CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C3)cc1 ZINC000487987901 999337862 /nfs/dbraw/zinc/33/78/62/999337862.db2.gz LZRCRNWTUAJHSK-UHFFFAOYSA-N 1 0 419.485 3.784 20 5 HHBDRO CC(C)NC(=O)c1ccc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000488011706 999347591 /nfs/dbraw/zinc/34/75/91/999347591.db2.gz UYCDUUVGHMQDGW-LJQANCHMSA-N 1 0 410.518 3.710 20 5 HHBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000488014661 999349010 /nfs/dbraw/zinc/34/90/10/999349010.db2.gz OAQWUJRLRHAURN-UHFFFAOYSA-N 1 0 416.909 3.886 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCCn1cc(Br)cn1)C1CC1 ZINC000479451595 999423723 /nfs/dbraw/zinc/42/37/23/999423723.db2.gz JXAXORIFBMKFQX-KRWDZBQOSA-N 1 0 407.312 3.945 20 5 HHBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000479517575 999456022 /nfs/dbraw/zinc/45/60/22/999456022.db2.gz XWHZDSBJBTWRGS-UHFFFAOYSA-N 1 0 410.312 3.742 20 5 HHBDRO CC(C)(NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000488383212 999467984 /nfs/dbraw/zinc/46/79/84/999467984.db2.gz WMZLXILPJCGTII-UHFFFAOYSA-N 1 0 414.481 3.933 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000488458583 999492656 /nfs/dbraw/zinc/49/26/56/999492656.db2.gz NIBLSACTWXXLII-QRWLVFNGSA-N 1 0 401.894 3.818 20 5 HHBDRO COc1cc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc([N+](=O)[O-])c1C ZINC000479936962 999655302 /nfs/dbraw/zinc/65/53/02/999655302.db2.gz CDKYAQLMAGATMI-UHFFFAOYSA-N 1 0 409.486 3.575 20 5 HHBDRO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)N(C1CCCCC1)C1CCCCC1 ZINC000489002716 999669091 /nfs/dbraw/zinc/66/90/91/999669091.db2.gz ATFFZQMTMVWMJG-UHFFFAOYSA-N 1 0 417.554 3.922 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H](Oc4ncccc4F)C3)o2)c1 ZINC000489006195 999669964 /nfs/dbraw/zinc/66/99/64/999669964.db2.gz FBOXNMNHIWLKBD-QGZVFWFLSA-N 1 0 412.421 3.870 20 5 HHBDRO C[N@@H+]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C2(CCCCC2)C1 ZINC000480062311 999706189 /nfs/dbraw/zinc/70/61/89/999706189.db2.gz DRVZWXWKOLTDEQ-UHFFFAOYSA-N 1 0 400.504 3.809 20 5 HHBDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000489140527 999710380 /nfs/dbraw/zinc/71/03/80/999710380.db2.gz PXJWJZZTIYABAQ-UYAOXDASSA-N 1 0 415.465 3.923 20 5 HHBDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000489333348 999747512 /nfs/dbraw/zinc/74/75/12/999747512.db2.gz RJCXFKYAPDZFEF-KRWDZBQOSA-N 1 0 411.506 3.555 20 5 HHBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000489347996 999750058 /nfs/dbraw/zinc/75/00/58/999750058.db2.gz CBPJRKRMRBCJLN-IERDGZPVSA-N 1 0 411.506 3.575 20 5 HHBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)CC1 ZINC000489577358 999796002 /nfs/dbraw/zinc/79/60/02/999796002.db2.gz NCJIPTDHECPZIJ-UHFFFAOYSA-N 1 0 409.552 3.527 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2noc(NC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)n2)cc1 ZINC000480547219 999823395 /nfs/dbraw/zinc/82/33/95/999823395.db2.gz HZRXTQJMQCXTPD-UHFFFAOYSA-N 1 0 411.384 3.862 20 5 HHBDRO O=[N+]([O-])c1cnc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(Br)c1 ZINC000480557101 999826098 /nfs/dbraw/zinc/82/60/98/999826098.db2.gz PPQSASCGJQCHEB-UHFFFAOYSA-N 1 0 423.233 3.970 20 5 HHBDRO Cc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000480588961 999834222 /nfs/dbraw/zinc/83/42/22/999834222.db2.gz LJTFAHBYZTYIRO-OYRHEFFESA-N 1 0 415.497 3.928 20 5 HHBDRO CC(C)Oc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[NH+](C)C)cc1 ZINC000489963111 999869845 /nfs/dbraw/zinc/86/98/45/999869845.db2.gz PSLSVJKQPFZISB-HXUWFJFHSA-N 1 0 419.909 3.997 20 5 HHBDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000490167695 999903338 /nfs/dbraw/zinc/90/33/38/999903338.db2.gz MEXMGLFCARSWKM-UHFFFAOYSA-N 1 0 411.911 3.569 20 5 HHBDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000490339284 999940192 /nfs/dbraw/zinc/94/01/92/999940192.db2.gz HRWMUWJUIQURAP-CQSZACIVSA-N 1 0 405.392 3.747 20 5 HHBDRO C[C@@]1(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCC[N@@H+]1Cc1ccccc1 ZINC000490529097 999972894 /nfs/dbraw/zinc/97/28/94/999972894.db2.gz VUBQKURHLDFUBA-QHCPKHFHSA-N 1 0 419.485 3.565 20 5 HHBDRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490548485 999975859 /nfs/dbraw/zinc/97/58/59/999975859.db2.gz WFXOXWGRCVEJRJ-UHFFFAOYSA-N 1 0 422.529 3.688 20 5 HHBDRO CCOc1cc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)c([N+](=O)[O-])cc1OCC ZINC000490780039 1000005116 /nfs/dbraw/zinc/00/51/16/1000005116.db2.gz DIRMDQBSNFEMCV-UHFFFAOYSA-N 1 0 422.526 3.978 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccs1 ZINC000491962787 1000102562 /nfs/dbraw/zinc/10/25/62/1000102562.db2.gz WZIXRICZIFDZTC-AWEZNQCLSA-N 1 0 416.425 3.777 20 5 HHBDRO COc1cc(C[NH2+]Cc2ccccc2-n2ccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000492236933 1000117062 /nfs/dbraw/zinc/11/70/62/1000117062.db2.gz NUBSDFASKNTMMV-UHFFFAOYSA-N 1 0 418.400 3.723 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCc3cc(OC)c(OC)c(OC)c3CC2)ccc1[N+](=O)[O-] ZINC000492481415 1000128588 /nfs/dbraw/zinc/12/85/88/1000128588.db2.gz DJIODIKIZOLXKC-UHFFFAOYSA-N 1 0 416.474 3.620 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000493137200 1000159506 /nfs/dbraw/zinc/15/95/06/1000159506.db2.gz GEIGNHICMNMUGU-GOSISDBHSA-N 1 0 409.552 3.574 20 5 HHBDRO CC(C)OC(=O)C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000493183179 1000162100 /nfs/dbraw/zinc/16/21/00/1000162100.db2.gz SBXRYZIIPPPKKI-SFHVURJKSA-N 1 0 419.522 3.606 20 5 HHBDRO C[C@@H]1[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000494013673 1000267159 /nfs/dbraw/zinc/26/71/59/1000267159.db2.gz AEJAWTNBXUQOPX-XLIONFOSSA-N 1 0 408.502 3.588 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000504597320 1000286593 /nfs/dbraw/zinc/28/65/93/1000286593.db2.gz IONSBTMEWGXWCP-INIZCTEOSA-N 1 0 414.481 3.675 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494199626 1000358198 /nfs/dbraw/zinc/35/81/98/1000358198.db2.gz XJPIQAVNUCPUEW-ZDUSSCGKSA-N 1 0 402.417 3.677 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000504899803 1000435668 /nfs/dbraw/zinc/43/56/68/1000435668.db2.gz MLFPVYURJKUGNL-SIKLNZKXSA-N 1 0 415.559 3.692 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)cc1[N+](=O)[O-] ZINC000504899322 1000435715 /nfs/dbraw/zinc/43/57/15/1000435715.db2.gz DWUVTPRPRHXJAT-MRXNPFEDSA-N 1 0 423.473 3.680 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000504900106 1000436562 /nfs/dbraw/zinc/43/65/62/1000436562.db2.gz RJSOULOCCQZRRI-OAHLLOKOSA-N 1 0 403.454 3.820 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000504912280 1000443737 /nfs/dbraw/zinc/44/37/37/1000443737.db2.gz TWQPJSBPZMWQEE-FXAWDEMLSA-N 1 0 411.502 3.878 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000504912509 1000444538 /nfs/dbraw/zinc/44/45/38/1000444538.db2.gz WZODEECPNBAPJM-CABCVRRESA-N 1 0 421.519 3.656 20 5 HHBDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000494466208 1000507082 /nfs/dbraw/zinc/50/70/82/1000507082.db2.gz OXPACVCXYMVUJM-UHFFFAOYSA-N 1 0 403.504 3.583 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2OC)[NH+]2CCCCC2)cc1 ZINC000494610832 1000572688 /nfs/dbraw/zinc/57/26/88/1000572688.db2.gz FCQFELYTJRUMSL-HXUWFJFHSA-N 1 0 413.474 3.569 20 5 HHBDRO C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000494676038 1000599060 /nfs/dbraw/zinc/59/90/60/1000599060.db2.gz XMPRIQOUCWQUAB-ZDUSSCGKSA-N 1 0 402.417 3.535 20 5 HHBDRO C[N@H+](CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCCCC1 ZINC000494899350 1000719729 /nfs/dbraw/zinc/71/97/29/1000719729.db2.gz AFRSXXZQVAHOHR-UHFFFAOYSA-N 1 0 402.417 3.677 20 5 HHBDRO COCC[N@H+](C)CC[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000505553922 1000899517 /nfs/dbraw/zinc/89/95/17/1000899517.db2.gz SACQHWXPTIKHDL-FQEVSTJZSA-N 1 0 410.474 3.516 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2CCO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000495182023 1000904614 /nfs/dbraw/zinc/90/46/14/1000904614.db2.gz FRENLURKRCWUHD-AZUAARDMSA-N 1 0 400.475 3.823 20 5 HHBDRO C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000505582560 1000919970 /nfs/dbraw/zinc/91/99/70/1000919970.db2.gz VMEYNRZFMVZGAE-SJKOYZFVSA-N 1 0 406.280 3.779 20 5 HHBDRO CC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000495437992 1001012224 /nfs/dbraw/zinc/01/22/24/1001012224.db2.gz FPQCEGPCQKOVLQ-GOSISDBHSA-N 1 0 419.909 3.999 20 5 HHBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)c(F)c1 ZINC000495440593 1001012652 /nfs/dbraw/zinc/01/26/52/1001012652.db2.gz UVBHGBVYTRVFDU-NSHDSACASA-N 1 0 400.859 3.684 20 5 HHBDRO O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000505794316 1001027878 /nfs/dbraw/zinc/02/78/78/1001027878.db2.gz FTFOATOJJXUQFT-UHFFFAOYSA-N 1 0 410.474 3.591 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000505806347 1001036640 /nfs/dbraw/zinc/03/66/40/1001036640.db2.gz GCGBJLVTNPOYHV-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO COCC[NH+](CCOC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000505907356 1001093121 /nfs/dbraw/zinc/09/31/21/1001093121.db2.gz MGHUOLDITCCMNU-UHFFFAOYSA-N 1 0 413.268 3.712 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000505925341 1001105382 /nfs/dbraw/zinc/10/53/82/1001105382.db2.gz RLGQUEBXSMLXCW-ROUUACIJSA-N 1 0 411.506 3.507 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000505925055 1001105479 /nfs/dbraw/zinc/10/54/79/1001105479.db2.gz NTQFVSYPRSFCDJ-QZTJIDSGSA-N 1 0 411.506 3.507 20 5 HHBDRO CCOc1ccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000496242347 1001144863 /nfs/dbraw/zinc/14/48/63/1001144863.db2.gz FHZHNAITKOCZHM-IBGZPJMESA-N 1 0 412.490 3.515 20 5 HHBDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000506021237 1001168741 /nfs/dbraw/zinc/16/87/41/1001168741.db2.gz IIRDMGASGBRXCR-CQSZACIVSA-N 1 0 415.471 3.695 20 5 HHBDRO CCOc1cc(C[N@H+](C)[C@@H]2CCSC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000506230926 1001294571 /nfs/dbraw/zinc/29/45/71/1001294571.db2.gz DXQRLIPUMVTEGM-QGZVFWFLSA-N 1 0 420.535 3.515 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)c(F)c1 ZINC000497354318 1001305492 /nfs/dbraw/zinc/30/54/92/1001305492.db2.gz FJHUKJYJAMIKAN-UHFFFAOYSA-N 1 0 421.494 3.588 20 5 HHBDRO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506282490 1001326978 /nfs/dbraw/zinc/32/69/78/1001326978.db2.gz SBTDYAQNVJJFTK-SFHVURJKSA-N 1 0 419.485 3.846 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000506448586 1001417767 /nfs/dbraw/zinc/41/77/67/1001417767.db2.gz TVOCTCFJAIJGRY-BZSNNMDCSA-N 1 0 418.538 3.517 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000506452280 1001419493 /nfs/dbraw/zinc/41/94/93/1001419493.db2.gz QYHDITHDPAIXEB-YOEHRIQHSA-N 1 0 421.881 3.870 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506468396 1001426421 /nfs/dbraw/zinc/42/64/21/1001426421.db2.gz DEPGGIUQOYCGIH-FGTMMUONSA-N 1 0 418.538 3.517 20 5 HHBDRO CCOc1ccc(NC(=O)CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000506473776 1001428759 /nfs/dbraw/zinc/42/87/59/1001428759.db2.gz ZWXOHPAPTAWMOH-QZTJIDSGSA-N 1 0 418.538 3.518 20 5 HHBDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000497781723 1001512753 /nfs/dbraw/zinc/51/27/53/1001512753.db2.gz NHQGXFNLHBBAIS-UHFFFAOYSA-N 1 0 405.520 3.532 20 5 HHBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccccc1 ZINC000497861522 1001540439 /nfs/dbraw/zinc/54/04/39/1001540439.db2.gz YEOVWAKROQEALE-HNNXBMFYSA-N 1 0 417.531 3.538 20 5 HHBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2)CC1 ZINC000497925076 1001567401 /nfs/dbraw/zinc/56/74/01/1001567401.db2.gz NQTSSAYFVMFVNJ-UHFFFAOYSA-N 1 0 419.485 3.533 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000498053623 1001623242 /nfs/dbraw/zinc/62/32/42/1001623242.db2.gz HULXPESFPMRRDS-QGZVFWFLSA-N 1 0 403.866 3.824 20 5 HHBDRO COc1cccc([C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000498070205 1001629706 /nfs/dbraw/zinc/62/97/06/1001629706.db2.gz RFGMKHVDLSUPDH-SFHVURJKSA-N 1 0 403.866 3.824 20 5 HHBDRO C[NH+](C)CCOC1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000498337529 1001783522 /nfs/dbraw/zinc/78/35/22/1001783522.db2.gz SJSZYRPKWAPHLD-UHFFFAOYSA-N 1 0 412.490 3.521 20 5 HHBDRO C[NH+](C)CCCCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000498351911 1001790235 /nfs/dbraw/zinc/79/02/35/1001790235.db2.gz DGNRWBDOCOUSTH-UHFFFAOYSA-N 1 0 404.898 3.932 20 5 HHBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000507096185 1001805066 /nfs/dbraw/zinc/80/50/66/1001805066.db2.gz AXTDMZJFJLWCDG-UHFFFAOYSA-N 1 0 411.502 3.531 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507292318 1001976252 /nfs/dbraw/zinc/97/62/52/1001976252.db2.gz QYMWJMULFVZSBQ-FQEVSTJZSA-N 1 0 423.513 3.562 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000507387620 1002041552 /nfs/dbraw/zinc/04/15/52/1002041552.db2.gz HGPBPFVWQAPPBW-CGTJXYLNSA-N 1 0 409.490 3.520 20 5 HHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000507612763 1002218604 /nfs/dbraw/zinc/21/86/04/1002218604.db2.gz ILCHREQUGDMVRY-GHTZIAJQSA-N 1 0 422.529 3.763 20 5 HHBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000508341760 1002844415 /nfs/dbraw/zinc/84/44/15/1002844415.db2.gz WHGNSXNIGJOOIQ-FGTMMUONSA-N 1 0 402.539 3.681 20 5 HHBDRO CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499483844 1002871742 /nfs/dbraw/zinc/87/17/42/1002871742.db2.gz FZKVKEPZWWIWEQ-UHFFFAOYSA-N 1 0 419.485 3.517 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cn3cncn3)o2)c([N+](=O)[O-])c1 ZINC000508729189 1003169375 /nfs/dbraw/zinc/16/93/75/1003169375.db2.gz GYEMOPLYEUKRNS-UHFFFAOYSA-N 1 0 419.441 3.793 20 5 HHBDRO C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000500095005 1003456680 /nfs/dbraw/zinc/45/66/80/1003456680.db2.gz XEAKOYGVODPONO-UYAOXDASSA-N 1 0 410.518 3.908 20 5 HHBDRO CN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000500151835 1003507691 /nfs/dbraw/zinc/50/76/91/1003507691.db2.gz VRMWHICJKPOOGW-UHFFFAOYSA-N 1 0 423.922 3.533 20 5 HHBDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000509062242 1003524896 /nfs/dbraw/zinc/52/48/96/1003524896.db2.gz CNSOWBGJJMTPMA-LJQANCHMSA-N 1 0 400.479 3.734 20 5 HHBDRO C[NH+](C)CCOc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000500275063 1003594544 /nfs/dbraw/zinc/59/45/44/1003594544.db2.gz UGUKDWXVBCEGLN-UHFFFAOYSA-N 1 0 415.493 3.734 20 5 HHBDRO C[C@@]1(C[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCOC1 ZINC000500290181 1003602736 /nfs/dbraw/zinc/60/27/36/1003602736.db2.gz MUUCRBAFGXZKNF-QUCCMNQESA-N 1 0 403.866 3.944 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)[NH+]1CCCCC1 ZINC000511834695 1003811210 /nfs/dbraw/zinc/81/12/10/1003811210.db2.gz MAKPBXIVQYULHJ-IBGZPJMESA-N 1 0 413.474 3.569 20 5 HHBDRO Cc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000511839972 1003817287 /nfs/dbraw/zinc/81/72/87/1003817287.db2.gz DIGOPMSKTNTPPZ-MRXNPFEDSA-N 1 0 407.392 3.926 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000511871957 1003851153 /nfs/dbraw/zinc/85/11/53/1003851153.db2.gz GGQSVNYVIMPSAV-PWRODBHTSA-N 1 0 400.500 3.637 20 5 HHBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000511915834 1003890068 /nfs/dbraw/zinc/89/00/68/1003890068.db2.gz XETBRFVMDHVYNB-QFIPXVFZSA-N 1 0 410.518 3.689 20 5 HHBDRO O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512041410 1003975489 /nfs/dbraw/zinc/97/54/89/1003975489.db2.gz MBSDPOMULHDQGB-QGZVFWFLSA-N 1 0 422.407 3.687 20 5 HHBDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000500957956 1004078025 /nfs/dbraw/zinc/07/80/25/1004078025.db2.gz BYQCSOGYPYVKMN-UHFFFAOYSA-N 1 0 420.307 3.870 20 5 HHBDRO C[C@@H]1C[N@@H+](CC2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)C[C@H](C)O1 ZINC000512181796 1004084175 /nfs/dbraw/zinc/08/41/75/1004084175.db2.gz QHYRUQYYWFSQRG-GASCZTMLSA-N 1 0 413.465 3.517 20 5 HHBDRO O=C(C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000512211894 1004112984 /nfs/dbraw/zinc/11/29/84/1004112984.db2.gz IXUJGIMKHZPNIV-QGZVFWFLSA-N 1 0 424.284 3.504 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)COc1ncccc1Br ZINC000501071243 1004174627 /nfs/dbraw/zinc/17/46/27/1004174627.db2.gz WKDNNUCIDCSFQS-UHFFFAOYSA-N 1 0 410.268 3.708 20 5 HHBDRO O=C(CC[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000501163243 1004246337 /nfs/dbraw/zinc/24/63/37/1004246337.db2.gz LWWCBMAZAVVLNG-GOSISDBHSA-N 1 0 401.438 3.744 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000510004546 1004259025 /nfs/dbraw/zinc/25/90/25/1004259025.db2.gz GDCGGUCCEFKTTP-SUMWQHHRSA-N 1 0 422.323 3.755 20 5 HHBDRO C[C@H]1C[C@@H](CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[N@@H+]1Cc1ccccc1 ZINC000512424610 1004290112 /nfs/dbraw/zinc/29/01/12/1004290112.db2.gz RUUSCZRNVZRNJS-AZUAARDMSA-N 1 0 422.529 3.963 20 5 HHBDRO COc1cccc(C2([NH2+]CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)CC2)c1 ZINC000510097514 1004321791 /nfs/dbraw/zinc/32/17/91/1004321791.db2.gz GIQMASFEBQLQEH-UHFFFAOYSA-N 1 0 420.263 3.583 20 5 HHBDRO C[C@@H]1C[C@@H](CCNC(=O)CCNc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000510112941 1004332998 /nfs/dbraw/zinc/33/29/98/1004332998.db2.gz NAUACGUJSDBEBY-UYAOXDASSA-N 1 0 410.518 3.814 20 5 HHBDRO COc1ccc(CNC(=O)C2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000512662753 1004472931 /nfs/dbraw/zinc/47/29/31/1004472931.db2.gz ACSOOWNMMVZVFL-XQRVVYSFSA-N 1 0 409.486 3.645 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000512677238 1004486191 /nfs/dbraw/zinc/48/61/91/1004486191.db2.gz HXFUCOYMAHZSGT-RTBURBONSA-N 1 0 412.534 3.845 20 5 HHBDRO COc1ccc(OCC[NH2+][C@@H]2CCOc3c(Br)cccc32)c([N+](=O)[O-])c1 ZINC000501520697 1004486129 /nfs/dbraw/zinc/48/61/29/1004486129.db2.gz LMDASQUWCHOLSK-OAHLLOKOSA-N 1 0 423.263 3.858 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000512779497 1004554878 /nfs/dbraw/zinc/55/48/78/1004554878.db2.gz RLBAYSJVEYRDND-AWEZNQCLSA-N 1 0 409.533 3.509 20 5 HHBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000510509206 1004631176 /nfs/dbraw/zinc/63/11/76/1004631176.db2.gz CUUOQDLDVGFZLC-YWZLYKJASA-N 1 0 413.474 3.501 20 5 HHBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510520977 1004647015 /nfs/dbraw/zinc/64/70/15/1004647015.db2.gz FNWCYJKHIPGUSQ-JTSKRJEESA-N 1 0 410.518 3.925 20 5 HHBDRO C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000501771997 1004710591 /nfs/dbraw/zinc/71/05/91/1004710591.db2.gz HVZQCUBNRDLLNJ-SJORKVTESA-N 1 0 407.474 3.740 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000501805126 1004746912 /nfs/dbraw/zinc/74/69/12/1004746912.db2.gz MSZFIYGIXICYRU-DLBZAZTESA-N 1 0 407.474 3.740 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3CN3CCOCC3)o2)c(Cl)c1 ZINC000510620295 1004759090 /nfs/dbraw/zinc/75/90/90/1004759090.db2.gz RRUCKFXGOJFCNZ-MRXNPFEDSA-N 1 0 405.882 3.805 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)nc2c1 ZINC000513195903 1004855466 /nfs/dbraw/zinc/85/54/66/1004855466.db2.gz JRNWNMRSEXKADK-IBGZPJMESA-N 1 0 420.391 3.981 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000513302481 1004903365 /nfs/dbraw/zinc/90/33/65/1004903365.db2.gz VXXHZHCWZNCCTB-QAPCUYQASA-N 1 0 417.893 3.796 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000510882873 1004909287 /nfs/dbraw/zinc/90/92/87/1004909287.db2.gz MZYYREYRHKDPLN-UHFFFAOYSA-N 1 0 410.518 3.752 20 5 HHBDRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000513441502 1004967678 /nfs/dbraw/zinc/96/76/78/1004967678.db2.gz BBYNAWANVGSIOJ-KRWDZBQOSA-N 1 0 418.881 3.527 20 5 HHBDRO CCOc1cc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000502285766 1004993949 /nfs/dbraw/zinc/99/39/49/1004993949.db2.gz JEWBYZNRGUCUCE-UHFFFAOYSA-N 1 0 419.522 3.775 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1OC ZINC000502289965 1004995484 /nfs/dbraw/zinc/99/54/84/1004995484.db2.gz YHYQXHZALZRSNT-UHFFFAOYSA-N 1 0 419.522 3.775 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)c1 ZINC000511087815 1005012615 /nfs/dbraw/zinc/01/26/15/1005012615.db2.gz BWAVLYNBHCKBEV-DYESRHJHSA-N 1 0 406.429 3.896 20 5 HHBDRO C[C@@H]1C[C@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000513660705 1005070626 /nfs/dbraw/zinc/07/06/26/1005070626.db2.gz JYGGBBSTUKQVSO-AGHHOFFYSA-N 1 0 405.502 3.670 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511226716 1005081469 /nfs/dbraw/zinc/08/14/69/1005081469.db2.gz CRUGDUUUWXKIHG-HOTGVXAUSA-N 1 0 421.563 3.716 20 5 HHBDRO COc1ccc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)cc1[N+](=O)[O-] ZINC000502477376 1005087383 /nfs/dbraw/zinc/08/73/83/1005087383.db2.gz LSZALVQZSGZEDW-UHFFFAOYSA-N 1 0 401.488 3.713 20 5 HHBDRO O=C(C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000502559721 1005118584 /nfs/dbraw/zinc/11/85/84/1005118584.db2.gz NTYVZXPIWMDVAB-LJQANCHMSA-N 1 0 424.284 3.832 20 5 HHBDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CSCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000513812023 1005138710 /nfs/dbraw/zinc/13/87/10/1005138710.db2.gz CGDGOFRNSJCBRV-UHFFFAOYSA-N 1 0 413.543 3.871 20 5 HHBDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513830407 1005149879 /nfs/dbraw/zinc/14/98/79/1005149879.db2.gz WMXXMIWDRVSKAL-BUKVSMQUSA-N 1 0 420.513 3.734 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000513891366 1005175480 /nfs/dbraw/zinc/17/54/80/1005175480.db2.gz FSAQKTBJCONHSP-SFHVURJKSA-N 1 0 417.428 3.669 20 5 HHBDRO Cc1c(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cccc1[N+](=O)[O-] ZINC000502702769 1005185476 /nfs/dbraw/zinc/18/54/76/1005185476.db2.gz CZVOKVCBKKGWJY-QGZVFWFLSA-N 1 0 412.490 3.925 20 5 HHBDRO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502935372 1005282300 /nfs/dbraw/zinc/28/23/00/1005282300.db2.gz MGNGOJIHQACWRI-KRWDZBQOSA-N 1 0 412.490 3.971 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000511775523 1005320598 /nfs/dbraw/zinc/32/05/98/1005320598.db2.gz HMOZODGTWNLKAB-URVUXULASA-N 1 0 409.486 3.736 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4ncc5n4CCCC5)C3)o2)cc1 ZINC000503381909 1005403703 /nfs/dbraw/zinc/40/37/03/1005403703.db2.gz GDOJAFPFPHBBHF-MRXNPFEDSA-N 1 0 408.462 3.557 20 5 HHBDRO COc1ccc(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000531084889 1005986469 /nfs/dbraw/zinc/98/64/69/1005986469.db2.gz WURFAKDUELONAI-DEOSSOPVSA-N 1 0 423.513 3.661 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000534017387 1005987324 /nfs/dbraw/zinc/98/73/24/1005987324.db2.gz HCYWYUHWPRMMAZ-AEFFLSMTSA-N 1 0 423.391 3.711 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000514821020 1006153226 /nfs/dbraw/zinc/15/32/26/1006153226.db2.gz YFTDTGNKKXTFML-ROUUACIJSA-N 1 0 410.474 3.589 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000534221295 1006217164 /nfs/dbraw/zinc/21/71/64/1006217164.db2.gz VASKFPNHCQVDCF-UHFFFAOYSA-N 1 0 402.401 3.558 20 5 HHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534228445 1006226914 /nfs/dbraw/zinc/22/69/14/1006226914.db2.gz PZVCRUCYVQLHAG-LJQANCHMSA-N 1 0 422.529 3.910 20 5 HHBDRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000531630493 1006316988 /nfs/dbraw/zinc/31/69/88/1006316988.db2.gz PKQRCTYESSSPAD-LBPRGKRZSA-N 1 0 422.279 3.718 20 5 HHBDRO CNc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000531727213 1006382389 /nfs/dbraw/zinc/38/23/89/1006382389.db2.gz SUTLMADCBJTFNF-PZJWPPBQSA-N 1 0 408.502 3.763 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531811184 1006444108 /nfs/dbraw/zinc/44/41/08/1006444108.db2.gz NVKKNGCQXZYTOX-IERDGZPVSA-N 1 0 411.502 3.755 20 5 HHBDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000531942028 1006534493 /nfs/dbraw/zinc/53/44/93/1006534493.db2.gz MVAKHADNBGCUQV-QGZVFWFLSA-N 1 0 417.531 3.716 20 5 HHBDRO COc1cc(C[N@H+](Cc2ccccc2)CC(C)(C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000538325074 1006591280 /nfs/dbraw/zinc/59/12/80/1006591280.db2.gz OGXYFPUYGHTQMY-UHFFFAOYSA-N 1 0 410.417 3.978 20 5 HHBDRO Cc1cnc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1 ZINC000534646804 1006625401 /nfs/dbraw/zinc/62/54/01/1006625401.db2.gz CECZUUUXIVRHMS-UHFFFAOYSA-N 1 0 414.469 3.878 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000538427740 1006693624 /nfs/dbraw/zinc/69/36/24/1006693624.db2.gz OUBUIRHZTGNFDD-UHFFFAOYSA-N 1 0 411.502 3.795 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000534713694 1006700782 /nfs/dbraw/zinc/70/07/82/1006700782.db2.gz HNQRNNZGXPIQKY-SFHVURJKSA-N 1 0 402.539 3.823 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2)C[C@H](C)O1 ZINC000515826424 1006703355 /nfs/dbraw/zinc/70/33/55/1006703355.db2.gz MWHQWSUDHKHFIG-IYBDPMFKSA-N 1 0 422.485 3.615 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000515841539 1006712120 /nfs/dbraw/zinc/71/21/20/1006712120.db2.gz AMCJBRVKARMVTK-HRAATJIYSA-N 1 0 412.490 3.801 20 5 HHBDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000532214215 1006726337 /nfs/dbraw/zinc/72/63/37/1006726337.db2.gz XAARTLBWSGGZOG-QGZVFWFLSA-N 1 0 419.547 3.534 20 5 HHBDRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000532225391 1006733262 /nfs/dbraw/zinc/73/32/62/1006733262.db2.gz ZXJZKUNKWGUCCA-HNNXBMFYSA-N 1 0 416.547 3.527 20 5 HHBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000532278009 1006764966 /nfs/dbraw/zinc/76/49/66/1006764966.db2.gz LUDMRRJWXYUCQM-UHFFFAOYSA-N 1 0 410.518 3.649 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)CCS4(=O)=O)s2)cc1 ZINC000532321595 1006792931 /nfs/dbraw/zinc/79/29/31/1006792931.db2.gz CSMBWGWLBPLCOP-UHFFFAOYSA-N 1 0 414.508 3.943 20 5 HHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000538590643 1006858207 /nfs/dbraw/zinc/85/82/07/1006858207.db2.gz NXGWYGMKACPPTQ-QGZVFWFLSA-N 1 0 409.552 3.574 20 5 HHBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000534870528 1006897937 /nfs/dbraw/zinc/89/79/37/1006897937.db2.gz PHOXSIVPWXSAON-UHFFFAOYSA-N 1 0 406.280 3.578 20 5 HHBDRO COc1cccc(C[C@H]2CCC[N@@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000532484210 1006924150 /nfs/dbraw/zinc/92/41/50/1006924150.db2.gz WSHJXZCPLRQCSR-QGZVFWFLSA-N 1 0 411.458 3.609 20 5 HHBDRO CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000532533337 1006967881 /nfs/dbraw/zinc/96/78/81/1006967881.db2.gz MDINRSMUUDBHCB-XMSQKQJNSA-N 1 0 410.518 3.715 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000532537925 1006973319 /nfs/dbraw/zinc/97/33/19/1006973319.db2.gz XJDKMPTWOJDFQU-GOSISDBHSA-N 1 0 418.538 3.520 20 5 HHBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000538696837 1006975482 /nfs/dbraw/zinc/97/54/82/1006975482.db2.gz UBEPFLMZZVWSKZ-UHFFFAOYSA-N 1 0 414.550 3.582 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000538726437 1007004510 /nfs/dbraw/zinc/00/45/10/1007004510.db2.gz RSWDFLGWMXNWOZ-LPHOPBHVSA-N 1 0 400.475 3.918 20 5 HHBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(-c3ccc(OC)cc3[N+](=O)[O-])o1)CC2 ZINC000538727579 1007005889 /nfs/dbraw/zinc/00/58/89/1007005889.db2.gz CQARESQERGLPIT-QGZVFWFLSA-N 1 0 400.431 3.639 20 5 HHBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000538729644 1007009284 /nfs/dbraw/zinc/00/92/84/1007009284.db2.gz HKTVNEDNSOKZMU-HNNXBMFYSA-N 1 0 403.866 3.999 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000532583173 1007018628 /nfs/dbraw/zinc/01/86/28/1007018628.db2.gz SLXFGKLDMGKTDJ-UHFFFAOYSA-N 1 0 411.502 3.956 20 5 HHBDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000538736139 1007019331 /nfs/dbraw/zinc/01/93/31/1007019331.db2.gz BZXFSYJZJKULHG-QGZVFWFLSA-N 1 0 410.453 3.618 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cc2)C[C@H](C)O1 ZINC000534984282 1007043051 /nfs/dbraw/zinc/04/30/51/1007043051.db2.gz DGQNAUSYSKAGQR-IYBDPMFKSA-N 1 0 422.485 3.615 20 5 HHBDRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000532663526 1007080491 /nfs/dbraw/zinc/08/04/91/1007080491.db2.gz DUCMOTGBEFSHRU-UHFFFAOYSA-N 1 0 404.264 3.965 20 5 HHBDRO COC[C@H]([NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000532737657 1007147640 /nfs/dbraw/zinc/14/76/40/1007147640.db2.gz VMHMWFMLRNNLDL-OALUTQOASA-N 1 0 403.866 3.943 20 5 HHBDRO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000532763030 1007167309 /nfs/dbraw/zinc/16/73/09/1007167309.db2.gz ANPDHKQEGFVNLA-IEBWSBKVSA-N 1 0 407.470 3.724 20 5 HHBDRO O=[N+]([O-])c1ccc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)cc1OC(F)F ZINC000538937118 1007220967 /nfs/dbraw/zinc/22/09/67/1007220967.db2.gz LIHWXWAODRTNBK-JTQLQIEISA-N 1 0 411.434 3.741 20 5 HHBDRO COc1ccc(C[NH2+]Cc2cccc(N(C)C)n2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000532859414 1007248266 /nfs/dbraw/zinc/24/82/66/1007248266.db2.gz HJOGXDAECHYWRU-UHFFFAOYSA-N 1 0 422.485 3.933 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000532897032 1007275186 /nfs/dbraw/zinc/27/51/86/1007275186.db2.gz ZWBAWDBHXZDQCS-UHFFFAOYSA-N 1 0 412.490 3.664 20 5 HHBDRO COc1ccccc1C[C@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000532935375 1007308006 /nfs/dbraw/zinc/30/80/06/1007308006.db2.gz GLRXLQYZBTXEQK-QGZVFWFLSA-N 1 0 411.458 3.609 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000532976298 1007346472 /nfs/dbraw/zinc/34/64/72/1007346472.db2.gz DLBUXOLKNCSNRL-GOEBONIOSA-N 1 0 401.438 3.949 20 5 HHBDRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000535303468 1007355259 /nfs/dbraw/zinc/35/52/59/1007355259.db2.gz NSRVJXCNUALAJC-UHFFFAOYSA-N 1 0 412.490 3.906 20 5 HHBDRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000539069239 1007361633 /nfs/dbraw/zinc/36/16/33/1007361633.db2.gz SQAHIFHRPFTMDQ-OAHLLOKOSA-N 1 0 405.882 3.654 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000539075578 1007365669 /nfs/dbraw/zinc/36/56/69/1007365669.db2.gz IIZCOBPXRHUUPK-PZJWPPBQSA-N 1 0 401.551 3.931 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000517099788 1007410952 /nfs/dbraw/zinc/41/09/52/1007410952.db2.gz CTWWIZXENCLNAU-FQEVSTJZSA-N 1 0 416.909 3.930 20 5 HHBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)C1 ZINC000535405864 1007474147 /nfs/dbraw/zinc/47/41/47/1007474147.db2.gz OKHPSRGRVVODTD-INIZCTEOSA-N 1 0 422.485 3.978 20 5 HHBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cccnc2)cc1 ZINC000539226116 1007518671 /nfs/dbraw/zinc/51/86/71/1007518671.db2.gz RSICIDLRLOSWDB-KRWDZBQOSA-N 1 0 420.469 3.882 20 5 HHBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000533194353 1007529906 /nfs/dbraw/zinc/52/99/06/1007529906.db2.gz RRXCZPFZXPBOGJ-CTNGQTDRSA-N 1 0 408.502 3.763 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000539243670 1007537526 /nfs/dbraw/zinc/53/75/26/1007537526.db2.gz POOUHKJOUPAVBE-INIZCTEOSA-N 1 0 405.520 3.785 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000539279998 1007576302 /nfs/dbraw/zinc/57/63/02/1007576302.db2.gz NMUCQIDYCGMZAR-SNVBAGLBSA-N 1 0 407.352 3.779 20 5 HHBDRO COc1ccc(NC(=O)CCN2CCC[C@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000533271750 1007586245 /nfs/dbraw/zinc/58/62/45/1007586245.db2.gz UQAWOBVJNUPACO-GOSISDBHSA-N 1 0 418.538 3.520 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000533288969 1007601182 /nfs/dbraw/zinc/60/11/82/1007601182.db2.gz LRCNEMNYXPSWEY-KRWDZBQOSA-N 1 0 413.449 3.966 20 5 HHBDRO O=C(C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000539328516 1007628073 /nfs/dbraw/zinc/62/80/73/1007628073.db2.gz UIMAFOIFGCNONF-KBXCAEBGSA-N 1 0 403.866 3.944 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000539331244 1007631175 /nfs/dbraw/zinc/63/11/75/1007631175.db2.gz LUBGCDRJMSIGCP-QFBILLFUSA-N 1 0 411.458 3.650 20 5 HHBDRO COc1cc(OC)c(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000539378822 1007682895 /nfs/dbraw/zinc/68/28/95/1007682895.db2.gz IVEUTUCOGOZZRD-LBPRGKRZSA-N 1 0 407.854 3.863 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000539382671 1007687719 /nfs/dbraw/zinc/68/77/19/1007687719.db2.gz QDOXGPYRDJWTEX-CJNGLKHVSA-N 1 0 409.280 3.756 20 5 HHBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1N1CCOCC1 ZINC000533423399 1007730767 /nfs/dbraw/zinc/73/07/67/1007730767.db2.gz JYKBCIQBTIXMQQ-UHFFFAOYSA-N 1 0 422.485 3.761 20 5 HHBDRO Cc1c(NC(=O)CCN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000533429688 1007740955 /nfs/dbraw/zinc/74/09/55/1007740955.db2.gz GJHKLOANEMNJCP-GOSISDBHSA-N 1 0 410.518 3.828 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CN(Cc4ccccc4)CCO3)o2)cc1 ZINC000517540003 1007754998 /nfs/dbraw/zinc/75/49/98/1007754998.db2.gz RXABCRQWCMOPII-QFIPXVFZSA-N 1 0 407.470 3.845 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CN(Cc4ccccc4)CCO3)o2)cc1 ZINC000517540001 1007755483 /nfs/dbraw/zinc/75/54/83/1007755483.db2.gz RXABCRQWCMOPII-JOCHJYFZSA-N 1 0 407.470 3.845 20 5 HHBDRO CCOc1cc(C[NH+]2C3CCC2CC3)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000535783024 1007790674 /nfs/dbraw/zinc/79/06/74/1007790674.db2.gz CVJBWDBMWDGSFG-UHFFFAOYSA-N 1 0 400.479 3.704 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000539514263 1007824825 /nfs/dbraw/zinc/82/48/25/1007824825.db2.gz BQTLJKWNGQBNEX-LJQANCHMSA-N 1 0 403.523 3.787 20 5 HHBDRO Cn1cc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539514175 1007825199 /nfs/dbraw/zinc/82/51/99/1007825199.db2.gz JWARVKHQZNVSBF-UHFFFAOYSA-N 1 0 421.379 3.578 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](CO)CC(F)(F)F)cc1 ZINC000539520325 1007830243 /nfs/dbraw/zinc/83/02/43/1007830243.db2.gz AKVHSKQIEUNTMR-INIZCTEOSA-N 1 0 420.391 3.850 20 5 HHBDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CN1 ZINC000535840886 1007851418 /nfs/dbraw/zinc/85/14/18/1007851418.db2.gz IDUFPFVCZAUIFI-UGSOOPFHSA-N 1 0 403.866 3.999 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000517668639 1007882441 /nfs/dbraw/zinc/88/24/41/1007882441.db2.gz UJKVDNIDAWPBPN-CQSZACIVSA-N 1 0 402.882 3.542 20 5 HHBDRO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000533649339 1007959916 /nfs/dbraw/zinc/95/99/16/1007959916.db2.gz MLLRLOWYSXNEDN-MOPGFXCFSA-N 1 0 422.957 3.657 20 5 HHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000539686986 1008006954 /nfs/dbraw/zinc/00/69/54/1008006954.db2.gz PXGZABWASBTOEG-ATZDWAIDSA-N 1 0 421.563 3.811 20 5 HHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000517901359 1008046405 /nfs/dbraw/zinc/04/64/05/1008046405.db2.gz ZLMQLMXGULAQQK-QZTJIDSGSA-N 1 0 405.539 3.703 20 5 HHBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Oc1ccc(F)cc1 ZINC000539823080 1008117200 /nfs/dbraw/zinc/11/72/00/1008117200.db2.gz PCKDIHLSNFLJON-GOSISDBHSA-N 1 0 415.465 3.680 20 5 HHBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000536095490 1008118446 /nfs/dbraw/zinc/11/84/46/1008118446.db2.gz MWYOUVQEGBMERI-NRFANRHFSA-N 1 0 424.501 3.745 20 5 HHBDRO COc1cc(C[N@@H+](C)C2CCC(OC)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539833302 1008126885 /nfs/dbraw/zinc/12/68/85/1008126885.db2.gz QGIRPLIGFOAZGD-UHFFFAOYSA-N 1 0 406.401 3.934 20 5 HHBDRO CCCCOc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC ZINC000539838867 1008130706 /nfs/dbraw/zinc/13/07/06/1008130706.db2.gz ZXFKITIIPYMKQI-QGZVFWFLSA-N 1 0 400.479 3.864 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539898214 1008171379 /nfs/dbraw/zinc/17/13/79/1008171379.db2.gz NGLZCXZDJVNZQE-ZIAGYGMSSA-N 1 0 418.412 3.793 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000539923767 1008186449 /nfs/dbraw/zinc/18/64/49/1008186449.db2.gz CPZAUJWJXDRKCZ-ICSRJNTNSA-N 1 0 408.502 3.853 20 5 HHBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000539992646 1008224208 /nfs/dbraw/zinc/22/42/08/1008224208.db2.gz XZAFWWPVLZBHAV-UHFFFAOYSA-N 1 0 411.506 3.557 20 5 HHBDRO Cc1c(NC(=O)CC[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cccc1[N+](=O)[O-] ZINC000540045196 1008254551 /nfs/dbraw/zinc/25/45/51/1008254551.db2.gz IUCUDIYMWWATEV-UHFFFAOYSA-N 1 0 423.469 3.792 20 5 HHBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000540153136 1008313685 /nfs/dbraw/zinc/31/36/85/1008313685.db2.gz HMMBFINPIOFKNC-PDSXEYIOSA-N 1 0 401.463 3.686 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000540181763 1008325806 /nfs/dbraw/zinc/32/58/06/1008325806.db2.gz YZAGHMUKLRJUBM-CYBMUJFWSA-N 1 0 417.416 3.889 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1OCC ZINC000540368254 1008402782 /nfs/dbraw/zinc/40/27/82/1008402782.db2.gz OJAVTSYKGVWYTA-HNNXBMFYSA-N 1 0 413.474 3.632 20 5 HHBDRO COCCSc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000518789814 1008421530 /nfs/dbraw/zinc/42/15/30/1008421530.db2.gz DVGGQTLQDZJNDE-QRWLVFNGSA-N 1 0 415.515 3.789 20 5 HHBDRO CCOC(=O)c1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000540475693 1008446566 /nfs/dbraw/zinc/44/65/66/1008446566.db2.gz BFPKBVBEFGVGMQ-ZDUSSCGKSA-N 1 0 405.476 3.739 20 5 HHBDRO COc1ccc(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000542964654 1008537280 /nfs/dbraw/zinc/53/72/80/1008537280.db2.gz KVSXFNWGVBYKTC-JIPZTSHUSA-N 1 0 412.490 3.882 20 5 HHBDRO Cc1cc(C(=O)NCC(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000543009235 1008586926 /nfs/dbraw/zinc/58/69/26/1008586926.db2.gz DUKFXZPPYOUBQO-UHFFFAOYSA-N 1 0 424.501 3.504 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000543022417 1008602079 /nfs/dbraw/zinc/60/20/79/1008602079.db2.gz IJJWPJWJGXTEMF-UHFFFAOYSA-N 1 0 413.522 3.755 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000543022588 1008602728 /nfs/dbraw/zinc/60/27/28/1008602728.db2.gz ASOOQCHUKJJWHY-UHFFFAOYSA-N 1 0 400.523 3.910 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000549199014 1008772229 /nfs/dbraw/zinc/77/22/29/1008772229.db2.gz DTCYRKSWWZMOTH-JOCHJYFZSA-N 1 0 411.502 3.806 20 5 HHBDRO CC[NH+]1CCN(c2ccc(-c3noc(C(C)(C)c4ccc([N+](=O)[O-])cc4)n3)cn2)CC1 ZINC000545687024 1008779905 /nfs/dbraw/zinc/77/99/05/1008779905.db2.gz VOXRHXNAGAAQAO-UHFFFAOYSA-N 1 0 422.489 3.508 20 5 HHBDRO COc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000519506629 1008879308 /nfs/dbraw/zinc/87/93/08/1008879308.db2.gz WPNQAOSYNNSOMQ-UHFFFAOYSA-N 1 0 420.897 3.530 20 5 HHBDRO C[N@@H+]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000543312728 1008892441 /nfs/dbraw/zinc/89/24/41/1008892441.db2.gz KUAHZZHRAKELRG-CVEARBPZSA-N 1 0 405.907 3.554 20 5 HHBDRO CCc1ccc([C@@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543399929 1008991623 /nfs/dbraw/zinc/99/16/23/1008991623.db2.gz PXDRLCPWMDTQCH-HXOBKFHXSA-N 1 0 413.518 3.930 20 5 HHBDRO C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000519844505 1009027476 /nfs/dbraw/zinc/02/74/76/1009027476.db2.gz XHDWINMHGXUSPT-HOYKHHGWSA-N 1 0 403.482 3.835 20 5 HHBDRO COc1cc(Br)ccc1CCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000543479033 1009068289 /nfs/dbraw/zinc/06/82/89/1009068289.db2.gz NQECXAZKMLFIEU-UHFFFAOYSA-N 1 0 406.280 3.752 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000543594835 1009199999 /nfs/dbraw/zinc/19/99/99/1009199999.db2.gz PKGOXRVKAIILJV-INIZCTEOSA-N 1 0 412.920 3.849 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543595298 1009201267 /nfs/dbraw/zinc/20/12/67/1009201267.db2.gz MMKJEJQWMUQXDL-DJKXOVBDSA-N 1 0 401.438 3.961 20 5 HHBDRO C[C@@H](CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000520063027 1009225501 /nfs/dbraw/zinc/22/55/01/1009225501.db2.gz WAQDXNVBBACQCH-SFHVURJKSA-N 1 0 402.539 3.681 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc1[N+](=O)[O-] ZINC000543638686 1009242652 /nfs/dbraw/zinc/24/26/52/1009242652.db2.gz DTOSIAMVTLWBKP-UHFFFAOYSA-N 1 0 416.481 3.938 20 5 HHBDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000543642775 1009246909 /nfs/dbraw/zinc/24/69/09/1009246909.db2.gz ZMAKXFWMDCQHNG-UHFFFAOYSA-N 1 0 413.453 3.910 20 5 HHBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546225906 1009252813 /nfs/dbraw/zinc/25/28/13/1009252813.db2.gz RRZGREYMHUKMER-FQEVSTJZSA-N 1 0 410.518 3.828 20 5 HHBDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000520208440 1009343403 /nfs/dbraw/zinc/34/34/03/1009343403.db2.gz XRWZQNJFZAZLIT-GFCCVEGCSA-N 1 0 405.252 3.992 20 5 HHBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549718031 1009345794 /nfs/dbraw/zinc/34/57/94/1009345794.db2.gz QRDBPSMZIVWKDN-IBGZPJMESA-N 1 0 408.376 3.930 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1 ZINC000520228045 1009352666 /nfs/dbraw/zinc/35/26/66/1009352666.db2.gz QJIAHWHBBVFSON-INIZCTEOSA-N 1 0 420.473 3.802 20 5 HHBDRO CC[NH+]1CCN(c2ccc(-c3noc(/C=C(/C)c4ccc([N+](=O)[O-])cc4)n3)cn2)CC1 ZINC000546396200 1009406975 /nfs/dbraw/zinc/40/69/75/1009406975.db2.gz ZJVJNYGZEZGQLP-PEZBUJJGSA-N 1 0 420.473 3.742 20 5 HHBDRO COc1ccc(OCC[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)c([N+](=O)[O-])c1 ZINC000549827957 1009437525 /nfs/dbraw/zinc/43/75/25/1009437525.db2.gz GFPVNOMGMVBMMY-CQSZACIVSA-N 1 0 400.410 3.658 20 5 HHBDRO C[C@](O)(C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1)C(F)(F)F ZINC000546638751 1009645531 /nfs/dbraw/zinc/64/55/31/1009645531.db2.gz KAMHRDOJYWBPRW-SFHVURJKSA-N 1 0 413.396 3.818 20 5 HHBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000544055838 1009659575 /nfs/dbraw/zinc/65/95/75/1009659575.db2.gz HERDDQRUINMQDX-UHFFFAOYSA-N 1 0 420.922 3.768 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000544128533 1009737782 /nfs/dbraw/zinc/73/77/82/1009737782.db2.gz UJNSYEBLJROIHR-INIZCTEOSA-N 1 0 412.490 3.628 20 5 HHBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000544272691 1009888521 /nfs/dbraw/zinc/88/85/21/1009888521.db2.gz JSIVEHFWPRWAMI-CZUORRHYSA-N 1 0 409.939 3.816 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000544369024 1009996748 /nfs/dbraw/zinc/99/67/48/1009996748.db2.gz WFVXIXBGTQGSAG-GFCCVEGCSA-N 1 0 422.279 3.873 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]CC(C)(C)N3C[C@@H](C)O[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000520954969 1010003754 /nfs/dbraw/zinc/00/37/54/1010003754.db2.gz WNDHGOVCYQQKTO-HZPDHXFCSA-N 1 0 417.506 3.841 20 5 HHBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544403066 1010023647 /nfs/dbraw/zinc/02/36/47/1010023647.db2.gz ZRGSDIULIXBJCE-OAHLLOKOSA-N 1 0 400.454 3.536 20 5 HHBDRO Cc1c(Br)c(NC2CC[NH+](Cc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000544410189 1010029953 /nfs/dbraw/zinc/02/99/53/1010029953.db2.gz FLHHOEGFQGWILL-UHFFFAOYSA-N 1 0 406.284 3.532 20 5 HHBDRO NC(=O)c1ccc(NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000521012388 1010048964 /nfs/dbraw/zinc/04/89/64/1010048964.db2.gz FUGYTPDXMROCLS-KRWDZBQOSA-N 1 0 402.882 3.814 20 5 HHBDRO COc1ccc(NC(=O)[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000521013733 1010050421 /nfs/dbraw/zinc/05/04/21/1010050421.db2.gz VWFKABDBVMKLRP-JOCHJYFZSA-N 1 0 421.453 3.952 20 5 HHBDRO C[C@H](c1nc(-c2ccccc2OCC[NH+](C)C)no1)c1ccc([N+](=O)[O-])cc1F ZINC000547100899 1010051280 /nfs/dbraw/zinc/05/12/80/1010051280.db2.gz DOMJTXQLNNNNFI-ZDUSSCGKSA-N 1 0 400.410 3.876 20 5 HHBDRO CCCc1n[nH]c(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000521034948 1010066018 /nfs/dbraw/zinc/06/60/18/1010066018.db2.gz APCVLNYEMXINPG-HOTGVXAUSA-N 1 0 413.522 3.678 20 5 HHBDRO CCCc1n[nH]c(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000521034949 1010066320 /nfs/dbraw/zinc/06/63/20/1010066320.db2.gz APCVLNYEMXINPG-HZPDHXFCSA-N 1 0 413.522 3.678 20 5 HHBDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000544442437 1010066480 /nfs/dbraw/zinc/06/64/80/1010066480.db2.gz QPCKFAIFZQZCBP-SFHVURJKSA-N 1 0 401.438 3.889 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000544444310 1010067823 /nfs/dbraw/zinc/06/78/23/1010067823.db2.gz BSOHZBCUBBEFLF-GOSISDBHSA-N 1 0 403.454 3.928 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000544444311 1010068077 /nfs/dbraw/zinc/06/80/77/1010068077.db2.gz BSOHZBCUBBEFLF-SFHVURJKSA-N 1 0 403.454 3.928 20 5 HHBDRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000544462776 1010086264 /nfs/dbraw/zinc/08/62/64/1010086264.db2.gz BTIQPQBMYMNTEN-INIZCTEOSA-N 1 0 415.465 3.581 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000550699158 1010110686 /nfs/dbraw/zinc/11/06/86/1010110686.db2.gz OUTNEJFJPXKPJA-MSOLQXFVSA-N 1 0 418.291 3.841 20 5 HHBDRO COc1cccc([C@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)c1 ZINC000544532949 1010162627 /nfs/dbraw/zinc/16/26/27/1010162627.db2.gz TZCVUSZGKXERKL-VFNWGFHPSA-N 1 0 415.465 3.799 20 5 HHBDRO CSc1ccc([C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000550940132 1010268551 /nfs/dbraw/zinc/26/85/51/1010268551.db2.gz XMOLNUSLHHSJIY-FOIQADDNSA-N 1 0 416.547 3.926 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)c1 ZINC000544656472 1010278088 /nfs/dbraw/zinc/27/80/88/1010278088.db2.gz POJQLMUQOXEBOZ-UHFFFAOYSA-N 1 0 403.504 3.503 20 5 HHBDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000544677277 1010292491 /nfs/dbraw/zinc/29/24/91/1010292491.db2.gz CFYPVHVRKRXYMK-SFHVURJKSA-N 1 0 404.442 3.565 20 5 HHBDRO CC[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000544767544 1010366021 /nfs/dbraw/zinc/36/60/21/1010366021.db2.gz SWBOIRDHLMGWLZ-QGZVFWFLSA-N 1 0 420.469 3.585 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000521501072 1010415715 /nfs/dbraw/zinc/41/57/15/1010415715.db2.gz XGNXUAYIKHDBHF-BBRMVZONSA-N 1 0 409.870 3.808 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000551230346 1010452835 /nfs/dbraw/zinc/45/28/35/1010452835.db2.gz XTUDACBEOWYXOQ-LAUBAEHRSA-N 1 0 401.507 3.610 20 5 HHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000521569450 1010470017 /nfs/dbraw/zinc/47/00/17/1010470017.db2.gz OTUSETTYDLINDU-HNNXBMFYSA-N 1 0 405.495 3.805 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000548054800 1010515258 /nfs/dbraw/zinc/51/52/58/1010515258.db2.gz NWVIHDPZPPAOCM-ZDUSSCGKSA-N 1 0 406.280 3.907 20 5 HHBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000521690097 1010554038 /nfs/dbraw/zinc/55/40/38/1010554038.db2.gz PPQWQGLQFWQVME-HXUWFJFHSA-N 1 0 408.502 3.907 20 5 HHBDRO C[NH+](C)Cc1cc(-c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)ccc1F ZINC000545022895 1010563943 /nfs/dbraw/zinc/56/39/43/1010563943.db2.gz BBTSWUDAOBIYCU-UHFFFAOYSA-N 1 0 408.393 3.698 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000548395122 1010612342 /nfs/dbraw/zinc/61/23/42/1010612342.db2.gz OXMGSNRMUWHDCW-CYBMUJFWSA-N 1 0 406.280 3.907 20 5 HHBDRO C[C@@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000521779993 1010613396 /nfs/dbraw/zinc/61/33/96/1010613396.db2.gz MVAIJJJLFIIHGQ-QGZVFWFLSA-N 1 0 418.538 3.769 20 5 HHBDRO Cc1cc(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)cc([N+](=O)[O-])c1 ZINC000521789200 1010619939 /nfs/dbraw/zinc/61/99/39/1010619939.db2.gz CIIYUBAXLDJJLP-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[C@@]12CCCO2 ZINC000545353515 1010745902 /nfs/dbraw/zinc/74/59/02/1010745902.db2.gz NLSUVAXNTFZAAJ-NJYVYQBISA-N 1 0 402.447 3.680 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)[C@H](C)C1 ZINC000522433271 1011008269 /nfs/dbraw/zinc/00/82/69/1011008269.db2.gz QLMDDRGRAKEPSV-NQIIRXRSSA-N 1 0 420.554 3.652 20 5 HHBDRO Cc1cc(S(=O)(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000522439281 1011013382 /nfs/dbraw/zinc/01/33/82/1011013382.db2.gz NJAWEFOTCZZPMG-UHFFFAOYSA-N 1 0 403.504 3.732 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000522641055 1011130435 /nfs/dbraw/zinc/13/04/35/1011130435.db2.gz MRIQCYIWMOJOJH-UXLLHSPISA-N 1 0 409.914 3.881 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522731762 1011182598 /nfs/dbraw/zinc/18/25/98/1011182598.db2.gz FMBGJNZWBAPETG-GUYCJALGSA-N 1 0 410.396 3.755 20 5 HHBDRO Cn1cc(C[NH2+][C@H]2CCCN(c3ccccc3F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540619427 1011271171 /nfs/dbraw/zinc/27/11/71/1011271171.db2.gz CSHKNUUHNDKXEY-SFHVURJKSA-N 1 0 409.465 3.893 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000540622128 1011272452 /nfs/dbraw/zinc/27/24/52/1011272452.db2.gz NDVKQNISFULAGU-ICSRJNTNSA-N 1 0 411.502 3.699 20 5 HHBDRO O=C(C[N@@H+]1CCC[C@@H]1C1CCOCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000540826293 1011489963 /nfs/dbraw/zinc/48/99/63/1011489963.db2.gz CGVCHDGLXKQEKJ-GOSISDBHSA-N 1 0 416.503 3.548 20 5 HHBDRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000540961718 1011603148 /nfs/dbraw/zinc/60/31/48/1011603148.db2.gz GEJFMCZYSMEKLX-LPHOPBHVSA-N 1 0 400.475 3.775 20 5 HHBDRO COc1cc(CNc2cccc(N(C)C)[nH+]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000541015024 1011649462 /nfs/dbraw/zinc/64/94/62/1011649462.db2.gz OACPBQVXYVTCDV-UHFFFAOYSA-N 1 0 400.357 3.618 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000541025919 1011661230 /nfs/dbraw/zinc/66/12/30/1011661230.db2.gz FNPZGCVDXKYKKK-HNNXBMFYSA-N 1 0 409.389 3.665 20 5 HHBDRO COc1cc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ccc1[N+](=O)[O-] ZINC000536477143 1011693020 /nfs/dbraw/zinc/69/30/20/1011693020.db2.gz VMHKUYLYWBFANJ-UHFFFAOYSA-N 1 0 409.486 3.732 20 5 HHBDRO COc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000541097562 1011743356 /nfs/dbraw/zinc/74/33/56/1011743356.db2.gz AAXCHPAPZYTXSB-YQQQUEKLSA-N 1 0 410.474 3.921 20 5 HHBDRO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000536653316 1011801941 /nfs/dbraw/zinc/80/19/41/1011801941.db2.gz IMHYJDFOOFEMLD-OAQYLSRUSA-N 1 0 411.502 3.853 20 5 HHBDRO COc1cc(CN2CCC[N@@H+](C(C)(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000536653948 1011802367 /nfs/dbraw/zinc/80/23/67/1011802367.db2.gz YFOHGQOBSITOFA-UHFFFAOYSA-N 1 0 419.444 3.851 20 5 HHBDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OCC ZINC000536680961 1011844748 /nfs/dbraw/zinc/84/47/48/1011844748.db2.gz KITTZSAHXRZJHY-QGZVFWFLSA-N 1 0 400.479 3.864 20 5 HHBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000552007820 1012046034 /nfs/dbraw/zinc/04/60/34/1012046034.db2.gz NEENDNKTVWJITE-UHFFFAOYSA-N 1 0 401.426 3.587 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)CS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000536825987 1012054545 /nfs/dbraw/zinc/05/45/45/1012054545.db2.gz KKDFHNGENWBBRE-RDJZCZTQSA-N 1 0 406.504 3.897 20 5 HHBDRO Cn1ccnc1[C@@H](NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000552045935 1012065431 /nfs/dbraw/zinc/06/54/31/1012065431.db2.gz TYDHPEAAMKWFDD-PMACEKPBSA-N 1 0 413.909 3.964 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000536845279 1012074545 /nfs/dbraw/zinc/07/45/45/1012074545.db2.gz LVOQYVVMDNOSRR-LLVKDONJSA-N 1 0 413.261 3.682 20 5 HHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000536867415 1012104882 /nfs/dbraw/zinc/10/48/82/1012104882.db2.gz CECCRGLNPRSMCB-AWEZNQCLSA-N 1 0 420.307 3.698 20 5 HHBDRO Cn1ccnc1[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552266282 1012276787 /nfs/dbraw/zinc/27/67/87/1012276787.db2.gz FMBPAANMAXADIH-SIKLNZKXSA-N 1 0 405.502 3.529 20 5 HHBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1ccccc1S(N)(=O)=O ZINC000552312216 1012322737 /nfs/dbraw/zinc/32/27/37/1012322737.db2.gz XNAPMWOUVQBYIJ-UHFFFAOYSA-N 1 0 417.512 3.603 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)o2)c(Br)c1 ZINC000541553511 1012341221 /nfs/dbraw/zinc/34/12/21/1012341221.db2.gz HSBKZSVRTJAVEQ-XNJJOIOASA-N 1 0 407.264 3.820 20 5 HHBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000552334356 1012343742 /nfs/dbraw/zinc/34/37/42/1012343742.db2.gz IBVZVGPRUKCTJJ-UKRRQHHQSA-N 1 0 414.428 3.501 20 5 HHBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000552334421 1012345574 /nfs/dbraw/zinc/34/55/74/1012345574.db2.gz KLHYDRAZWSJMKF-DEOSSOPVSA-N 1 0 420.513 3.907 20 5 HHBDRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000552339698 1012351541 /nfs/dbraw/zinc/35/15/41/1012351541.db2.gz DMMBORXVMCBBNU-SFHVURJKSA-N 1 0 416.909 3.792 20 5 HHBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000537061181 1012396974 /nfs/dbraw/zinc/39/69/74/1012396974.db2.gz GQWUSNWFCCZDAC-UGSOOPFHSA-N 1 0 423.391 3.992 20 5 HHBDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000541623795 1012434392 /nfs/dbraw/zinc/43/43/92/1012434392.db2.gz XCYJJMHJCPBLIC-ZDUSSCGKSA-N 1 0 409.408 3.706 20 5 HHBDRO COc1cc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000552488835 1012514133 /nfs/dbraw/zinc/51/41/33/1012514133.db2.gz MIWMTRHCKDRXDV-FXAWDEMLSA-N 1 0 400.475 3.775 20 5 HHBDRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000537142556 1012533990 /nfs/dbraw/zinc/53/39/90/1012533990.db2.gz RVMOZNXPJIIBKP-UHFFFAOYSA-N 1 0 417.893 3.695 20 5 HHBDRO C[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541692921 1012538017 /nfs/dbraw/zinc/53/80/17/1012538017.db2.gz VLNDHSPDVNSWMS-CQSZACIVSA-N 1 0 405.495 3.927 20 5 HHBDRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000537169692 1012573540 /nfs/dbraw/zinc/57/35/40/1012573540.db2.gz WQISXVQBBKKIFW-UHFFFAOYSA-N 1 0 417.893 3.695 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000523978120 1012724894 /nfs/dbraw/zinc/72/48/94/1012724894.db2.gz ZUMWXPWTBHFDSY-IYBDPMFKSA-N 1 0 411.930 3.891 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000523978118 1012724937 /nfs/dbraw/zinc/72/49/37/1012724937.db2.gz ZUMWXPWTBHFDSY-HOTGVXAUSA-N 1 0 411.930 3.891 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000537323354 1012781164 /nfs/dbraw/zinc/78/11/64/1012781164.db2.gz UZBCBPAOWMGLJC-UHFFFAOYSA-N 1 0 415.446 3.825 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541927155 1012787637 /nfs/dbraw/zinc/78/76/37/1012787637.db2.gz BOLAFRALWXIHDB-WMLDXEAASA-N 1 0 419.428 3.837 20 5 HHBDRO O=C(NCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000904441095 1071766897 /nfs/dbraw/zinc/76/68/97/1071766897.db2.gz ZURNYMVXGAFMBV-UHFFFAOYSA-N 1 0 421.457 3.561 20 5 HHBDRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000586795352 1072444636 /nfs/dbraw/zinc/44/46/36/1072444636.db2.gz XMIWVJPYDPWOEZ-SFHVURJKSA-N 1 0 402.882 3.848 20 5 HHBDRO Cn1cc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000760645872 1072457266 /nfs/dbraw/zinc/45/72/66/1072457266.db2.gz GWNPYSXNCDJPHD-UHFFFAOYSA-N 1 0 406.486 3.915 20 5 HHBDRO CCN1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000571227942 1072587777 /nfs/dbraw/zinc/58/77/77/1072587777.db2.gz JLVBGZMGEKIFLW-OXQOHEQNSA-N 1 0 419.407 3.814 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1[N+](=O)[O-] ZINC000538799335 1072674761 /nfs/dbraw/zinc/67/47/61/1072674761.db2.gz ZMYXHSKOROVYFY-IBGZPJMESA-N 1 0 406.490 3.866 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000588008687 1072743234 /nfs/dbraw/zinc/74/32/34/1072743234.db2.gz DAHNCAITCAOSOK-SGTLLEGYSA-N 1 0 408.861 3.567 20 5 HHBDRO CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000555182827 1073225596 /nfs/dbraw/zinc/22/55/96/1073225596.db2.gz WCVGHNGVOFLLLC-OAQYLSRUSA-N 1 0 418.501 3.575 20 5 HHBDRO Cn1cc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000588928714 1073346974 /nfs/dbraw/zinc/34/69/74/1073346974.db2.gz LJISAWANBMWBQL-QGZVFWFLSA-N 1 0 400.866 3.514 20 5 HHBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000589952684 1073396642 /nfs/dbraw/zinc/39/66/42/1073396642.db2.gz MHMSEFHBQRKSIE-LJQANCHMSA-N 1 0 403.526 3.632 20 5 HHBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3ccc(C(F)F)cc3[N+](=O)[O-])c2)C1 ZINC000589111959 1073439432 /nfs/dbraw/zinc/43/94/32/1073439432.db2.gz SGTRYHVAVJQPJJ-QGZVFWFLSA-N 1 0 418.444 3.842 20 5 HHBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(Br)c1 ZINC000590192912 1073639333 /nfs/dbraw/zinc/63/93/33/1073639333.db2.gz IWTOOMXDTHTYIW-BXUZGUMPSA-N 1 0 413.243 3.587 20 5 HHBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)c(Br)c1 ZINC000590194977 1073644190 /nfs/dbraw/zinc/64/41/90/1073644190.db2.gz OSWLPAGGFZMCAP-DIFFPNOSSA-N 1 0 422.254 3.953 20 5 HHBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590445873 1073838738 /nfs/dbraw/zinc/83/87/38/1073838738.db2.gz SOEIKQVMCJUHDW-OXQOHEQNSA-N 1 0 414.893 3.636 20 5 HHBDRO COC(=O)c1c(Cl)c(NC[C@H](c2cccc(OC)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000590570090 1073920375 /nfs/dbraw/zinc/92/03/75/1073920375.db2.gz USFFRHGLAFKHMT-MRXNPFEDSA-N 1 0 407.854 3.758 20 5 HHBDRO COC(=O)c1c(Cl)c(N2CCC[N@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000590571503 1073922153 /nfs/dbraw/zinc/92/21/53/1073922153.db2.gz CUBDMOBMHGAKFN-UHFFFAOYSA-N 1 0 403.866 3.747 20 5 HHBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1Br ZINC000760788572 1073976469 /nfs/dbraw/zinc/97/64/69/1073976469.db2.gz SQLFMYPFFIJNSP-UHFFFAOYSA-N 1 0 418.291 3.883 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000760812188 1074165324 /nfs/dbraw/zinc/16/53/24/1074165324.db2.gz JIOFNRKNEZOJPB-HZSPNIEDSA-N 1 0 410.312 3.835 20 5 HHBDRO C[N@@H+]1CCCC[C@H]1CCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000760830225 1074302962 /nfs/dbraw/zinc/30/29/62/1074302962.db2.gz GHESMWQJZPKHEI-HNNXBMFYSA-N 1 0 400.445 3.610 20 5 HHBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCOCc2ccccc2)c1 ZINC000574322320 1075220399 /nfs/dbraw/zinc/22/03/99/1075220399.db2.gz MZMIBBGVYWLSQT-UHFFFAOYSA-N 1 0 412.227 3.506 20 5 HHBDRO COc1ccc(C[C@@](C)(O)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000574612396 1075301984 /nfs/dbraw/zinc/30/19/84/1075301984.db2.gz XHSYEQRPFJOZKJ-SIKLNZKXSA-N 1 0 400.475 3.573 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000574932992 1075440599 /nfs/dbraw/zinc/44/05/99/1075440599.db2.gz WNCYYWQIPIQKNR-KRWDZBQOSA-N 1 0 400.475 3.777 20 5 HHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])CC[C@@H]21 ZINC001164836322 720570854 /nfs/dbraw/zinc/57/08/54/720570854.db2.gz JOOXSIBSFHVNJR-DYXWJJEUSA-N 1 0 420.517 3.717 20 5 HHBDRO O=[N+]([O-])c1ccc2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2c1 ZINC001164906801 721526282 /nfs/dbraw/zinc/52/62/82/721526282.db2.gz LJZUMTWTNMWKIG-AZUAARDMSA-N 1 0 408.433 3.624 20 5 HHBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c2ccccc21 ZINC001164903985 721529358 /nfs/dbraw/zinc/52/93/58/721529358.db2.gz DPPUTCSVJDRYBV-AEFFLSMTSA-N 1 0 408.433 3.624 20 5 HHBDRO O=[N+]([O-])c1cccc2nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)ccc21 ZINC001164911043 721531061 /nfs/dbraw/zinc/53/10/61/721531061.db2.gz VGEXDXZFYKXDSO-SJLPKXTDSA-N 1 0 408.433 3.624 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC001165020285 721801252 /nfs/dbraw/zinc/80/12/52/721801252.db2.gz FAQZZBUQNRFKDH-BMGDILEWSA-N 1 0 401.898 3.775 20 5 HHBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(Cl)cc([N+](=O)[O-])n4)CC3)C2)cc1 ZINC001164940539 721924658 /nfs/dbraw/zinc/92/46/58/721924658.db2.gz SSUFJYFWXKMRGP-UHFFFAOYSA-N 1 0 416.909 3.823 20 5 HHBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])cc3Cl)c2)C1 ZINC000301185399 970793724 /nfs/dbraw/zinc/79/37/24/970793724.db2.gz DMYALZAEUXRVHK-MRXNPFEDSA-N 1 0 402.882 3.558 20 5 HHBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301314701 970862424 /nfs/dbraw/zinc/86/24/24/970862424.db2.gz LOBIJDARKWSOBR-HNNXBMFYSA-N 1 0 414.462 3.941 20 5 HHBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1Br ZINC000301544178 970973515 /nfs/dbraw/zinc/97/35/15/970973515.db2.gz OTLWRLYSMPEIAC-OAHLLOKOSA-N 1 0 405.296 3.711 20 5 HHBDRO C[C@@H]([NH2+]C1(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000301570940 970984211 /nfs/dbraw/zinc/98/42/11/970984211.db2.gz MCEXPOORSRXVNP-OAHLLOKOSA-N 1 0 423.473 3.556 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000301606639 970998905 /nfs/dbraw/zinc/99/89/05/970998905.db2.gz YYVRMHBDMBIOLN-OXJNMPFZSA-N 1 0 408.502 3.810 20 5 HHBDRO C[C@@H]1C[C@@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000301611806 971001710 /nfs/dbraw/zinc/00/17/10/971001710.db2.gz FBXNIDGXMOTHCH-VQIMIIECSA-N 1 0 419.485 3.634 20 5 HHBDRO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000301674847 971023162 /nfs/dbraw/zinc/02/31/62/971023162.db2.gz HBWGDHSUPYJHLD-HNNXBMFYSA-N 1 0 405.296 3.729 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000301764895 971057832 /nfs/dbraw/zinc/05/78/32/971057832.db2.gz GXBXKQIXWZKCBD-RISCZKNCSA-N 1 0 414.384 3.975 20 5 HHBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCC(O)CC2)c(Br)c1 ZINC000301767384 971059997 /nfs/dbraw/zinc/05/99/97/971059997.db2.gz OESQVBPXYULGGX-UHFFFAOYSA-N 1 0 420.307 3.926 20 5 HHBDRO C[C@@H]1C[N@@H+](CC2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000301820218 971075591 /nfs/dbraw/zinc/07/55/91/971075591.db2.gz JJBSOQBFQFXFMR-OKILXGFUSA-N 1 0 401.429 3.939 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301967505 971136309 /nfs/dbraw/zinc/13/63/09/971136309.db2.gz OUKILRIDVKUJRS-KPZWWZAWSA-N 1 0 404.833 3.535 20 5 HHBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ncc([N+](=O)[O-])cc1Br ZINC000301972160 971138065 /nfs/dbraw/zinc/13/80/65/971138065.db2.gz HJWPNLNGQKXRRH-UHFFFAOYSA-N 1 0 420.311 3.890 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000302035301 971157745 /nfs/dbraw/zinc/15/77/45/971157745.db2.gz JQXKPVDPSLCZDQ-RBUKOAKNSA-N 1 0 414.550 3.922 20 5 HHBDRO C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302039214 971158258 /nfs/dbraw/zinc/15/82/58/971158258.db2.gz HDNCUQHDYABLKV-OLZOCXBDSA-N 1 0 417.478 3.656 20 5 HHBDRO O=[N+]([O-])c1cc(Br)ccc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000302063879 971167086 /nfs/dbraw/zinc/16/70/86/971167086.db2.gz VCSGAVMUBQRIKU-MRXNPFEDSA-N 1 0 406.280 3.536 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000302075613 971170499 /nfs/dbraw/zinc/17/04/99/971170499.db2.gz WAYCZRYIUQJVFS-SJORKVTESA-N 1 0 400.523 3.578 20 5 HHBDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000302119284 971180674 /nfs/dbraw/zinc/18/06/74/971180674.db2.gz CXLSGYMBXZPTBP-UHFFFAOYSA-N 1 0 421.295 3.625 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000524255691 1013067036 /nfs/dbraw/zinc/06/70/36/1013067036.db2.gz LMWHAZUCIIAQGU-CHWSQXEVSA-N 1 0 412.328 3.844 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)cc1[N+](=O)[O-] ZINC000542137025 1013069350 /nfs/dbraw/zinc/06/93/50/1013069350.db2.gz ZOAQQPDXGFZHIO-HNNXBMFYSA-N 1 0 406.479 3.606 20 5 HHBDRO C[C@@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000303335020 971638585 /nfs/dbraw/zinc/63/85/85/971638585.db2.gz OELCJZACEYZQIE-OAHLLOKOSA-N 1 0 417.893 3.913 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCN2CCSCC2)cc1 ZINC000524294881 1013104502 /nfs/dbraw/zinc/10/45/02/1013104502.db2.gz KBUQAHJBMNFAMX-UHFFFAOYSA-N 1 0 423.542 3.586 20 5 HHBDRO COc1ccc(NC(=O)CCN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000303583843 971876281 /nfs/dbraw/zinc/87/62/81/971876281.db2.gz KWZWHAFFMLPYOS-QZTJIDSGSA-N 1 0 418.538 3.518 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303753041 972005516 /nfs/dbraw/zinc/00/55/16/972005516.db2.gz CHZJIRSJMIIAED-PKOBYXMFSA-N 1 0 417.531 3.577 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303777646 972021760 /nfs/dbraw/zinc/02/17/60/972021760.db2.gz ICIAGPDFKZSCRJ-MJGOQNOKSA-N 1 0 417.531 3.577 20 5 HHBDRO C[C@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+]1Cc1ccccc1 ZINC000303783727 972025240 /nfs/dbraw/zinc/02/52/40/972025240.db2.gz SXSDQOQQTFLFJK-LAUBAEHRSA-N 1 0 411.502 3.946 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000542210116 1013156342 /nfs/dbraw/zinc/15/63/42/1013156342.db2.gz NFIOSAZTJYGCBS-SJORKVTESA-N 1 0 421.291 3.934 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCC(OCC[NH+]4CCCC4)CC3)cs2)c1 ZINC000537621106 1013164878 /nfs/dbraw/zinc/16/48/78/1013164878.db2.gz WBMUUAWGFFOWKF-UHFFFAOYSA-N 1 0 416.547 3.795 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000303863757 972405780 /nfs/dbraw/zinc/40/57/80/972405780.db2.gz MIBYNNZELFWWSZ-BQFCYCMXSA-N 1 0 411.506 3.718 20 5 HHBDRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000303871810 972413181 /nfs/dbraw/zinc/41/31/81/972413181.db2.gz XQCOGDIWOKRMOP-MJGOQNOKSA-N 1 0 417.531 3.577 20 5 HHBDRO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000537633689 1013188475 /nfs/dbraw/zinc/18/84/75/1013188475.db2.gz TXKUCOJHKARZAE-KRWDZBQOSA-N 1 0 412.881 3.824 20 5 HHBDRO Cn1cc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537691638 1013255671 /nfs/dbraw/zinc/25/56/71/1013255671.db2.gz SUHJNGOKDZSRIR-QFIPXVFZSA-N 1 0 406.486 3.829 20 5 HHBDRO O=C(NC1CC1)[C@H]([NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000015500296 962776151 /nfs/dbraw/zinc/77/61/51/962776151.db2.gz VUWGIOSLGBGXOZ-GOSISDBHSA-N 1 0 422.407 3.635 20 5 HHBDRO C[C@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016402082 963034621 /nfs/dbraw/zinc/03/46/21/963034621.db2.gz OBUCBADNFVMPLV-INIZCTEOSA-N 1 0 411.458 3.765 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000020936123 963406012 /nfs/dbraw/zinc/40/60/12/963406012.db2.gz VEWGQPXCKWYYBD-IBGZPJMESA-N 1 0 400.479 3.723 20 5 HHBDRO CC1CC[NH+]([C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000022680740 963695267 /nfs/dbraw/zinc/69/52/67/963695267.db2.gz FLTXPEDJJNUDCL-GOSISDBHSA-N 1 0 403.504 3.625 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000023229080 963786953 /nfs/dbraw/zinc/78/69/53/963786953.db2.gz QQFSRKDRMLTEBV-INIZCTEOSA-N 1 0 414.531 3.856 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000542500206 1013445220 /nfs/dbraw/zinc/44/52/20/1013445220.db2.gz SYEBJZIPAKYCOW-AWEZNQCLSA-N 1 0 405.882 3.784 20 5 HHBDRO COc1cc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000026225308 964492754 /nfs/dbraw/zinc/49/27/54/964492754.db2.gz FKSYAPPOOVFIGJ-UHFFFAOYSA-N 1 0 409.389 3.665 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000026230649 964495921 /nfs/dbraw/zinc/49/59/21/964495921.db2.gz AZNLCSIITBBYLU-JOCHJYFZSA-N 1 0 406.442 3.706 20 5 HHBDRO COc1ccc(NC(=O)CC[N@H+](C)CCOc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000026336879 964527956 /nfs/dbraw/zinc/52/79/56/964527956.db2.gz QCUPSOVTYJYLJN-UHFFFAOYSA-N 1 0 407.854 3.596 20 5 HHBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCCO1 ZINC000542562093 1013504511 /nfs/dbraw/zinc/50/45/11/1013504511.db2.gz GJVNULAJNCNONE-ISTRZQFTSA-N 1 0 404.492 3.593 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000026713309 964654793 /nfs/dbraw/zinc/65/47/93/964654793.db2.gz MPWFHFILFLVCSK-WBVHZDCISA-N 1 0 413.499 3.824 20 5 HHBDRO COc1ccc2oc([C@@H](C)[NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000542582177 1013523281 /nfs/dbraw/zinc/52/32/81/1013523281.db2.gz FCXDHYQOHMVZOR-CABCVRRESA-N 1 0 400.431 3.749 20 5 HHBDRO CNc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000027573281 964921387 /nfs/dbraw/zinc/92/13/87/964921387.db2.gz KGBYHPCWZFWBEM-SFHVURJKSA-N 1 0 402.520 3.901 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000027574187 964922224 /nfs/dbraw/zinc/92/22/24/964922224.db2.gz AJHNBUUZAGXLTD-QGZVFWFLSA-N 1 0 403.504 3.868 20 5 HHBDRO CC1CC[NH+]([C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000028834201 965193767 /nfs/dbraw/zinc/19/37/67/965193767.db2.gz MHQAAIPERAXVOK-GOSISDBHSA-N 1 0 403.504 3.625 20 5 HHBDRO CC[C@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000537990255 1013565179 /nfs/dbraw/zinc/56/51/79/1013565179.db2.gz HWCHKMFTAMRGFS-NRFANRHFSA-N 1 0 414.481 3.514 20 5 HHBDRO CC[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000029908700 965553186 /nfs/dbraw/zinc/55/31/86/965553186.db2.gz DZGJXBYAKVXZNH-FQEVSTJZSA-N 1 0 408.502 3.736 20 5 HHBDRO O=C(CC[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000030154972 965622950 /nfs/dbraw/zinc/62/29/50/965622950.db2.gz YYNGKSHRRACMMZ-UHFFFAOYSA-N 1 0 420.872 3.534 20 5 HHBDRO CN1CC[NH+](CC2(C)CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)CC1 ZINC000542673229 1013597234 /nfs/dbraw/zinc/59/72/34/1013597234.db2.gz CEAHRUJZRSMCME-UHFFFAOYSA-N 1 0 416.569 3.878 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1OC ZINC000058880487 965938800 /nfs/dbraw/zinc/93/88/00/965938800.db2.gz WEQSPRKZPFPZPN-UHFFFAOYSA-N 1 0 419.522 3.730 20 5 HHBDRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000031240457 965949966 /nfs/dbraw/zinc/94/99/66/965949966.db2.gz IZARTPUWSDBCGV-UHFFFAOYSA-N 1 0 424.526 3.752 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000060089826 966059628 /nfs/dbraw/zinc/05/96/28/966059628.db2.gz LUPZGCDCYJIYHG-LJQANCHMSA-N 1 0 411.458 3.840 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000060089830 966060365 /nfs/dbraw/zinc/06/03/65/966060365.db2.gz SAOWYKUNEFHBFW-LJQANCHMSA-N 1 0 411.458 3.840 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1C ZINC000060499781 966175082 /nfs/dbraw/zinc/17/50/82/966175082.db2.gz SESXXYFOKUGIKH-UHFFFAOYSA-N 1 0 405.520 3.530 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-])c1ccccn1 ZINC000055996686 966175808 /nfs/dbraw/zinc/17/58/08/966175808.db2.gz VOZAXDJJRJSUDY-CWFSZBLJSA-N 1 0 409.490 3.520 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000060569515 966210150 /nfs/dbraw/zinc/21/01/50/966210150.db2.gz WPKLWDQZSZWOFP-IEBWSBKVSA-N 1 0 417.531 3.749 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1Cl ZINC000032317648 966221872 /nfs/dbraw/zinc/22/18/72/966221872.db2.gz WHGLAYPGZKTWTQ-QGZVFWFLSA-N 1 0 419.865 3.790 20 5 HHBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000056159848 966240036 /nfs/dbraw/zinc/24/00/36/966240036.db2.gz ABGAGAGXDRDIFF-KGLIPLIRSA-N 1 0 411.462 3.557 20 5 HHBDRO COc1ccc(CSCC(=O)NCC2([NH+](C)C)CCCCCC2)cc1[N+](=O)[O-] ZINC000032709517 966314026 /nfs/dbraw/zinc/31/40/26/966314026.db2.gz QCZUKZPBHWWHFA-UHFFFAOYSA-N 1 0 409.552 3.607 20 5 HHBDRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000061572328 966504988 /nfs/dbraw/zinc/50/49/88/966504988.db2.gz CVYPBSNDKZDIQT-UHFFFAOYSA-N 1 0 410.499 3.920 20 5 HHBDRO COc1cccc([C@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000041816135 966642071 /nfs/dbraw/zinc/64/20/71/966642071.db2.gz PYSQIHIKEPQMDT-FQEVSTJZSA-N 1 0 415.515 3.892 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063131061 966759835 /nfs/dbraw/zinc/75/98/35/966759835.db2.gz WRMNUNKKEPXDOO-UHFFFAOYSA-N 1 0 400.504 3.554 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000063726584 966940443 /nfs/dbraw/zinc/94/04/43/966940443.db2.gz UWDSZICPXPWVLY-KRWDZBQOSA-N 1 0 402.539 3.778 20 5 HHBDRO CS(=O)(=O)c1ccc(NCc2ccc(C[NH+]3CCCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000063737660 966943153 /nfs/dbraw/zinc/94/31/53/966943153.db2.gz GATXORLQHFLIGT-UHFFFAOYSA-N 1 0 417.531 3.986 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H](c4nncn4C4CC4)C3)o2)c1 ZINC000538139369 1013700077 /nfs/dbraw/zinc/70/00/77/1013700077.db2.gz UXUMDQHGWKPOMI-MRXNPFEDSA-N 1 0 408.462 3.598 20 5 HHBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1OC(F)F ZINC000538155348 1013716366 /nfs/dbraw/zinc/71/63/66/1013716366.db2.gz URESEHZZSOWRGP-MRXNPFEDSA-N 1 0 405.401 3.826 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000065087015 967370963 /nfs/dbraw/zinc/37/09/63/967370963.db2.gz GWGRUMIIYCRFCI-GOSISDBHSA-N 1 0 410.499 3.621 20 5 HHBDRO CCc1ccc([C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000542869940 1013723214 /nfs/dbraw/zinc/72/32/14/1013723214.db2.gz UVZWKSHHIDEHAV-KRWDZBQOSA-N 1 0 407.417 3.791 20 5 HHBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045832017 967567723 /nfs/dbraw/zinc/56/77/23/967567723.db2.gz UCJLQUWVKAJNOJ-UHFFFAOYSA-N 1 0 400.523 3.897 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1cccc([N+](=O)[O-])c1 ZINC000538177386 1013736449 /nfs/dbraw/zinc/73/64/49/1013736449.db2.gz VMKKHSIYOBNLIL-LBPRGKRZSA-N 1 0 405.838 3.699 20 5 HHBDRO C[NH+](C)CCn1c(=O)oc2ccc(NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)cc21 ZINC000554000543 1013746558 /nfs/dbraw/zinc/74/65/58/1013746558.db2.gz MOJADKMRYFFPGN-UHFFFAOYSA-N 1 0 422.441 3.936 20 5 HHBDRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCn3cc([N+](=O)[O-])ccc3=O)cc2)c1 ZINC000538201121 1013756545 /nfs/dbraw/zinc/75/65/45/1013756545.db2.gz HRYBQTVOPWPNQV-GOSISDBHSA-N 1 0 407.470 3.995 20 5 HHBDRO CC(C)Oc1ccc([C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[NH+](C)C)cc1 ZINC000554015082 1013754201 /nfs/dbraw/zinc/75/42/01/1013754201.db2.gz JWRDVNXXMOAABM-QFIPXVFZSA-N 1 0 424.501 3.756 20 5 HHBDRO O=C(C[NH2+][C@H](COc1ccccc1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000538217074 1013768878 /nfs/dbraw/zinc/76/88/78/1013768878.db2.gz ZBYBTSADHFGMIU-JOCHJYFZSA-N 1 0 417.465 3.894 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000047609133 968257271 /nfs/dbraw/zinc/25/72/71/968257271.db2.gz LURDREIJFVBUCQ-LSDHHAIUSA-N 1 0 401.463 3.988 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cccs1 ZINC000047718486 968286317 /nfs/dbraw/zinc/28/63/17/968286317.db2.gz FSZQCXJTZZKOBE-CQSZACIVSA-N 1 0 417.409 3.630 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccsc1 ZINC000048093783 968420030 /nfs/dbraw/zinc/42/00/30/968420030.db2.gz AYCHSGQUYGNKBH-HNNXBMFYSA-N 1 0 417.409 3.630 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000048236894 968495425 /nfs/dbraw/zinc/49/54/25/968495425.db2.gz KMEYOQLBQXPEHN-AWEZNQCLSA-N 1 0 417.428 3.920 20 5 HHBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1 ZINC000554111862 1013802931 /nfs/dbraw/zinc/80/29/31/1013802931.db2.gz JAVHGMVVIKCMBR-IYOUNJFTSA-N 1 0 400.504 3.521 20 5 HHBDRO COc1cccc([C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[NH+]2CCCC2)c1 ZINC000048297771 968515402 /nfs/dbraw/zinc/51/54/02/968515402.db2.gz AETKXTJNNKWDQE-FQEVSTJZSA-N 1 0 408.458 3.652 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000538269203 1013809653 /nfs/dbraw/zinc/80/96/53/1013809653.db2.gz VPOMLQOEZVRNBT-CABCVRRESA-N 1 0 423.473 3.775 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000538278729 1013817185 /nfs/dbraw/zinc/81/71/85/1013817185.db2.gz BLDXIJPBXGYZTQ-BBRMVZONSA-N 1 0 409.280 3.756 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000071954926 968907701 /nfs/dbraw/zinc/90/77/01/968907701.db2.gz IPIBWZYUDONSDN-OAHLLOKOSA-N 1 0 407.474 3.818 20 5 HHBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000071956401 968909004 /nfs/dbraw/zinc/90/90/04/968909004.db2.gz NSHCEQWRGSENDI-UHFFFAOYSA-N 1 0 423.517 3.559 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)cc2)C1 ZINC000072009547 968930781 /nfs/dbraw/zinc/93/07/81/968930781.db2.gz XBPVYOGMSGJDAQ-KRWDZBQOSA-N 1 0 410.518 3.823 20 5 HHBDRO CCOc1cc(C[N@@H+]2CC[C@H]2C(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000538304429 1013837776 /nfs/dbraw/zinc/83/77/76/1013837776.db2.gz GVTALXMGWWHZRQ-SFHVURJKSA-N 1 0 402.495 3.808 20 5 HHBDRO COc1cc(C(=O)NCCC[NH+](C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000097679555 969180836 /nfs/dbraw/zinc/18/08/36/969180836.db2.gz CPZCMONTKYZMHR-UHFFFAOYSA-N 1 0 407.854 3.731 20 5 HHBDRO O=[N+]([O-])c1cc(Br)ccc1NC[C@H](c1ccccc1)N1CCOCC1 ZINC000105789154 969263716 /nfs/dbraw/zinc/26/37/16/969263716.db2.gz QFYZJEGUNCXVSS-GOSISDBHSA-N 1 0 406.280 3.843 20 5 HHBDRO C[C@H]1C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@H](C)O1 ZINC000107926838 969345361 /nfs/dbraw/zinc/34/53/61/969345361.db2.gz CWIMWVBRLGACKS-IRXDYDNUSA-N 1 0 413.474 3.616 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Cc1ccccc1 ZINC000108480059 969388914 /nfs/dbraw/zinc/38/89/14/969388914.db2.gz XDRIPUKIJUFVLS-OAQYLSRUSA-N 1 0 424.545 3.878 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000109298979 969493265 /nfs/dbraw/zinc/49/32/65/969493265.db2.gz ACBREPRMHPDOML-IBGZPJMESA-N 1 0 400.479 3.601 20 5 HHBDRO CCOc1cc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000109351089 969504602 /nfs/dbraw/zinc/50/46/02/969504602.db2.gz NETVVIREUPUNAS-UHFFFAOYSA-N 1 0 419.522 3.777 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000110339765 969656309 /nfs/dbraw/zinc/65/63/09/969656309.db2.gz JYGWTCQICQDJKO-HKUYNNGSSA-N 1 0 423.517 3.863 20 5 HHBDRO CN(C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000110631299 969697988 /nfs/dbraw/zinc/69/79/88/969697988.db2.gz WGOAEOJJAYHTNU-INIZCTEOSA-N 1 0 420.510 3.502 20 5 HHBDRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000111048541 969766822 /nfs/dbraw/zinc/76/68/22/969766822.db2.gz ZUCSIOSKCOMRNV-ZDUSSCGKSA-N 1 0 411.911 3.656 20 5 HHBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C2)CC1 ZINC000116277655 969884432 /nfs/dbraw/zinc/88/44/32/969884432.db2.gz JBWCVDRCDBNHIU-LJQANCHMSA-N 1 0 414.550 3.779 20 5 HHBDRO O=C(CC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000116737134 969919220 /nfs/dbraw/zinc/91/92/20/969919220.db2.gz UTFSWAIDCFDLBW-UHFFFAOYSA-N 1 0 420.473 3.588 20 5 HHBDRO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000554405275 1013935239 /nfs/dbraw/zinc/93/52/39/1013935239.db2.gz MJVIPXLSAWKDOO-UHFFFAOYSA-N 1 0 400.426 3.926 20 5 HHBDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Br ZINC000216016680 970060708 /nfs/dbraw/zinc/06/07/08/970060708.db2.gz PNOHPFNKDQFVST-GFCCVEGCSA-N 1 0 422.279 3.964 20 5 HHBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000227440801 970118855 /nfs/dbraw/zinc/11/88/55/970118855.db2.gz SXWJRAYSPULQHY-KSZLIROESA-N 1 0 402.539 3.681 20 5 HHBDRO CC(C)N1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O ZINC000236622355 970146947 /nfs/dbraw/zinc/14/69/47/970146947.db2.gz PBXPUMANKLLBNT-NRFANRHFSA-N 1 0 419.485 3.546 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000236842038 970179696 /nfs/dbraw/zinc/17/96/96/970179696.db2.gz DJHSBSCZJXXGML-UHFFFAOYSA-N 1 0 422.279 3.874 20 5 HHBDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237011296 970206892 /nfs/dbraw/zinc/20/68/92/970206892.db2.gz FGUGWWXFWBPVOX-ZDUSSCGKSA-N 1 0 412.895 3.953 20 5 HHBDRO COc1cc(C[NH2+]CC2(O)CCCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237133442 970228711 /nfs/dbraw/zinc/22/87/11/970228711.db2.gz QYKOANFQFWKTAX-UHFFFAOYSA-N 1 0 406.401 3.719 20 5 HHBDRO COc1cc(C[NH2+]CCOc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000237183618 970237582 /nfs/dbraw/zinc/23/75/82/970237582.db2.gz ORTLGEDSBRKVMT-UHFFFAOYSA-N 1 0 400.353 3.799 20 5 HHBDRO COc1cc(C[NH2+]CCc2ccc(F)c(Br)c2)c([N+](=O)[O-])cc1OC ZINC000237196746 970239827 /nfs/dbraw/zinc/23/98/27/970239827.db2.gz AVLMXFQHYIOWBK-UHFFFAOYSA-N 1 0 413.243 3.846 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237244777 970247588 /nfs/dbraw/zinc/24/75/88/970247588.db2.gz YNHGUIFPGQFWFN-FCHUYYIVSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237336548 970265806 /nfs/dbraw/zinc/26/58/06/970265806.db2.gz YROIFXFXTVYHCH-VQIMIIECSA-N 1 0 411.502 3.897 20 5 HHBDRO COc1ccc(C[NH2+]C2CCN(C3CC3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237351602 970268291 /nfs/dbraw/zinc/26/82/91/970268291.db2.gz YOUFHPNOVFKQKR-UHFFFAOYSA-N 1 0 411.502 3.899 20 5 HHBDRO CSC[C@@H](CCO)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237361906 970269812 /nfs/dbraw/zinc/26/98/12/970269812.db2.gz KDKJEAMVEAHHHB-GOSISDBHSA-N 1 0 412.515 3.651 20 5 HHBDRO CSC[C@H](CCO)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237370345 970272182 /nfs/dbraw/zinc/27/21/82/970272182.db2.gz KDKJEAMVEAHHHB-SFHVURJKSA-N 1 0 412.515 3.651 20 5 HHBDRO COc1cc(C[NH2+]CCCc2cn(-c3ccccc3)nc2C)c([N+](=O)[O-])cc1OC ZINC000237394096 970276469 /nfs/dbraw/zinc/27/64/69/970276469.db2.gz UIUJHGHTBWKOTF-UHFFFAOYSA-N 1 0 410.474 3.829 20 5 HHBDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237421798 970282542 /nfs/dbraw/zinc/28/25/42/970282542.db2.gz PLKPKXNGSBKLJF-MGPUTAFESA-N 1 0 412.515 3.650 20 5 HHBDRO COc1ccc(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)cc1[N+](=O)[O-] ZINC000237427363 970284037 /nfs/dbraw/zinc/28/40/37/970284037.db2.gz XUGPURWLCMKWCF-OAHLLOKOSA-N 1 0 420.307 3.982 20 5 HHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000237483368 970296077 /nfs/dbraw/zinc/29/60/77/970296077.db2.gz BLCARUAOJRMLKI-DYESRHJHSA-N 1 0 405.502 3.748 20 5 HHBDRO C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000237493053 970301137 /nfs/dbraw/zinc/30/11/37/970301137.db2.gz BLCARUAOJRMLKI-UTKZUKDTSA-N 1 0 405.502 3.748 20 5 HHBDRO Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000237799572 970369881 /nfs/dbraw/zinc/36/98/81/970369881.db2.gz ZTRXSAVCYKGOET-QGZVFWFLSA-N 1 0 405.401 3.790 20 5 HHBDRO Cc1ccc([C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000237972019 970407456 /nfs/dbraw/zinc/40/74/56/970407456.db2.gz GFFLKMGOXNDRLN-HXUWFJFHSA-N 1 0 409.490 3.823 20 5 HHBDRO CC(C)[C@@H](CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000301081092 970738366 /nfs/dbraw/zinc/73/83/66/970738366.db2.gz QGJVERBPQUYCLP-MRXNPFEDSA-N 1 0 408.852 3.951 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000310363909 972620663 /nfs/dbraw/zinc/62/06/63/972620663.db2.gz YMTCCFDQUUADJQ-UHFFFAOYSA-N 1 0 406.280 3.561 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1Br ZINC000311846344 972628473 /nfs/dbraw/zinc/62/84/73/972628473.db2.gz VBCVEZUNNNIQDQ-HNNXBMFYSA-N 1 0 418.291 3.609 20 5 HHBDRO COc1cc(-c2noc([C@@H](C)c3cccc([N+](=O)[O-])c3)n2)ccc1OCC[NH+](C)C ZINC000554794854 1014049714 /nfs/dbraw/zinc/04/97/14/1014049714.db2.gz OESFIXBOMGGEDH-AWEZNQCLSA-N 1 0 412.446 3.746 20 5 HHBDRO O=[N+]([O-])c1cnc(N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(Br)c1 ZINC000382197722 972784670 /nfs/dbraw/zinc/78/46/70/972784670.db2.gz ZKTPMJRHWXQNRN-HZPDHXFCSA-N 1 0 417.307 3.711 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccccc1Br)CCc1cccc([N+](=O)[O-])c1 ZINC000554834469 1014067997 /nfs/dbraw/zinc/06/79/97/1014067997.db2.gz GLJLUNCKGSEMNY-UHFFFAOYSA-N 1 0 406.280 3.860 20 5 HHBDRO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554847136 1014073339 /nfs/dbraw/zinc/07/33/39/1014073339.db2.gz RGNWSNPOPYWFGD-AWEZNQCLSA-N 1 0 407.873 3.909 20 5 HHBDRO O=C(CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000410026015 973504307 /nfs/dbraw/zinc/50/43/07/973504307.db2.gz COAGXBIOUWMUKT-UHFFFAOYSA-N 1 0 422.407 3.764 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000425980866 974090540 /nfs/dbraw/zinc/09/05/40/974090540.db2.gz PGMXQKZNHHJAJE-ROUUACIJSA-N 1 0 422.407 3.858 20 5 HHBDRO CCC[NH+]1CCC(N(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000426272267 974361501 /nfs/dbraw/zinc/36/15/01/974361501.db2.gz WGRCDKAIEKECLE-UHFFFAOYSA-N 1 0 402.417 3.629 20 5 HHBDRO CC[NH+]1CCN(c2ccc(-c3noc(C(C)(C)c4ccccc4[N+](=O)[O-])n3)cn2)CC1 ZINC000426438353 974449009 /nfs/dbraw/zinc/44/90/09/974449009.db2.gz SPIFHLUYHVRCTE-UHFFFAOYSA-N 1 0 422.489 3.508 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@](O)(C4CC4)C3)o2)c(Br)c1 ZINC000426504320 974492429 /nfs/dbraw/zinc/49/24/29/974492429.db2.gz MVEFNGVSUMNWTA-SFHVURJKSA-N 1 0 407.264 3.964 20 5 HHBDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1 ZINC000426894424 974737080 /nfs/dbraw/zinc/73/70/80/974737080.db2.gz BJMPGAIESCAOHJ-LJQANCHMSA-N 1 0 415.493 3.942 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000427297943 975034695 /nfs/dbraw/zinc/03/46/95/975034695.db2.gz YABKMGLROYSUJQ-HZPDHXFCSA-N 1 0 421.563 3.668 20 5 HHBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000427490311 975144761 /nfs/dbraw/zinc/14/47/61/975144761.db2.gz JLZOHQSRJIGTSS-UHFFFAOYSA-N 1 0 405.458 3.937 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CNC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429233404 976525061 /nfs/dbraw/zinc/52/50/61/976525061.db2.gz CZXFSXLUOZGQGO-UHFFFAOYSA-N 1 0 424.545 3.509 20 5 HHBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000429536944 976799051 /nfs/dbraw/zinc/79/90/51/976799051.db2.gz LOKMRZYNSLKYSP-SIKLNZKXSA-N 1 0 410.518 3.999 20 5 HHBDRO CCO[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C12CCCCC2 ZINC000429795043 977072859 /nfs/dbraw/zinc/07/28/59/977072859.db2.gz YJWWEEGVAMFTGU-MOPGFXCFSA-N 1 0 405.495 3.650 20 5 HHBDRO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000429849527 977120544 /nfs/dbraw/zinc/12/05/44/977120544.db2.gz SGJMOTFQZQUSKE-CYBMUJFWSA-N 1 0 418.291 3.534 20 5 HHBDRO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000429849528 977120967 /nfs/dbraw/zinc/12/09/67/977120967.db2.gz SGJMOTFQZQUSKE-ZDUSSCGKSA-N 1 0 418.291 3.534 20 5 HHBDRO COc1cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000430129209 977336132 /nfs/dbraw/zinc/33/61/32/977336132.db2.gz ZQJRMALHMOIVKK-QHCPKHFHSA-N 1 0 411.502 3.710 20 5 HHBDRO COc1cc(N[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3OC)C2)cc(OC)c1 ZINC000430204974 977390140 /nfs/dbraw/zinc/39/01/40/977390140.db2.gz SYCHFDSPWMOAOC-MRXNPFEDSA-N 1 0 401.463 3.697 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000430662396 977675176 /nfs/dbraw/zinc/67/51/76/977675176.db2.gz IBLAFWUOQRABFE-XLIONFOSSA-N 1 0 406.486 3.719 20 5 HHBDRO Cc1cc(OCC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000430700391 977702993 /nfs/dbraw/zinc/70/29/93/977702993.db2.gz AZODIZFNDKDWCD-QRWLVFNGSA-N 1 0 403.504 3.543 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2C[NH+](CC)CC)cc1OC ZINC000430823933 977779386 /nfs/dbraw/zinc/77/93/86/977779386.db2.gz VDIDMOSWIRGEFD-RDJZCZTQSA-N 1 0 407.511 3.633 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430927374 977892264 /nfs/dbraw/zinc/89/22/64/977892264.db2.gz IQERKNIHCOFYKS-NRFANRHFSA-N 1 0 411.502 3.956 20 5 HHBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000431008172 977952202 /nfs/dbraw/zinc/95/22/02/977952202.db2.gz XMODJOUNBQUHMN-UHFFFAOYSA-N 1 0 422.957 3.517 20 5 HHBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431641856 978402169 /nfs/dbraw/zinc/40/21/69/978402169.db2.gz XJWBGQIBBNGVDY-UHFFFAOYSA-N 1 0 418.291 3.883 20 5 HHBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000431838248 978546269 /nfs/dbraw/zinc/54/62/69/978546269.db2.gz QOWODBCOMPPZBL-UHFFFAOYSA-N 1 0 411.550 3.776 20 5 HHBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000431918353 978600456 /nfs/dbraw/zinc/60/04/56/978600456.db2.gz HJOAPHCEFMQDLJ-GDBMZVCRSA-N 1 0 423.922 3.580 20 5 HHBDRO CC(C)(NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431955237 978617513 /nfs/dbraw/zinc/61/75/13/978617513.db2.gz PPOUOJXKOWFMRB-IBGZPJMESA-N 1 0 410.518 3.694 20 5 HHBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000432481944 978839663 /nfs/dbraw/zinc/83/96/63/978839663.db2.gz DODHKDDTIPGTFV-UHFFFAOYSA-N 1 0 420.469 3.799 20 5 HHBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000432758966 978962277 /nfs/dbraw/zinc/96/22/77/978962277.db2.gz SEIIHXFQBHEXJP-QGZVFWFLSA-N 1 0 418.291 3.704 20 5 HHBDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433152987 979102398 /nfs/dbraw/zinc/10/23/98/979102398.db2.gz UNGFEBYCGCNYTR-DJJJIMSYSA-N 1 0 403.504 3.576 20 5 HHBDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433152988 979102506 /nfs/dbraw/zinc/10/25/06/979102506.db2.gz UNGFEBYCGCNYTR-ORAYPTAESA-N 1 0 403.504 3.576 20 5 HHBDRO CC1(C)C[C@H]([NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433161246 979107912 /nfs/dbraw/zinc/10/79/12/979107912.db2.gz JNGGXPGANONHLB-SFHVURJKSA-N 1 0 414.506 3.552 20 5 HHBDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433164273 979110285 /nfs/dbraw/zinc/11/02/85/979110285.db2.gz DVMWPOAHEDFAKB-JOCHJYFZSA-N 1 0 422.529 3.776 20 5 HHBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433176181 979120185 /nfs/dbraw/zinc/12/01/85/979120185.db2.gz PTKNGCVJZDSNHI-LJQANCHMSA-N 1 0 422.529 3.910 20 5 HHBDRO COC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000433199343 979136582 /nfs/dbraw/zinc/13/65/82/979136582.db2.gz LBAUYXBTAMFWRR-YADHBBJMSA-N 1 0 422.485 3.731 20 5 HHBDRO CCCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000434190881 979956506 /nfs/dbraw/zinc/95/65/06/979956506.db2.gz KNFFUAZZHVYOLL-SFHVURJKSA-N 1 0 413.522 3.958 20 5 HHBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000434310719 980070665 /nfs/dbraw/zinc/07/06/65/980070665.db2.gz CKCZAHUWVPWRQX-QGZVFWFLSA-N 1 0 411.487 3.861 20 5 HHBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000434313957 980074974 /nfs/dbraw/zinc/07/49/74/980074974.db2.gz CFRQOHJVFUHCAW-OAQYLSRUSA-N 1 0 419.485 3.728 20 5 HHBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000434322675 980085898 /nfs/dbraw/zinc/08/58/98/980085898.db2.gz WXBOKPCHGUBXBV-FQEVSTJZSA-N 1 0 405.458 3.799 20 5 HHBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000434427298 980167199 /nfs/dbraw/zinc/16/71/99/980167199.db2.gz ZUNFHZPOKZELHD-MRXNPFEDSA-N 1 0 411.452 3.706 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434666827 980329436 /nfs/dbraw/zinc/32/94/36/980329436.db2.gz VDHFPPQVUKEJFZ-UHFFFAOYSA-N 1 0 413.449 3.966 20 5 HHBDRO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCN(c2cnccn2)CC1 ZINC000435044173 980592107 /nfs/dbraw/zinc/59/21/07/980592107.db2.gz TXRXYTOMGHDANO-UHFFFAOYSA-N 1 0 410.503 3.609 20 5 HHBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435302174 980768070 /nfs/dbraw/zinc/76/80/70/980768070.db2.gz LITAYRVIIQSMOC-HXUWFJFHSA-N 1 0 405.458 3.799 20 5 HHBDRO Cc1c(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435322896 980781333 /nfs/dbraw/zinc/78/13/33/980781333.db2.gz HWBGMTAGXWNAAW-CYBMUJFWSA-N 1 0 413.316 3.765 20 5 HHBDRO Cc1c(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc(Br)cc1[N+](=O)[O-] ZINC000435328925 980787417 /nfs/dbraw/zinc/78/74/17/980787417.db2.gz NLWBOHICBSTNQT-AGUYFDCRSA-N 1 0 411.300 3.803 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435366861 980815294 /nfs/dbraw/zinc/81/52/94/980815294.db2.gz OYMAZKKUJIXNAG-IBGZPJMESA-N 1 0 405.458 3.799 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000435371470 980820591 /nfs/dbraw/zinc/82/05/91/980820591.db2.gz VGDHAAPZDDLOAG-SFHVURJKSA-N 1 0 405.458 3.799 20 5 HHBDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000435532881 980925418 /nfs/dbraw/zinc/92/54/18/980925418.db2.gz GUUKTBADNIPNMU-UHFFFAOYSA-N 1 0 420.513 3.975 20 5 HHBDRO COc1cccc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)c1[N+](=O)[O-] ZINC000435691038 980988811 /nfs/dbraw/zinc/98/88/11/980988811.db2.gz CQTODYTXXPZZAT-UHFFFAOYSA-N 1 0 401.488 3.713 20 5 HHBDRO COc1ccc(C[NH2+]CC2([S@@](C)=O)CCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435727799 981004888 /nfs/dbraw/zinc/00/48/88/981004888.db2.gz FYXHGCAAYPEHNQ-GDLZYMKVSA-N 1 0 418.515 3.573 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 ZINC000435815100 981042857 /nfs/dbraw/zinc/04/28/57/981042857.db2.gz ASOWCMBKIZPIST-FQEVSTJZSA-N 1 0 421.447 3.992 20 5 HHBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435818387 981044417 /nfs/dbraw/zinc/04/44/17/981044417.db2.gz SDVGWXCMYMHMPB-UHFFFAOYSA-N 1 0 403.457 3.812 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccccc1 ZINC000435820596 981045489 /nfs/dbraw/zinc/04/54/89/981045489.db2.gz XTBAQVAJLJMFRG-NRFANRHFSA-N 1 0 421.447 3.992 20 5 HHBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1 ZINC000435889952 981078980 /nfs/dbraw/zinc/07/89/80/981078980.db2.gz QPYLSOUHAUHHFA-YVEFUNNKSA-N 1 0 404.264 3.813 20 5 HHBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436140506 981216613 /nfs/dbraw/zinc/21/66/13/981216613.db2.gz ROUPNWFGRFFEHI-KGLIPLIRSA-N 1 0 413.468 3.810 20 5 HHBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436225249 981258111 /nfs/dbraw/zinc/25/81/11/981258111.db2.gz DXTICPMLDYNWNQ-UHFFFAOYSA-N 1 0 415.493 3.552 20 5 HHBDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000436269973 981278417 /nfs/dbraw/zinc/27/84/17/981278417.db2.gz MJQHPNIJXUTCQS-IEBWSBKVSA-N 1 0 405.495 3.856 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436334744 981307732 /nfs/dbraw/zinc/30/77/32/981307732.db2.gz AFFGTNYGLFGKBI-HNNXBMFYSA-N 1 0 409.412 3.895 20 5 HHBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000436406703 981351897 /nfs/dbraw/zinc/35/18/97/981351897.db2.gz QTEAEYWHKQCYLN-UHFFFAOYSA-N 1 0 410.396 3.646 20 5 HHBDRO O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000436883399 981600722 /nfs/dbraw/zinc/60/07/22/981600722.db2.gz FLNMTXMZQVLZEX-UHFFFAOYSA-N 1 0 423.391 3.667 20 5 HHBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448206567 981618583 /nfs/dbraw/zinc/61/85/83/981618583.db2.gz VKAYWGFRLUSYPD-BEFAXECRSA-N 1 0 412.515 3.807 20 5 HHBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000448283431 981671878 /nfs/dbraw/zinc/67/18/78/981671878.db2.gz YFJOQMZZZJCCHD-OAHLLOKOSA-N 1 0 402.520 3.816 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)OC4(CCOCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000448357708 981721588 /nfs/dbraw/zinc/72/15/88/981721588.db2.gz YCQKFZSMAVFMQM-OAHLLOKOSA-N 1 0 402.447 3.633 20 5 HHBDRO C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000460110099 981884649 /nfs/dbraw/zinc/88/46/49/981884649.db2.gz UCSPXNABBDKTEG-YYWHXJBOSA-N 1 0 408.502 3.819 20 5 HHBDRO CC(C)(C)OC(=O)CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000460211794 981986777 /nfs/dbraw/zinc/98/67/77/981986777.db2.gz QTFVMRITNFZWAP-UHFFFAOYSA-N 1 0 422.441 3.769 20 5 HHBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460242785 982020453 /nfs/dbraw/zinc/02/04/53/982020453.db2.gz TXKVLJYTDMGPFX-SFHVURJKSA-N 1 0 420.517 3.974 20 5 HHBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460303098 982081007 /nfs/dbraw/zinc/08/10/07/982081007.db2.gz GJSGMEMIPXKYCY-SFHVURJKSA-N 1 0 420.517 3.974 20 5 HHBDRO CCOc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000437857198 982414277 /nfs/dbraw/zinc/41/42/77/982414277.db2.gz DITPCJONVLZCQK-INIZCTEOSA-N 1 0 405.495 3.529 20 5 HHBDRO CC[NH+]1CCC(CCNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000461213187 982926644 /nfs/dbraw/zinc/92/66/44/982926644.db2.gz CMFGZSOMZGYSFB-UHFFFAOYSA-N 1 0 416.444 3.654 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)cc2[N+](=O)[O-])C1 ZINC000461264611 982970731 /nfs/dbraw/zinc/97/07/31/982970731.db2.gz OZZBXPZLTSHTFB-IEBWSBKVSA-N 1 0 402.539 3.778 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000438710801 983019039 /nfs/dbraw/zinc/01/90/39/983019039.db2.gz DYSDRPUIYCOKCH-UHFFFAOYSA-N 1 0 419.485 3.517 20 5 HHBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461421701 983084859 /nfs/dbraw/zinc/08/48/59/983084859.db2.gz BVNPIWHLBAYFLE-MOPGFXCFSA-N 1 0 411.527 3.667 20 5 HHBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461428752 983091645 /nfs/dbraw/zinc/09/16/45/983091645.db2.gz NADIHVSCOGFADC-ROUUACIJSA-N 1 0 404.470 3.670 20 5 HHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000438817871 983091828 /nfs/dbraw/zinc/09/18/28/983091828.db2.gz HEXRGZBFQDUYTJ-INIZCTEOSA-N 1 0 406.866 3.531 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461457340 983123594 /nfs/dbraw/zinc/12/35/94/983123594.db2.gz QCCJODVLJOIUDP-RTWAWAEBSA-N 1 0 418.497 3.530 20 5 HHBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000438993627 983199643 /nfs/dbraw/zinc/19/96/43/983199643.db2.gz CDSAPSKXRPUDRI-UWGQAIRJSA-N 1 0 403.523 3.883 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439319243 983362919 /nfs/dbraw/zinc/36/29/19/983362919.db2.gz RWXSGFUYZCGGTF-KRWDZBQOSA-N 1 0 408.857 3.949 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000439732803 983518709 /nfs/dbraw/zinc/51/87/09/983518709.db2.gz BETYSMJBZSRQAP-HNNXBMFYSA-N 1 0 409.490 3.520 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000439773757 983533036 /nfs/dbraw/zinc/53/30/36/983533036.db2.gz ZXCRHQOAPUWTAZ-AWEZNQCLSA-N 1 0 400.504 3.667 20 5 HHBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000440539034 983788606 /nfs/dbraw/zinc/78/86/06/983788606.db2.gz YJDUSPUJTUVZBI-HXUWFJFHSA-N 1 0 410.518 3.767 20 5 HHBDRO COc1cc(NC2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1 ZINC000440549184 983793014 /nfs/dbraw/zinc/79/30/14/983793014.db2.gz NTXGETXHGLAIKV-UHFFFAOYSA-N 1 0 415.490 3.957 20 5 HHBDRO CCCOc1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC000441082160 984060010 /nfs/dbraw/zinc/06/00/10/984060010.db2.gz VZBYBOQINPJGLU-UHFFFAOYSA-N 1 0 413.474 3.779 20 5 HHBDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000441378729 984219249 /nfs/dbraw/zinc/21/92/49/984219249.db2.gz OINYGMZPOIAEMM-FXAWDEMLSA-N 1 0 407.474 3.766 20 5 HHBDRO C[S@](=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000441385394 984223505 /nfs/dbraw/zinc/22/35/05/984223505.db2.gz VKWDIFGFDGWXDS-DEOSSOPVSA-N 1 0 413.293 3.618 20 5 HHBDRO COc1ccccc1-c1ccc([C@H](C)[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000441468704 984267456 /nfs/dbraw/zinc/26/74/56/984267456.db2.gz HERGDFJXVNKSKW-JXFKEZNVSA-N 1 0 410.474 3.521 20 5 HHBDRO COc1ccc2ccccc2c1C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000441476773 984273255 /nfs/dbraw/zinc/27/32/55/984273255.db2.gz AIPPDBQSIJIPED-FQEVSTJZSA-N 1 0 424.501 3.759 20 5 HHBDRO Cc1cc(NC2CC[NH+](C3CCN(C)CC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461785698 984777993 /nfs/dbraw/zinc/77/79/93/984777993.db2.gz LMCYTMWEAUYWLV-UHFFFAOYSA-N 1 0 400.445 3.893 20 5 HHBDRO Cc1cc(N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461967847 984954746 /nfs/dbraw/zinc/95/47/46/984954746.db2.gz RLQAGVRUQJDFNU-UHFFFAOYSA-N 1 0 423.439 3.705 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000462158040 985132583 /nfs/dbraw/zinc/13/25/83/985132583.db2.gz KCINCRDIJOEVDK-UGSOOPFHSA-N 1 0 418.291 3.608 20 5 HHBDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000442959759 985302942 /nfs/dbraw/zinc/30/29/42/985302942.db2.gz AQFTVTZIXIDZFI-UHFFFAOYSA-N 1 0 412.490 3.625 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000462348496 985337743 /nfs/dbraw/zinc/33/77/43/985337743.db2.gz PGIQYSGJGGOGLL-ZDUSSCGKSA-N 1 0 422.334 3.541 20 5 HHBDRO COc1cc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)ccc1[N+](=O)[O-] ZINC000462352694 985341130 /nfs/dbraw/zinc/34/11/30/985341130.db2.gz NZMDPKBFLBSOBI-AWEZNQCLSA-N 1 0 419.503 3.764 20 5 HHBDRO Cc1cc(N2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Br ZINC000462378942 985362031 /nfs/dbraw/zinc/36/20/31/985362031.db2.gz FPYIOZKOQZSSFR-QGZVFWFLSA-N 1 0 404.264 3.561 20 5 HHBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000443329880 985499218 /nfs/dbraw/zinc/49/92/18/985499218.db2.gz MPKPYIBBPKZJMA-ZYHUDNBSSA-N 1 0 401.282 3.509 20 5 HHBDRO CCc1ccc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000443351005 985515093 /nfs/dbraw/zinc/51/50/93/985515093.db2.gz KJRFCDYSJFNWJX-UHFFFAOYSA-N 1 0 415.465 3.570 20 5 HHBDRO Cc1cc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462593515 985539111 /nfs/dbraw/zinc/53/91/11/985539111.db2.gz POBJUOVAMHJXEL-UHFFFAOYSA-N 1 0 422.510 3.674 20 5 HHBDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000468037723 985694317 /nfs/dbraw/zinc/69/43/17/985694317.db2.gz JTUMCGVBFOTZIY-LBPRGKRZSA-N 1 0 407.854 3.772 20 5 HHBDRO Cc1ncn(-c2ccc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)cc2)c1C ZINC000462768905 985705662 /nfs/dbraw/zinc/70/56/62/985705662.db2.gz OYKPWZKXYKUFOF-UHFFFAOYSA-N 1 0 402.414 3.835 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000462773834 985709526 /nfs/dbraw/zinc/70/95/26/985709526.db2.gz ABZWAVBVLKSWEL-OAQYLSRUSA-N 1 0 417.550 3.515 20 5 HHBDRO COc1cc(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000462816594 985743607 /nfs/dbraw/zinc/74/36/07/985743607.db2.gz MKJZEWNMFZSTDC-UHFFFAOYSA-N 1 0 415.490 3.705 20 5 HHBDRO O=C(CN1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000443587389 985763227 /nfs/dbraw/zinc/76/32/27/985763227.db2.gz AKLSOXIUBWZTNY-UHFFFAOYSA-N 1 0 408.930 3.775 20 5 HHBDRO CNc1c(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000462925952 985859792 /nfs/dbraw/zinc/85/97/92/985859792.db2.gz NXEZVSMMDPMGKM-LJQANCHMSA-N 1 0 412.490 3.602 20 5 HHBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000463064988 986021469 /nfs/dbraw/zinc/02/14/69/986021469.db2.gz SDONXZAWYPCGRV-HXUWFJFHSA-N 1 0 422.529 3.789 20 5 HHBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)CC1 ZINC000463152080 986122687 /nfs/dbraw/zinc/12/26/87/986122687.db2.gz NJAMWABGMUHIDO-UHFFFAOYSA-N 1 0 422.407 3.613 20 5 HHBDRO C[NH+](C)[C@]1(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCSC1 ZINC000443921629 986125644 /nfs/dbraw/zinc/12/56/44/986125644.db2.gz SVGGBRALBPUMDR-FQEVSTJZSA-N 1 0 416.503 3.946 20 5 HHBDRO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000463203141 986174709 /nfs/dbraw/zinc/17/47/09/986174709.db2.gz JUXALAOTDSWJSO-OQKHSGFDSA-N 1 0 419.522 3.584 20 5 HHBDRO COc1cc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000468484108 986181586 /nfs/dbraw/zinc/18/15/86/986181586.db2.gz PRODNYZMMXYZPO-IRXDYDNUSA-N 1 0 402.438 3.929 20 5 HHBDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000463210814 986182667 /nfs/dbraw/zinc/18/26/67/986182667.db2.gz HCZWIODZVUQABF-HYJFEMIMSA-N 1 0 417.506 3.544 20 5 HHBDRO O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000444008183 986203614 /nfs/dbraw/zinc/20/36/14/986203614.db2.gz HPZQLROPYCFQKJ-HNNXBMFYSA-N 1 0 411.452 3.660 20 5 HHBDRO O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000444007457 986203988 /nfs/dbraw/zinc/20/39/88/986203988.db2.gz DWKAHMPVWSDBKE-INIZCTEOSA-N 1 0 411.452 3.660 20 5 HHBDRO CC(C)C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[NH+](C)C ZINC000444007936 986204204 /nfs/dbraw/zinc/20/42/04/986204204.db2.gz DHXZAWQPUIENHC-AWEZNQCLSA-N 1 0 401.457 3.666 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000468638608 986354846 /nfs/dbraw/zinc/35/48/46/986354846.db2.gz BVQOFTTUICZHIU-JZJYNLBNSA-N 1 0 422.529 3.717 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000468641065 986356880 /nfs/dbraw/zinc/35/68/80/986356880.db2.gz CLAANNGWDKPKPD-FOWTUZBSSA-N 1 0 417.531 3.865 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000468653816 986365412 /nfs/dbraw/zinc/36/54/12/986365412.db2.gz YLIKPAYYGBMWFH-GXDHUFHOSA-N 1 0 418.291 3.780 20 5 HHBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463626732 986602383 /nfs/dbraw/zinc/60/23/83/986602383.db2.gz HTLVTPIILUUSPG-UHFFFAOYSA-N 1 0 414.531 3.527 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000469074379 986786700 /nfs/dbraw/zinc/78/67/00/986786700.db2.gz SGIOFJLRJMRDEQ-ZGUWOUCSSA-N 1 0 421.291 3.790 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000444924182 987072088 /nfs/dbraw/zinc/07/20/88/987072088.db2.gz MXHAXDQVZMTETL-SCLBCKFNSA-N 1 0 404.492 3.870 20 5 HHBDRO COc1ccc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000469496496 987175703 /nfs/dbraw/zinc/17/57/03/987175703.db2.gz VMVLKAWNALOQDD-INIZCTEOSA-N 1 0 411.380 3.655 20 5 HHBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000469547353 987219563 /nfs/dbraw/zinc/21/95/63/987219563.db2.gz OPCQLLTXCSAZPU-LJQANCHMSA-N 1 0 405.520 3.567 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469790845 987435374 /nfs/dbraw/zinc/43/53/74/987435374.db2.gz MDEFIKYFHJHBNW-ROUUACIJSA-N 1 0 410.518 3.588 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)cc2[N+](=O)[O-])CC1 ZINC000464352153 988503257 /nfs/dbraw/zinc/50/32/57/988503257.db2.gz NRUJVTMAYCGYNU-FQEVSTJZSA-N 1 0 414.550 3.825 20 5 HHBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000464547878 988724597 /nfs/dbraw/zinc/72/45/97/988724597.db2.gz JTQCZCGOECCIRG-CEXWTWQISA-N 1 0 416.566 3.881 20 5 HHBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000464547874 988724800 /nfs/dbraw/zinc/72/48/00/988724800.db2.gz JTJZPHJRNNQBQX-ROUUACIJSA-N 1 0 402.539 3.635 20 5 HHBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000464566144 988742768 /nfs/dbraw/zinc/74/27/68/988742768.db2.gz BVJXZXMOVFLORH-CQSZACIVSA-N 1 0 416.444 3.606 20 5 HHBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000464673196 988871629 /nfs/dbraw/zinc/87/16/29/988871629.db2.gz XPIWUWAEVMHIKL-CQSZACIVSA-N 1 0 416.444 3.606 20 5 HHBDRO CN(c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470872907 988941570 /nfs/dbraw/zinc/94/15/70/988941570.db2.gz LOAPTUWUKLNKNL-OAQYLSRUSA-N 1 0 422.529 3.932 20 5 HHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCOc3ccc4c(c3)OCO4)CC2)cc1 ZINC000464780852 989007319 /nfs/dbraw/zinc/00/73/19/989007319.db2.gz XMRZIDHOPFZDIJ-UHFFFAOYSA-N 1 0 400.431 3.636 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000471003089 989070251 /nfs/dbraw/zinc/07/02/51/989070251.db2.gz CDJKNGAEBHGERS-ZWKOTPCHSA-N 1 0 412.412 3.788 20 5 HHBDRO Cc1ccc([C@@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c2ccccn2)cc1 ZINC000471081027 989175852 /nfs/dbraw/zinc/17/58/52/989175852.db2.gz ZTBVSDVELCMKDI-JOCHJYFZSA-N 1 0 418.453 3.975 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000471270834 989419273 /nfs/dbraw/zinc/41/92/73/989419273.db2.gz VWGHNMMCAGAKDM-OAHLLOKOSA-N 1 0 407.392 3.866 20 5 HHBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2)C1 ZINC000465199010 989541730 /nfs/dbraw/zinc/54/17/30/989541730.db2.gz WNLNGBJRZSUUPF-KRWDZBQOSA-N 1 0 422.485 3.909 20 5 HHBDRO C[C@H](CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000471457337 989643647 /nfs/dbraw/zinc/64/36/47/989643647.db2.gz DXZPXNRVKAAQBR-QGZVFWFLSA-N 1 0 421.501 3.636 20 5 HHBDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)c1ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c1)CC2 ZINC000465354741 989703683 /nfs/dbraw/zinc/70/36/83/989703683.db2.gz CUTTYZLBBGLKNT-RLLQIKCJSA-N 1 0 414.550 3.918 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000471589679 989793412 /nfs/dbraw/zinc/79/34/12/989793412.db2.gz HEENMCYGUVQEGM-HNNXBMFYSA-N 1 0 411.458 3.548 20 5 HHBDRO CC[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c2)CC1 ZINC000471634613 989841690 /nfs/dbraw/zinc/84/16/90/989841690.db2.gz NFYXZRRMKUWHPQ-HNNXBMFYSA-N 1 0 400.454 3.618 20 5 HHBDRO CC[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000471656951 989859687 /nfs/dbraw/zinc/85/96/87/989859687.db2.gz VHWVQQGOCRTDIL-MRXNPFEDSA-N 1 0 414.531 3.856 20 5 HHBDRO COc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000465709877 990095531 /nfs/dbraw/zinc/09/55/31/990095531.db2.gz OSONCJIRKDHBGI-KXBFYZLASA-N 1 0 418.519 3.547 20 5 HHBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000466073005 991245837 /nfs/dbraw/zinc/24/58/37/991245837.db2.gz CBVOLIHRUNGOPJ-DNVCBOLYSA-N 1 0 402.520 3.881 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000466081731 991257779 /nfs/dbraw/zinc/25/77/79/991257779.db2.gz UHTDTZAUQUPHII-APWZRJJASA-N 1 0 402.520 3.581 20 5 HHBDRO Cc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1NC(=O)CC[NH+](C)C ZINC000466251134 991489349 /nfs/dbraw/zinc/48/93/49/991489349.db2.gz OREMTSLYSUZCNM-UHFFFAOYSA-N 1 0 416.503 3.524 20 5 HHBDRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000466296007 991547267 /nfs/dbraw/zinc/54/72/67/991547267.db2.gz GCMOSJNRKBZDEQ-UHFFFAOYSA-N 1 0 414.437 3.801 20 5 HHBDRO Cc1ccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000466451016 991741615 /nfs/dbraw/zinc/74/16/15/991741615.db2.gz CNDHDUCGRXDCJT-INIZCTEOSA-N 1 0 407.392 3.813 20 5 HHBDRO Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1NC(=O)CC[NH+](C)C ZINC000466521280 991813639 /nfs/dbraw/zinc/81/36/39/991813639.db2.gz WNYURJXFANKFTM-UHFFFAOYSA-N 1 0 404.854 3.699 20 5 HHBDRO Cc1sc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000467081701 992387511 /nfs/dbraw/zinc/38/75/11/992387511.db2.gz NDMXVAJCLMNXBL-WMLDXEAASA-N 1 0 423.560 3.638 20 5 HHBDRO COCc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000467127605 992444753 /nfs/dbraw/zinc/44/47/53/992444753.db2.gz VTZMBMNRAWOLFM-QGZVFWFLSA-N 1 0 403.435 3.509 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](C[C@@H]4CCC5(CCCCC5)O4)CC3)nc2c1 ZINC000467203462 992529060 /nfs/dbraw/zinc/52/90/60/992529060.db2.gz YJZRKFNZHZOCIE-SFHVURJKSA-N 1 0 413.522 3.865 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467215294 992539592 /nfs/dbraw/zinc/53/95/92/992539592.db2.gz GWPVDRSVQZGJRU-IFXJQAMLSA-N 1 0 402.882 3.568 20 5 HHBDRO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000467351816 992670560 /nfs/dbraw/zinc/67/05/60/992670560.db2.gz CRSYTWDGBCJCDW-ZDUSSCGKSA-N 1 0 416.421 3.608 20 5 HHBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000467539416 992818777 /nfs/dbraw/zinc/81/87/77/992818777.db2.gz HHWFRUNWAZHKJJ-NRFANRHFSA-N 1 0 402.447 3.647 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000467554445 992834899 /nfs/dbraw/zinc/83/48/99/992834899.db2.gz PIPXVPMUQGMANV-KRWDZBQOSA-N 1 0 406.870 3.868 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000467687992 992944643 /nfs/dbraw/zinc/94/46/43/992944643.db2.gz KEAIPDJNDWIVRO-CZUORRHYSA-N 1 0 418.291 3.750 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000472510996 993506584 /nfs/dbraw/zinc/50/65/84/993506584.db2.gz AKXWLCDMZZSDND-ROUUACIJSA-N 1 0 411.502 3.637 20 5 HHBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC1CC([NH+]2CCCCC2)C1 ZINC000480839437 993715201 /nfs/dbraw/zinc/71/52/01/993715201.db2.gz BMDGCOSQJCKNDD-UHFFFAOYSA-N 1 0 405.296 3.756 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000480913233 993768544 /nfs/dbraw/zinc/76/85/44/993768544.db2.gz WBNHCOCOMQBLEU-CYBMUJFWSA-N 1 0 406.280 3.746 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000480916371 993771439 /nfs/dbraw/zinc/77/14/39/993771439.db2.gz ZFWAHRYVYQSJMG-CYBMUJFWSA-N 1 0 406.280 3.746 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000480987136 993828902 /nfs/dbraw/zinc/82/89/02/993828902.db2.gz GJOXDVRPXRTFFG-LPHOPBHVSA-N 1 0 417.531 3.543 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCSC4(CCOCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000473068974 993989721 /nfs/dbraw/zinc/98/97/21/993989721.db2.gz CBQCPHYKUDJBBH-UHFFFAOYSA-N 1 0 404.488 3.961 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4cc(-c5ccccc5)no4)CC3)nc2c1 ZINC000481176418 994007148 /nfs/dbraw/zinc/00/71/48/994007148.db2.gz OKXPBISTXAVMCL-UHFFFAOYSA-N 1 0 418.457 3.838 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000481298921 994114382 /nfs/dbraw/zinc/11/43/82/994114382.db2.gz CUKORNMNZCXWAA-QFIPXVFZSA-N 1 0 410.474 3.733 20 5 HHBDRO COc1ccc(NC(=O)C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c([N+](=O)[O-])c1 ZINC000481326164 994145578 /nfs/dbraw/zinc/14/55/78/994145578.db2.gz APMPFSPBHSCYNS-LJQANCHMSA-N 1 0 412.490 3.973 20 5 HHBDRO COC(=O)[C@H]1CCCCCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000481401279 994233857 /nfs/dbraw/zinc/23/38/57/994233857.db2.gz IXDKOCVYQWZPQU-ROUUACIJSA-N 1 0 401.463 3.894 20 5 HHBDRO Cc1c(CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000481461276 994295930 /nfs/dbraw/zinc/29/59/30/994295930.db2.gz BCEDTQNVZCKWGC-HXUWFJFHSA-N 1 0 421.419 3.974 20 5 HHBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473497963 994344191 /nfs/dbraw/zinc/34/41/91/994344191.db2.gz MTOBJQLHRAVYMT-QHCPKHFHSA-N 1 0 408.502 3.521 20 5 HHBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473505225 994354688 /nfs/dbraw/zinc/35/46/88/994354688.db2.gz PQTDKHWLQCLHBZ-XMMPIXPASA-N 1 0 422.529 3.912 20 5 HHBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473505223 994355034 /nfs/dbraw/zinc/35/50/34/994355034.db2.gz PQTDKHWLQCLHBZ-DEOSSOPVSA-N 1 0 422.529 3.912 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000473518090 994371405 /nfs/dbraw/zinc/37/14/05/994371405.db2.gz JLGJMMOXRJVBBR-UHFFFAOYSA-N 1 0 419.831 3.712 20 5 HHBDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000473517931 994372031 /nfs/dbraw/zinc/37/20/31/994372031.db2.gz BZKGBHUBTLKONF-UHFFFAOYSA-N 1 0 405.804 3.783 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1SC ZINC000473556138 994419645 /nfs/dbraw/zinc/41/96/45/994419645.db2.gz UPOJSIDUHKZQGD-UHFFFAOYSA-N 1 0 407.536 3.852 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000481759539 994612434 /nfs/dbraw/zinc/61/24/34/994612434.db2.gz GWXLBZGTCLBGDX-ZBFHGGJFSA-N 1 0 402.438 3.931 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC[C@H](c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000481807353 994655521 /nfs/dbraw/zinc/65/55/21/994655521.db2.gz BYYAOEGALRHBJJ-HOTGVXAUSA-N 1 0 402.422 3.712 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1 ZINC000481819341 994669590 /nfs/dbraw/zinc/66/95/90/994669590.db2.gz ADLLWNQWLCTSEK-HZPDHXFCSA-N 1 0 406.866 3.775 20 5 HHBDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)cc2)CC1 ZINC000481830991 994681660 /nfs/dbraw/zinc/68/16/60/994681660.db2.gz RCJCZRZGCKGQQJ-UHFFFAOYSA-N 1 0 407.474 3.633 20 5 HHBDRO Cc1cc(NC(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000473770694 994690937 /nfs/dbraw/zinc/69/09/37/994690937.db2.gz MOIFCQFIGXWFSQ-HNNXBMFYSA-N 1 0 415.469 3.677 20 5 HHBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482002421 994904214 /nfs/dbraw/zinc/90/42/14/994904214.db2.gz XQBDMEXRVIPFBU-MRXNPFEDSA-N 1 0 411.911 3.706 20 5 HHBDRO COc1cccc([C@H]2[C@H](NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC[N@@H+]2C2CC2)c1 ZINC000482042754 994962837 /nfs/dbraw/zinc/96/28/37/994962837.db2.gz CUZYBKSPMJPQPB-GCJKJVERSA-N 1 0 420.469 3.793 20 5 HHBDRO COc1cccc([C@@H]2[C@H](NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)CC[N@@H+]2C2CC2)c1 ZINC000482102897 995048866 /nfs/dbraw/zinc/04/88/66/995048866.db2.gz MCJMYDXLKJHNJJ-FGZHOGPDSA-N 1 0 420.469 3.793 20 5 HHBDRO CC(C)c1ccc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000474178833 995168697 /nfs/dbraw/zinc/16/86/97/995168697.db2.gz RJOOEBAENRMDQP-UHFFFAOYSA-N 1 0 403.523 3.683 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000474356902 995336753 /nfs/dbraw/zinc/33/67/53/995336753.db2.gz OQBDLDYEFRUGRP-ZIAGYGMSSA-N 1 0 404.385 3.605 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000474508544 995468905 /nfs/dbraw/zinc/46/89/05/995468905.db2.gz HZLMDACQWBMREA-ROUUACIJSA-N 1 0 422.529 3.819 20 5 HHBDRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000482501777 995511761 /nfs/dbraw/zinc/51/17/61/995511761.db2.gz CTIRLHPBZKMFNA-IAGOWNOFSA-N 1 0 404.488 3.866 20 5 HHBDRO CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474744030 995677813 /nfs/dbraw/zinc/67/78/13/995677813.db2.gz DQPVCIIFAPCRGC-INIZCTEOSA-N 1 0 420.416 3.934 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1SC ZINC000482707730 995695665 /nfs/dbraw/zinc/69/56/65/995695665.db2.gz RWMNZCQDAOVIKW-UHFFFAOYSA-N 1 0 415.515 3.504 20 5 HHBDRO CSc1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000482748080 995722717 /nfs/dbraw/zinc/72/27/17/995722717.db2.gz GDBLUWVMKRBZAZ-UHFFFAOYSA-N 1 0 409.577 3.798 20 5 HHBDRO CCNc1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000482800338 995757486 /nfs/dbraw/zinc/75/74/86/995757486.db2.gz FYEOZPLMGVLEMN-UHFFFAOYSA-N 1 0 406.552 3.508 20 5 HHBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000475450840 996148876 /nfs/dbraw/zinc/14/88/76/996148876.db2.gz DPVOYNVSUNFVRR-FQEVSTJZSA-N 1 0 424.501 3.665 20 5 HHBDRO C[C@@H]1CCC[C@@H]([N@H+](Cc2c([N+](=O)[O-])ncn2C)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000475524610 996200735 /nfs/dbraw/zinc/20/07/35/996200735.db2.gz ALWPWINLMBOWFM-BFYDXBDKSA-N 1 0 400.479 3.884 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1SC ZINC000483470790 996201193 /nfs/dbraw/zinc/20/11/93/996201193.db2.gz PFRJYCBRBLSAIE-HOCLYGCPSA-N 1 0 415.515 3.891 20 5 HHBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)c1ccco1 ZINC000483548325 996244282 /nfs/dbraw/zinc/24/42/82/996244282.db2.gz KQRGEDAOWVNYHW-LRDDRELGSA-N 1 0 418.450 3.534 20 5 HHBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483591790 996272062 /nfs/dbraw/zinc/27/20/62/996272062.db2.gz KUCMUMHVCSLVHP-CTNGQTDRSA-N 1 0 408.502 3.520 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000475649319 996276316 /nfs/dbraw/zinc/27/63/16/996276316.db2.gz WVPUSIIWNINCHR-UHFFFAOYSA-N 1 0 400.479 3.864 20 5 HHBDRO Cc1ccc(CNC(=O)C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000475736281 996335067 /nfs/dbraw/zinc/33/50/67/996335067.db2.gz YAWNRRZPZAQIBV-UHFFFAOYSA-N 1 0 411.502 3.701 20 5 HHBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000483844778 996422429 /nfs/dbraw/zinc/42/24/29/996422429.db2.gz FUTZRHXJBHANDC-UHFFFAOYSA-N 1 0 405.401 3.722 20 5 HHBDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000484634923 996969856 /nfs/dbraw/zinc/96/98/56/996969856.db2.gz HQCBDPTVMQYXHJ-PZJWPPBQSA-N 1 0 418.515 3.657 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2Oc2ccccc2C)c([N+](=O)[O-])c1 ZINC000484653806 996990778 /nfs/dbraw/zinc/99/07/78/996990778.db2.gz PFKRDXDUDNDGPF-NQIIRXRSSA-N 1 0 413.474 3.830 20 5 HHBDRO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000484705312 997043762 /nfs/dbraw/zinc/04/37/62/997043762.db2.gz QHHGTAWSTOYPGA-BCOMRZATSA-N 1 0 412.515 3.646 20 5 HHBDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000484890569 997256797 /nfs/dbraw/zinc/25/67/97/997256797.db2.gz ORTORZFRWHRMIJ-UHFFFAOYSA-N 1 0 402.520 3.558 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000484936015 997313104 /nfs/dbraw/zinc/31/31/04/997313104.db2.gz HUAPQTPOCCCGDE-OALUTQOASA-N 1 0 413.905 3.771 20 5 HHBDRO CCNc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000484949309 997327757 /nfs/dbraw/zinc/32/77/57/997327757.db2.gz MUDXJZLEVLTXPO-PMACEKPBSA-N 1 0 408.502 3.621 20 5 HHBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485081176 997452005 /nfs/dbraw/zinc/45/20/05/997452005.db2.gz UYCUTKGRAQKCHH-CQSZACIVSA-N 1 0 411.430 3.825 20 5 HHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000485349279 997770344 /nfs/dbraw/zinc/77/03/44/997770344.db2.gz LIQOSZDARZQUCE-RRPUWOKSSA-N 1 0 422.529 3.999 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000477381382 998068247 /nfs/dbraw/zinc/06/82/47/998068247.db2.gz CISIFQIJOPFCTN-GFCCVEGCSA-N 1 0 409.845 3.533 20 5 HHBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+](C)Cc1ccccc1 ZINC000485749700 998221021 /nfs/dbraw/zinc/22/10/21/998221021.db2.gz ZSPONSZHTCKHIV-CQSZACIVSA-N 1 0 407.417 3.837 20 5 HHBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000486063084 998511435 /nfs/dbraw/zinc/51/14/35/998511435.db2.gz HZSKNJFCAPYCJG-UWWQBHOKSA-N 1 0 406.504 3.794 20 5 HHBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cccc(SC)c2[N+](=O)[O-])c1 ZINC000486134496 998582779 /nfs/dbraw/zinc/58/27/79/998582779.db2.gz GJCFCUKVDSAZGR-UHFFFAOYSA-N 1 0 403.504 3.529 20 5 HHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000486300803 998702547 /nfs/dbraw/zinc/70/25/47/998702547.db2.gz VAALPIALYZLJJM-KXBFYZLASA-N 1 0 416.909 3.925 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478054075 998738553 /nfs/dbraw/zinc/73/85/53/998738553.db2.gz PATPQNIZHWTTES-GOSISDBHSA-N 1 0 402.539 3.818 20 5 HHBDRO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1[N+](=O)[O-] ZINC000486438206 998768485 /nfs/dbraw/zinc/76/84/85/998768485.db2.gz YOYRCOFNHVLBHT-VGOFRKELSA-N 1 0 421.457 3.602 20 5 HHBDRO C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487285113 999124226 /nfs/dbraw/zinc/12/42/26/999124226.db2.gz HPOKNCHHPWNBBP-VQIMIIECSA-N 1 0 408.502 3.810 20 5 HHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000487713658 999262215 /nfs/dbraw/zinc/26/22/15/999262215.db2.gz CNPJEBGWWBGTMU-ZFWWWQNUSA-N 1 0 405.401 3.762 20 5 HHBDRO O=C(c1cc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000487975242 999333271 /nfs/dbraw/zinc/33/32/71/999333271.db2.gz NOEFRJYPYOKZLX-HXUWFJFHSA-N 1 0 422.529 3.807 20 5 HHBDRO Cc1ccc(-n2cnc3c2CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C3)cc1 ZINC000488035381 999355046 /nfs/dbraw/zinc/35/50/46/999355046.db2.gz NMDKVLPBZZUAQZ-UHFFFAOYSA-N 1 0 419.485 3.784 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000488074734 999368344 /nfs/dbraw/zinc/36/83/44/999368344.db2.gz ZHJUVBFNWXMYAR-INIZCTEOSA-N 1 0 421.563 3.668 20 5 HHBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C1 ZINC000488295321 999427416 /nfs/dbraw/zinc/42/74/16/999427416.db2.gz ONYALAIQOCHRTG-MRXNPFEDSA-N 1 0 423.579 3.964 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000488410781 999479484 /nfs/dbraw/zinc/47/94/84/999479484.db2.gz MKYYUFVBNJAQJY-UHFFFAOYSA-N 1 0 423.441 3.997 20 5 HHBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000479830573 999615974 /nfs/dbraw/zinc/61/59/74/999615974.db2.gz KRKXZXGZCOSUSI-QGZVFWFLSA-N 1 0 419.485 3.736 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)C1CC1 ZINC000479851266 999624698 /nfs/dbraw/zinc/62/46/98/999624698.db2.gz MPHWWAKPWWFJEX-QUCCMNQESA-N 1 0 401.532 3.641 20 5 HHBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000479863587 999629386 /nfs/dbraw/zinc/62/93/86/999629386.db2.gz ULGLYEMMUMRSAD-UHFFFAOYSA-N 1 0 408.502 3.959 20 5 HHBDRO O=C(CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1c(Cl)cccc1Cl ZINC000488983308 999664038 /nfs/dbraw/zinc/66/40/38/999664038.db2.gz QYQAVQAQDZDDNZ-UHFFFAOYSA-N 1 0 412.277 3.764 20 5 HHBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489029326 999677163 /nfs/dbraw/zinc/67/71/63/999677163.db2.gz YBGSULCVNINLHZ-UHFFFAOYSA-N 1 0 407.417 3.920 20 5 HHBDRO CCC(=O)c1ccc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000479996145 999679835 /nfs/dbraw/zinc/67/98/35/999679835.db2.gz XESFEBKFZCIULS-UHFFFAOYSA-N 1 0 401.492 3.732 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)C1CC1 ZINC000480085488 999713171 /nfs/dbraw/zinc/71/31/71/999713171.db2.gz LPQDLOGDWSQEEV-GGAORHGYSA-N 1 0 413.493 3.718 20 5 HHBDRO COc1cccc2c1CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])CC2 ZINC000489590602 999798633 /nfs/dbraw/zinc/79/86/33/999798633.db2.gz ZRXHRIHWQFLPOE-UHFFFAOYSA-N 1 0 408.401 3.814 20 5 HHBDRO CC[N@H+](Cc1ccc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1)C1CC1 ZINC000489753679 999831500 /nfs/dbraw/zinc/83/15/00/999831500.db2.gz MWKJJSFZXYAAGO-UHFFFAOYSA-N 1 0 411.458 3.926 20 5 HHBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000490399500 999951471 /nfs/dbraw/zinc/95/14/71/999951471.db2.gz LEECSJQZJGUCOK-UHFFFAOYSA-N 1 0 409.552 3.909 20 5 HHBDRO COc1cc(C[N@H+](C)CCc2ncc(C)s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490435678 999957421 /nfs/dbraw/zinc/95/74/21/999957421.db2.gz RBJAXWSJHZCUMW-UHFFFAOYSA-N 1 0 401.435 3.687 20 5 HHBDRO CO[C@H](C)c1nc(CN2CCCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)cs1 ZINC000490569937 999978889 /nfs/dbraw/zinc/97/88/89/999978889.db2.gz RBFWEVORYFZXPV-CQSZACIVSA-N 1 0 408.499 3.606 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491061537 1000041006 /nfs/dbraw/zinc/04/10/06/1000041006.db2.gz RLALUEMGZZSVHT-HNNXBMFYSA-N 1 0 421.444 3.863 20 5 HHBDRO COc1cc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491061539 1000041050 /nfs/dbraw/zinc/04/10/50/1000041050.db2.gz RLALUEMGZZSVHT-OAHLLOKOSA-N 1 0 421.444 3.863 20 5 HHBDRO C[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000491084937 1000043778 /nfs/dbraw/zinc/04/37/78/1000043778.db2.gz KTNBGMIWJCOBKN-GOSISDBHSA-N 1 0 419.485 3.517 20 5 HHBDRO C[C@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000491084938 1000043868 /nfs/dbraw/zinc/04/38/68/1000043868.db2.gz KTNBGMIWJCOBKN-SFHVURJKSA-N 1 0 419.485 3.517 20 5 HHBDRO COc1cc(CN2CCCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491128900 1000048212 /nfs/dbraw/zinc/04/82/12/1000048212.db2.gz BJZQZHDNBQMFFD-INIZCTEOSA-N 1 0 413.465 3.698 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000491521819 1000080922 /nfs/dbraw/zinc/08/09/22/1000080922.db2.gz OUHHSSXGVSDOPI-IBGZPJMESA-N 1 0 423.391 3.997 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000492515856 1000130419 /nfs/dbraw/zinc/13/04/19/1000130419.db2.gz SDCGOMYKTIHFJD-HNNXBMFYSA-N 1 0 418.881 3.893 20 5 HHBDRO CCOc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000492579579 1000133589 /nfs/dbraw/zinc/13/35/89/1000133589.db2.gz AZMVEQBJYHGFHZ-GOSISDBHSA-N 1 0 401.507 3.608 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493622871 1000181728 /nfs/dbraw/zinc/18/17/28/1000181728.db2.gz LUJVUXYLYCWEFA-DYVFJYSZSA-N 1 0 402.438 3.931 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000493923906 1000216745 /nfs/dbraw/zinc/21/67/45/1000216745.db2.gz FUODKCNWGGYKPK-YLJYHZDGSA-N 1 0 405.401 3.630 20 5 HHBDRO O=C(C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000493932503 1000222369 /nfs/dbraw/zinc/22/23/69/1000222369.db2.gz BXUQTWSJTUZHEY-FUHWJXTLSA-N 1 0 411.792 3.585 20 5 HHBDRO O=C(C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000493952443 1000234381 /nfs/dbraw/zinc/23/43/81/1000234381.db2.gz KVFLCJJRCFXBRU-YJBOKZPZSA-N 1 0 411.792 3.585 20 5 HHBDRO O=C(NCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000494058597 1000287899 /nfs/dbraw/zinc/28/78/99/1000287899.db2.gz YZDMMXMAXKIGBX-NRFANRHFSA-N 1 0 411.408 3.982 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cc1ccccc1 ZINC000494211883 1000365738 /nfs/dbraw/zinc/36/57/38/1000365738.db2.gz JBZNAJJWTRNIJS-GOSISDBHSA-N 1 0 424.423 3.586 20 5 HHBDRO CCOc1cc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000494258057 1000394092 /nfs/dbraw/zinc/39/40/92/1000394092.db2.gz XBSQGJCSDRHFTN-JXFKEZNVSA-N 1 0 403.866 3.709 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000504906385 1000440112 /nfs/dbraw/zinc/44/01/12/1000440112.db2.gz XGYPVMUXJCOFSX-YLJYHZDGSA-N 1 0 411.502 3.878 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000504911857 1000443516 /nfs/dbraw/zinc/44/35/16/1000443516.db2.gz MUDOQSUCDLZATK-KRWDZBQOSA-N 1 0 408.545 3.800 20 5 HHBDRO C[N@H+](CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cc1ccccc1 ZINC000494352870 1000449145 /nfs/dbraw/zinc/44/91/45/1000449145.db2.gz SMPNCVMOGHGETI-UHFFFAOYSA-N 1 0 410.396 3.545 20 5 HHBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494415434 1000481473 /nfs/dbraw/zinc/48/14/73/1000481473.db2.gz YNBQSRMNMFMSPH-QWHCGFSZSA-N 1 0 402.417 3.533 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000494480179 1000515156 /nfs/dbraw/zinc/51/51/56/1000515156.db2.gz QYYVIPFFQVJJDV-AWEZNQCLSA-N 1 0 418.444 3.506 20 5 HHBDRO O=C1[C@H]([NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000494492784 1000522120 /nfs/dbraw/zinc/52/21/20/1000522120.db2.gz MGKBZHVVVNHLAR-OTWHNJEPSA-N 1 0 419.840 3.612 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000494597350 1000568240 /nfs/dbraw/zinc/56/82/40/1000568240.db2.gz OUXUFFWNMNGAEG-UHFFFAOYSA-N 1 0 403.866 3.651 20 5 HHBDRO C[NH+](C)Cc1cccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000494652810 1000590099 /nfs/dbraw/zinc/59/00/99/1000590099.db2.gz DOQUUPLRHZLCCP-UHFFFAOYSA-N 1 0 410.396 3.675 20 5 HHBDRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494663656 1000594023 /nfs/dbraw/zinc/59/40/23/1000594023.db2.gz WKOFRUQXLDPYCV-AWEZNQCLSA-N 1 0 423.922 3.981 20 5 HHBDRO C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000494676037 1000599164 /nfs/dbraw/zinc/59/91/64/1000599164.db2.gz XMPRIQOUCWQUAB-CYBMUJFWSA-N 1 0 402.417 3.535 20 5 HHBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000494680249 1000600679 /nfs/dbraw/zinc/60/06/79/1000600679.db2.gz MRLKULAXOCLJOP-IRXDYDNUSA-N 1 0 400.422 3.685 20 5 HHBDRO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)C[C@@H]1CCCCO1 ZINC000494771196 1000645235 /nfs/dbraw/zinc/64/52/35/1000645235.db2.gz SEEBPUSQOUUAAS-BBRMVZONSA-N 1 0 404.492 3.546 20 5 HHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)c2ccccc2)c1 ZINC000494969374 1000757223 /nfs/dbraw/zinc/75/72/23/1000757223.db2.gz MBPCARREFBOVJL-CCDWMCETSA-N 1 0 417.509 3.909 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000495007853 1000775780 /nfs/dbraw/zinc/77/57/80/1000775780.db2.gz PUAPSEFMBYKQDK-XLIONFOSSA-N 1 0 408.502 3.932 20 5 HHBDRO COc1cc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000495105351 1000844016 /nfs/dbraw/zinc/84/40/16/1000844016.db2.gz BNDKHKHHJOBKHF-TZIWHRDSSA-N 1 0 411.502 3.708 20 5 HHBDRO COc1ccc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000495111585 1000846884 /nfs/dbraw/zinc/84/68/84/1000846884.db2.gz XHBRLICSOLXGML-FPOVZHCZSA-N 1 0 411.502 3.708 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-])c1ccccn1 ZINC000505662125 1000962128 /nfs/dbraw/zinc/96/21/28/1000962128.db2.gz VUEHGEBLOWBPHA-GAJHUEQPSA-N 1 0 423.517 3.721 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000495350461 1000978932 /nfs/dbraw/zinc/97/89/32/1000978932.db2.gz GNQIBHDREQJAHF-GOSISDBHSA-N 1 0 421.563 3.670 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000495383533 1000992382 /nfs/dbraw/zinc/99/23/82/1000992382.db2.gz HYSSSSXWLGIQPM-UHFFFAOYSA-N 1 0 419.485 3.517 20 5 HHBDRO Cc1cccc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c1[N+](=O)[O-] ZINC000505785778 1001022737 /nfs/dbraw/zinc/02/27/37/1001022737.db2.gz WSIPVMAFHCTQGG-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO COC(=O)C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000505859118 1001065229 /nfs/dbraw/zinc/06/52/29/1001065229.db2.gz PSUSBEFKGXYKKO-UHFFFAOYSA-N 1 0 420.469 3.833 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000505919798 1001101362 /nfs/dbraw/zinc/10/13/62/1001101362.db2.gz VOCVIFWPKCUSKO-MSOLQXFVSA-N 1 0 411.506 3.507 20 5 HHBDRO CCOc1cc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])cc1OC ZINC000505946227 1001119327 /nfs/dbraw/zinc/11/93/27/1001119327.db2.gz FUQMKVCVIHQTPW-IAGOWNOFSA-N 1 0 419.522 3.729 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000496787005 1001228338 /nfs/dbraw/zinc/22/83/38/1001228338.db2.gz XJKGOVOGWOXYFC-UHFFFAOYSA-N 1 0 403.504 3.956 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(Br)c1 ZINC000497101807 1001270393 /nfs/dbraw/zinc/27/03/93/1001270393.db2.gz ZAJKTVZGFKUYDT-CRAIPNDOSA-N 1 0 420.307 3.652 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497352500 1001304763 /nfs/dbraw/zinc/30/47/63/1001304763.db2.gz NGOKUTJAAABJDC-KDOFPFPSSA-N 1 0 419.428 3.837 20 5 HHBDRO C[N@H+](Cc1ccccc1NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000506355931 1001374091 /nfs/dbraw/zinc/37/40/91/1001374091.db2.gz MSGGTHSSQDFMHX-UHFFFAOYSA-N 1 0 424.501 3.614 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000506364443 1001379001 /nfs/dbraw/zinc/37/90/01/1001379001.db2.gz RVFWUIRXRVHZEO-UHFFFAOYSA-N 1 0 409.552 3.716 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506475686 1001429722 /nfs/dbraw/zinc/42/97/22/1001429722.db2.gz YIGJASHWVZFMMQ-QZTJIDSGSA-N 1 0 418.538 3.518 20 5 HHBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(OC)c1 ZINC000506601949 1001468385 /nfs/dbraw/zinc/46/83/85/1001468385.db2.gz NLEFZXMMZKWELL-GOEBONIOSA-N 1 0 401.463 3.988 20 5 HHBDRO O=C(NC1CC1)c1ccc(N2CCC[N@H+](CCCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000506795941 1001534937 /nfs/dbraw/zinc/53/49/37/1001534937.db2.gz OAVDIENWUVCVGN-UHFFFAOYSA-N 1 0 422.529 3.632 20 5 HHBDRO CC[NH+]1CCN(c2ccc(Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)c(C)c2)CC1 ZINC000506802332 1001537735 /nfs/dbraw/zinc/53/77/35/1001537735.db2.gz BAHSBJNRHFWPRW-UHFFFAOYSA-N 1 0 409.490 3.673 20 5 HHBDRO CCNc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000497902630 1001558070 /nfs/dbraw/zinc/55/80/70/1001558070.db2.gz YUQNYITVFIWXEN-UHFFFAOYSA-N 1 0 404.898 3.884 20 5 HHBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000506896712 1001585264 /nfs/dbraw/zinc/58/52/64/1001585264.db2.gz UZGLCUGIPQBSAA-IRXDYDNUSA-N 1 0 411.506 3.767 20 5 HHBDRO COC(=O)[C@@H](C)C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000507098427 1001807449 /nfs/dbraw/zinc/80/74/49/1001807449.db2.gz QMRHUKOAYZUHNC-KRWDZBQOSA-N 1 0 422.485 3.807 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000498409252 1001837415 /nfs/dbraw/zinc/83/74/15/1001837415.db2.gz KDFHJYINUVEDPB-AEFFLSMTSA-N 1 0 404.470 3.926 20 5 HHBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2)CC1 ZINC000498495069 1001919865 /nfs/dbraw/zinc/91/98/65/1001919865.db2.gz JZVDOLKDZQJMIS-IBGZPJMESA-N 1 0 414.550 3.779 20 5 HHBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)CC1 ZINC000498507626 1001930023 /nfs/dbraw/zinc/93/00/23/1001930023.db2.gz CYTBIRTWWMDVDA-QGZVFWFLSA-N 1 0 400.523 3.753 20 5 HHBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)CC1 ZINC000498507622 1001930049 /nfs/dbraw/zinc/93/00/49/1001930049.db2.gz CYTBIRTWWMDVDA-KRWDZBQOSA-N 1 0 400.523 3.753 20 5 HHBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507568661 1002172908 /nfs/dbraw/zinc/17/29/08/1002172908.db2.gz QFRIRXFFSJIKTM-INIZCTEOSA-N 1 0 407.474 3.877 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507602077 1002208570 /nfs/dbraw/zinc/20/85/70/1002208570.db2.gz GTMUBVJFOZWWBZ-UHFFFAOYSA-N 1 0 407.474 3.796 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000507624651 1002228273 /nfs/dbraw/zinc/22/82/73/1002228273.db2.gz LGAUSKOZLLBOFL-DNVCBOLYSA-N 1 0 409.465 3.918 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CC[NH+]2CCC1CC2 ZINC000507857558 1002394488 /nfs/dbraw/zinc/39/44/88/1002394488.db2.gz ALIQNOXQFCMYOT-UHFFFAOYSA-N 1 0 414.893 3.781 20 5 HHBDRO COc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000499147520 1002531121 /nfs/dbraw/zinc/53/11/21/1002531121.db2.gz FGFNSLCDYPYHCI-INIZCTEOSA-N 1 0 423.416 3.546 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000499336134 1002739372 /nfs/dbraw/zinc/73/93/72/1002739372.db2.gz PNMRHBBEWGCMNL-INIZCTEOSA-N 1 0 414.481 3.675 20 5 HHBDRO CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499530439 1002917942 /nfs/dbraw/zinc/91/79/42/1002917942.db2.gz PSJAPJRJBXRGDP-UHFFFAOYSA-N 1 0 408.502 3.906 20 5 HHBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc21)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000508797137 1003225690 /nfs/dbraw/zinc/22/56/90/1003225690.db2.gz TWLVGCMLNQIVTA-HXUWFJFHSA-N 1 0 419.403 3.939 20 5 HHBDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000499890820 1003225848 /nfs/dbraw/zinc/22/58/48/1003225848.db2.gz USOMREINRGUPMS-UHFFFAOYSA-N 1 0 406.527 3.814 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000500006086 1003328722 /nfs/dbraw/zinc/32/87/22/1003328722.db2.gz CZXPYYOKVIKKEP-VQIMIIECSA-N 1 0 400.479 3.722 20 5 HHBDRO COCC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)(C)C ZINC000508996780 1003468868 /nfs/dbraw/zinc/46/88/68/1003468868.db2.gz PDTQAMXGPKXTBM-NHYWBVRUSA-N 1 0 405.417 3.981 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccc(CNc3ncnc4cccc([N+](=O)[O-])c43)cc2)C[C@@H](C)O1 ZINC000509054805 1003519374 /nfs/dbraw/zinc/51/93/74/1003519374.db2.gz RMACKHQWDTXLMP-HZPDHXFCSA-N 1 0 407.474 3.759 20 5 HHBDRO C[C@]1(C[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCOC1 ZINC000500290183 1003602534 /nfs/dbraw/zinc/60/25/34/1003602534.db2.gz MUUCRBAFGXZKNF-UYAOXDASSA-N 1 0 403.866 3.944 20 5 HHBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000500424890 1003708339 /nfs/dbraw/zinc/70/83/39/1003708339.db2.gz MZPGGZJILKMYPZ-OAQYLSRUSA-N 1 0 422.485 3.511 20 5 HHBDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000511830824 1003803128 /nfs/dbraw/zinc/80/31/28/1003803128.db2.gz SPCHPHVZNRGDOC-NUJGCVRESA-N 1 0 409.442 3.530 20 5 HHBDRO CC(C)[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1CCC(C)CC1 ZINC000509446294 1003867350 /nfs/dbraw/zinc/86/73/50/1003867350.db2.gz FQYOIPJQGMNLIX-JOCHJYFZSA-N 1 0 416.566 3.684 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ncc(I)s1 ZINC000511961163 1003922388 /nfs/dbraw/zinc/92/23/88/1003922388.db2.gz PYVYSEFGECLWRK-UHFFFAOYSA-N 1 0 423.663 3.642 20 5 HHBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000509767168 1004082140 /nfs/dbraw/zinc/08/21/40/1004082140.db2.gz SOAVCUNQTZNLIE-INIZCTEOSA-N 1 0 408.458 3.688 20 5 HHBDRO Cc1ccc([C@@H](C)NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000501072873 1004175849 /nfs/dbraw/zinc/17/58/49/1004175849.db2.gz JVOHPHRCPQMJOO-QGZVFWFLSA-N 1 0 411.506 3.917 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000501075448 1004180223 /nfs/dbraw/zinc/18/02/23/1004180223.db2.gz IKAUXPJXVMJSQA-HKUYNNGSSA-N 1 0 424.284 3.820 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] ZINC000512293793 1004197656 /nfs/dbraw/zinc/19/76/56/1004197656.db2.gz UUJNQHLLSSGIDT-DVECYGJZSA-N 1 0 422.529 3.828 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000510004545 1004259234 /nfs/dbraw/zinc/25/92/34/1004259234.db2.gz GDCGGUCCEFKTTP-GUYCJALGSA-N 1 0 422.323 3.755 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCC(CC[NH+]4CCOCC4)CC3)cs2)c1 ZINC000512427937 1004293681 /nfs/dbraw/zinc/29/36/81/1004293681.db2.gz OMEUAXHZGYMEAI-UHFFFAOYSA-N 1 0 416.547 3.653 20 5 HHBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000512527399 1004362248 /nfs/dbraw/zinc/36/22/48/1004362248.db2.gz RNJACSOCJOVNLZ-HNNXBMFYSA-N 1 0 401.463 3.602 20 5 HHBDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000510193358 1004387972 /nfs/dbraw/zinc/38/79/72/1004387972.db2.gz QECWNQWECBMNFV-LMMKCTJWSA-N 1 0 400.475 3.816 20 5 HHBDRO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000510272015 1004440267 /nfs/dbraw/zinc/44/02/67/1004440267.db2.gz WTLGDVTYXPJLRR-UHFFFAOYSA-N 1 0 423.517 3.568 20 5 HHBDRO CCOc1cc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000501499957 1004469775 /nfs/dbraw/zinc/46/97/75/1004469775.db2.gz IITMMCWYPNQOSR-GJZGRUSLSA-N 1 0 408.499 3.634 20 5 HHBDRO O=C([C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCSCC1 ZINC000512687185 1004494200 /nfs/dbraw/zinc/49/42/00/1004494200.db2.gz NPBSHHBTSYJWKB-GOSISDBHSA-N 1 0 417.556 3.863 20 5 HHBDRO CCOc1cc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000501534225 1004497650 /nfs/dbraw/zinc/49/76/50/1004497650.db2.gz KWGPPVYHDBETDQ-HUUCEWRRSA-N 1 0 408.499 3.777 20 5 HHBDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000512857657 1004619592 /nfs/dbraw/zinc/61/95/92/1004619592.db2.gz SDPQKWNNWGGUCS-PBHICJAKSA-N 1 0 423.560 3.521 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000510533956 1004665972 /nfs/dbraw/zinc/66/59/72/1004665972.db2.gz PMXSXSKDXUMKAL-HNNXBMFYSA-N 1 0 418.291 3.799 20 5 HHBDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000512898416 1004666518 /nfs/dbraw/zinc/66/65/18/1004666518.db2.gz BRGCKAPSHSOSFB-YJBOKZPZSA-N 1 0 423.560 3.521 20 5 HHBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[NH+](C)C ZINC000510536539 1004669568 /nfs/dbraw/zinc/66/95/68/1004669568.db2.gz GISGZJKLBIKPRK-IIBYNOLFSA-N 1 0 407.474 3.510 20 5 HHBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[NH+](C)C ZINC000510538568 1004671520 /nfs/dbraw/zinc/67/15/20/1004671520.db2.gz KUBUCIPQOBXJQZ-KKSFZXQISA-N 1 0 407.474 3.510 20 5 HHBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[NH+](C)C ZINC000510550488 1004686230 /nfs/dbraw/zinc/68/62/30/1004686230.db2.gz NPBIGJJRBUNGHW-IIBYNOLFSA-N 1 0 407.474 3.510 20 5 HHBDRO O=C(C[N@@H+](CCCO)[C@H]1CCc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000510646271 1004776542 /nfs/dbraw/zinc/77/65/42/1004776542.db2.gz JQFADILGRVHVLW-SFHVURJKSA-N 1 0 403.866 3.559 20 5 HHBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC000510683742 1004797401 /nfs/dbraw/zinc/79/74/01/1004797401.db2.gz RKLCBFKIYYOVAE-FQEVSTJZSA-N 1 0 419.865 3.945 20 5 HHBDRO CC(C)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)N1CCCCCC1 ZINC000513241745 1004877195 /nfs/dbraw/zinc/87/71/95/1004877195.db2.gz LNSAOYUFWAMPBP-UHFFFAOYSA-N 1 0 414.506 3.905 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NC[C@@H](C3CC3)[NH+](C)C)cc2[N+](=O)[O-])n1 ZINC000510929134 1004938170 /nfs/dbraw/zinc/93/81/70/1004938170.db2.gz BVGZDCVGFAAQST-HNNXBMFYSA-N 1 0 406.533 3.581 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513401999 1004945997 /nfs/dbraw/zinc/94/59/97/1004945997.db2.gz RFTDKBDHDVXMOI-UHFFFAOYSA-N 1 0 400.454 3.583 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513402394 1004946016 /nfs/dbraw/zinc/94/60/16/1004946016.db2.gz VUJQMSQTCRWBKB-UHFFFAOYSA-N 1 0 400.454 3.583 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(OCC(F)(F)F)cc1 ZINC000511076239 1005008415 /nfs/dbraw/zinc/00/84/15/1005008415.db2.gz WPBQXTFIFPRILA-UHFFFAOYSA-N 1 0 411.380 3.997 20 5 HHBDRO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511118660 1005026937 /nfs/dbraw/zinc/02/69/37/1005026937.db2.gz BGHGJPBRMTZWSP-ZDUSSCGKSA-N 1 0 411.380 3.995 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000513698739 1005086979 /nfs/dbraw/zinc/08/69/79/1005086979.db2.gz FDBBXYDCWOQOKW-CZUORRHYSA-N 1 0 405.401 3.762 20 5 HHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC000513735006 1005102057 /nfs/dbraw/zinc/10/20/57/1005102057.db2.gz IDTXKXLOYSBSDB-UHFFFAOYSA-N 1 0 407.417 3.968 20 5 HHBDRO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000513745905 1005106674 /nfs/dbraw/zinc/10/66/74/1005106674.db2.gz JUPANSMQMYUEET-UHFFFAOYSA-N 1 0 421.501 3.719 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1SC ZINC000511304153 1005116170 /nfs/dbraw/zinc/11/61/70/1005116170.db2.gz DOZQZVLWNFMCJT-UONOGXRCSA-N 1 0 407.536 3.708 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502562461 1005119677 /nfs/dbraw/zinc/11/96/77/1005119677.db2.gz GKFBOXWCYLQKLE-OAQYLSRUSA-N 1 0 417.893 3.877 20 5 HHBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000502623102 1005146055 /nfs/dbraw/zinc/14/60/55/1005146055.db2.gz LARDNGVEINYOMH-UHFFFAOYSA-N 1 0 409.490 3.928 20 5 HHBDRO Cc1nccn1CCCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000502708719 1005186870 /nfs/dbraw/zinc/18/68/70/1005186870.db2.gz YALSGBIOCVXLQB-UHFFFAOYSA-N 1 0 411.428 3.721 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)cc2[N+](=O)[O-])CC1 ZINC000502895309 1005263484 /nfs/dbraw/zinc/26/34/84/1005263484.db2.gz OXUVPWHOIFHGKX-HXUWFJFHSA-N 1 0 414.550 3.922 20 5 HHBDRO CC(C)[C@H](C)NC(=O)C1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000502912722 1005271565 /nfs/dbraw/zinc/27/15/65/1005271565.db2.gz SMERLUYNXFQDDO-GJZGRUSLSA-N 1 0 415.494 3.579 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)o2)cc1 ZINC000511679606 1005273852 /nfs/dbraw/zinc/27/38/52/1005273852.db2.gz FIXHOHNIWMRCIP-VAMGGRTRSA-N 1 0 406.442 3.649 20 5 HHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000511766240 1005314867 /nfs/dbraw/zinc/31/48/67/1005314867.db2.gz DBYMSVDSTSZHAT-QFIPXVFZSA-N 1 0 420.513 3.966 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000511775362 1005320031 /nfs/dbraw/zinc/32/00/31/1005320031.db2.gz HAACYMZEUUVPAO-SJBKTWHCSA-N 1 0 409.486 3.736 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503426745 1005416912 /nfs/dbraw/zinc/41/69/12/1005416912.db2.gz AZEOYZVUWNITSV-KRWDZBQOSA-N 1 0 411.506 3.644 20 5 HHBDRO O=C(C[NH2+][C@H]1CCCC12CCOCC2)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000503435050 1005419562 /nfs/dbraw/zinc/41/95/62/1005419562.db2.gz SREJXHCTEFTFDJ-KRWDZBQOSA-N 1 0 416.503 3.596 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000503505778 1005439577 /nfs/dbraw/zinc/43/95/77/1005439577.db2.gz WHMSMTYFKMAHID-SFHVURJKSA-N 1 0 422.485 3.908 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000503505777 1005439666 /nfs/dbraw/zinc/43/96/66/1005439666.db2.gz WHMSMTYFKMAHID-GOSISDBHSA-N 1 0 422.485 3.908 20 5 HHBDRO Cc1nn(Cc2ccc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000504141063 1005560722 /nfs/dbraw/zinc/56/07/22/1005560722.db2.gz CZMQVRWQUZGBMO-UHFFFAOYSA-N 1 0 415.538 3.647 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](Cc2ccccc2OC)C(C)C)c([N+](=O)[O-])c1 ZINC000531368609 1006153622 /nfs/dbraw/zinc/15/36/22/1006153622.db2.gz UUJUZMJYIQBKFS-BEFAXECRSA-N 1 0 415.490 3.796 20 5 HHBDRO COc1ccc(C[C@H](C)C[N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000534173902 1006158198 /nfs/dbraw/zinc/15/81/98/1006158198.db2.gz VGMGRMQVZVKTEY-INIZCTEOSA-N 1 0 413.474 3.712 20 5 HHBDRO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531443707 1006200177 /nfs/dbraw/zinc/20/01/77/1006200177.db2.gz AZCQUKJUYYPLOG-KBPBESRZSA-N 1 0 414.462 3.548 20 5 HHBDRO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531443711 1006200406 /nfs/dbraw/zinc/20/04/06/1006200406.db2.gz AZCQUKJUYYPLOG-ZIAGYGMSSA-N 1 0 414.462 3.548 20 5 HHBDRO COc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000534225278 1006221798 /nfs/dbraw/zinc/22/17/98/1006221798.db2.gz CSTJIAUFRMLEBU-LIRRHRJNSA-N 1 0 421.856 3.819 20 5 HHBDRO NC(=O)c1ccc(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cn1 ZINC000531486277 1006224769 /nfs/dbraw/zinc/22/47/69/1006224769.db2.gz AFHZYGZLFAYUMU-UHFFFAOYSA-N 1 0 412.833 3.824 20 5 HHBDRO COc1cc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531489093 1006227856 /nfs/dbraw/zinc/22/78/56/1006227856.db2.gz GQMLTAMNTZQQQP-URXFXBBRSA-N 1 0 420.465 3.930 20 5 HHBDRO CNc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000534260504 1006270024 /nfs/dbraw/zinc/27/00/24/1006270024.db2.gz FDFSQCZUGSKYGG-LIRRHRJNSA-N 1 0 420.872 3.852 20 5 HHBDRO CNc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000534260502 1006270543 /nfs/dbraw/zinc/27/05/43/1006270543.db2.gz FDFSQCZUGSKYGG-IFXJQAMLSA-N 1 0 420.872 3.852 20 5 HHBDRO Cc1c(Br)cc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000534262140 1006271387 /nfs/dbraw/zinc/27/13/87/1006271387.db2.gz ANCIQFAQSCPYAV-UHFFFAOYSA-N 1 0 424.270 3.796 20 5 HHBDRO Cc1ccc([C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000531706389 1006367639 /nfs/dbraw/zinc/36/76/39/1006367639.db2.gz QTFCDEKJLIBXRC-BEFAXECRSA-N 1 0 400.479 3.640 20 5 HHBDRO CNc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000531727210 1006382630 /nfs/dbraw/zinc/38/26/30/1006382630.db2.gz SUTLMADCBJTFNF-CTNGQTDRSA-N 1 0 408.502 3.763 20 5 HHBDRO COc1cc(C[NH2+][C@@H](C)Cc2cc(C)n[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531759751 1006403431 /nfs/dbraw/zinc/40/34/31/1006403431.db2.gz JDBPPGTYXOEGFS-HNNXBMFYSA-N 1 0 410.474 3.935 20 5 HHBDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000534473918 1006460804 /nfs/dbraw/zinc/46/08/04/1006460804.db2.gz KABAMGMPAZLXSC-SFHVURJKSA-N 1 0 407.474 3.664 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3Cn3cnc4ccccc43)o2)cc1 ZINC000534579197 1006567191 /nfs/dbraw/zinc/56/71/91/1006567191.db2.gz GGEDQFOTJDHMGX-QGZVFWFLSA-N 1 0 404.430 3.659 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[NH+]2CCCC2)c1 ZINC000534648131 1006626950 /nfs/dbraw/zinc/62/69/50/1006626950.db2.gz GVMQCFPGYICBKE-JOCHJYFZSA-N 1 0 422.485 3.581 20 5 HHBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000534649468 1006628797 /nfs/dbraw/zinc/62/87/97/1006628797.db2.gz BCFMOVZFFRKQKC-UHFFFAOYSA-N 1 0 406.486 3.921 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000532419638 1006864815 /nfs/dbraw/zinc/86/48/15/1006864815.db2.gz VPCQWIQCUQJLGP-QGZVFWFLSA-N 1 0 403.523 3.938 20 5 HHBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534847194 1006867165 /nfs/dbraw/zinc/86/71/65/1006867165.db2.gz FNTWGVJMVQNWIL-NVXWUHKLSA-N 1 0 400.479 3.767 20 5 HHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000532474042 1006912918 /nfs/dbraw/zinc/91/29/18/1006912918.db2.gz IAXOHIRKSRQFCG-QFIPXVFZSA-N 1 0 408.502 3.611 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000532537926 1006973560 /nfs/dbraw/zinc/97/35/60/1006973560.db2.gz XJDKMPTWOJDFQU-SFHVURJKSA-N 1 0 418.538 3.520 20 5 HHBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C3CCOCC3)CC2)ccc1Oc1ccc(F)cc1 ZINC000538716961 1006989724 /nfs/dbraw/zinc/98/97/24/1006989724.db2.gz RRFYZSGIZSVQLR-UHFFFAOYSA-N 1 0 415.465 3.823 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000532576860 1007009641 /nfs/dbraw/zinc/00/96/41/1007009641.db2.gz BXRZMMHSIVJPDC-MRXNPFEDSA-N 1 0 401.438 3.636 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534962864 1007012403 /nfs/dbraw/zinc/01/24/03/1007012403.db2.gz OBTLBJMGGPGPRP-HNAYVOBHSA-N 1 0 420.872 3.880 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000538733139 1007014319 /nfs/dbraw/zinc/01/43/19/1007014319.db2.gz UATYPKXUVIIAON-RHSMWYFYSA-N 1 0 400.353 3.751 20 5 HHBDRO Cn1cc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538759431 1007043906 /nfs/dbraw/zinc/04/39/06/1007043906.db2.gz ZAQFXPPHBIMMGN-MRXNPFEDSA-N 1 0 408.462 3.635 20 5 HHBDRO CCOC(=O)c1cc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc([N+](=O)[O-])c1 ZINC000538802017 1007081689 /nfs/dbraw/zinc/08/16/89/1007081689.db2.gz ZAQCMGHKCSEXNM-UHFFFAOYSA-N 1 0 411.458 3.662 20 5 HHBDRO CCC[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1CCOC ZINC000538810061 1007089219 /nfs/dbraw/zinc/08/92/19/1007089219.db2.gz UCSSEFNSEBYJKT-IBGZPJMESA-N 1 0 404.536 3.651 20 5 HHBDRO CN(C(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000532690188 1007104215 /nfs/dbraw/zinc/10/42/15/1007104215.db2.gz HZMQNLRKNJPFGV-UHFFFAOYSA-N 1 0 418.291 3.989 20 5 HHBDRO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)[NH+](C)C)cc1OC ZINC000538891837 1007169970 /nfs/dbraw/zinc/16/99/70/1007169970.db2.gz RMNRNOFPMSWVRQ-HNNXBMFYSA-N 1 0 411.405 3.928 20 5 HHBDRO CSCC[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000516679540 1007226104 /nfs/dbraw/zinc/22/61/04/1007226104.db2.gz TYHDAWRYBSXKLC-SFHVURJKSA-N 1 0 416.547 3.662 20 5 HHBDRO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000532866677 1007254392 /nfs/dbraw/zinc/25/43/92/1007254392.db2.gz ZQCFDTVCUWBDRN-UHFFFAOYSA-N 1 0 420.448 3.881 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN(c4ccc(Cl)cn4)CC3)o2)c1 ZINC000532928066 1007300199 /nfs/dbraw/zinc/30/01/99/1007300199.db2.gz FVZURMJELHQIFT-UHFFFAOYSA-N 1 0 413.865 3.663 20 5 HHBDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000532959081 1007326704 /nfs/dbraw/zinc/32/67/04/1007326704.db2.gz CBDSFWFDXXSHSH-UHFFFAOYSA-N 1 0 411.437 3.627 20 5 HHBDRO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000532972193 1007340404 /nfs/dbraw/zinc/34/04/04/1007340404.db2.gz SDYDHZGUJWMKFY-CQSZACIVSA-N 1 0 417.893 3.810 20 5 HHBDRO COc1cc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)ccc1S(C)(=O)=O ZINC000539086536 1007375381 /nfs/dbraw/zinc/37/53/81/1007375381.db2.gz ATEIGLMZRDWPAO-HNNXBMFYSA-N 1 0 406.504 3.680 20 5 HHBDRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000533032166 1007392328 /nfs/dbraw/zinc/39/23/28/1007392328.db2.gz CJPYLQRYQIBDPD-UHFFFAOYSA-N 1 0 419.279 3.603 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000517191142 1007495173 /nfs/dbraw/zinc/49/51/73/1007495173.db2.gz SSVZKIZSGVLHBD-NQSCKRDGSA-N 1 0 405.502 3.843 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000535461713 1007524982 /nfs/dbraw/zinc/52/49/82/1007524982.db2.gz AOAFYFATMSADMD-SJORKVTESA-N 1 0 404.264 3.533 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1OC ZINC000539268957 1007563860 /nfs/dbraw/zinc/56/38/60/1007563860.db2.gz OBKBUYRKYPLPEB-KBPBESRZSA-N 1 0 417.462 3.689 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000533260120 1007576225 /nfs/dbraw/zinc/57/62/25/1007576225.db2.gz YLHXXQMLLYXCTK-RTBURBONSA-N 1 0 402.539 3.674 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000533270679 1007585136 /nfs/dbraw/zinc/58/51/36/1007585136.db2.gz GJSUJTFFDHZEKV-QZTJIDSGSA-N 1 0 418.538 3.518 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000533401228 1007711856 /nfs/dbraw/zinc/71/18/56/1007711856.db2.gz XVERNEHDSQFIRZ-LJQANCHMSA-N 1 0 411.458 3.840 20 5 HHBDRO CN(CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1[N+](=O)[O-] ZINC000535696806 1007732430 /nfs/dbraw/zinc/73/24/30/1007732430.db2.gz RBWRXUJDSUSFIF-UHFFFAOYSA-N 1 0 422.529 3.546 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000535777534 1007787353 /nfs/dbraw/zinc/78/73/53/1007787353.db2.gz GLUPBZKJSATFCN-RXVVDRJESA-N 1 0 412.534 3.633 20 5 HHBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000539488580 1007799154 /nfs/dbraw/zinc/79/91/54/1007799154.db2.gz MIJZZPPTFOMDHD-UHFFFAOYSA-N 1 0 410.499 3.922 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000535801461 1007808269 /nfs/dbraw/zinc/80/82/69/1007808269.db2.gz OCARHGUGCPAZKL-OCCSQVGLSA-N 1 0 404.385 3.545 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000539514262 1007825061 /nfs/dbraw/zinc/82/50/61/1007825061.db2.gz BQTLJKWNGQBNEX-IBGZPJMESA-N 1 0 403.523 3.787 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1 ZINC000539515439 1007826095 /nfs/dbraw/zinc/82/60/95/1007826095.db2.gz LPYXRORROPPROF-UHFFFAOYSA-N 1 0 421.444 3.541 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](CO)CC(F)(F)F)cc1 ZINC000539520326 1007830989 /nfs/dbraw/zinc/83/09/89/1007830989.db2.gz AKVHSKQIEUNTMR-MRXNPFEDSA-N 1 0 420.391 3.850 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000517623163 1007831021 /nfs/dbraw/zinc/83/10/21/1007831021.db2.gz SBMZLDQMPDGDCH-FQEVSTJZSA-N 1 0 411.506 3.555 20 5 HHBDRO CCOc1cc(C[NH+]2[C@@H](C)CC[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000535820471 1007832249 /nfs/dbraw/zinc/83/22/49/1007832249.db2.gz ZTJTZXGWHOCIJZ-HOTGVXAUSA-N 1 0 402.495 3.950 20 5 HHBDRO Cn1cc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535821440 1007834875 /nfs/dbraw/zinc/83/48/75/1007834875.db2.gz GVFHGVWXNQVGNR-UHFFFAOYSA-N 1 0 419.485 3.886 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000539527466 1007836124 /nfs/dbraw/zinc/83/61/24/1007836124.db2.gz MHAYDCANJHASFZ-LJQANCHMSA-N 1 0 411.502 3.795 20 5 HHBDRO Cn1cc(C[NH2+]CCOCc2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539529174 1007836899 /nfs/dbraw/zinc/83/68/99/1007836899.db2.gz OMWALLSIOQGDOW-UHFFFAOYSA-N 1 0 400.866 3.955 20 5 HHBDRO COc1cccc(C2=CC[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)c1 ZINC000533534099 1007857024 /nfs/dbraw/zinc/85/70/24/1007857024.db2.gz CMUIDQJAPNRHPI-UHFFFAOYSA-N 1 0 409.442 3.691 20 5 HHBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2cccc(OC(C)C)c2)c([N+](=O)[O-])c1 ZINC000535969390 1008007310 /nfs/dbraw/zinc/00/73/10/1008007310.db2.gz NGKFDXOWPRQBPU-UHFFFAOYSA-N 1 0 401.463 3.851 20 5 HHBDRO CC(C)C(=O)NCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000533741982 1008068165 /nfs/dbraw/zinc/06/81/65/1008068165.db2.gz UDIYWZXVLNZIRO-UHFFFAOYSA-N 1 0 421.501 3.699 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3Cn3cnc4ccccc43)n2)c1 ZINC000536068275 1008096506 /nfs/dbraw/zinc/09/65/06/1008096506.db2.gz YYWDSFNWOLVIKL-QGZVFWFLSA-N 1 0 404.430 3.659 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539821105 1008114837 /nfs/dbraw/zinc/11/48/37/1008114837.db2.gz IOZFOUVYTNGIPA-SFHVURJKSA-N 1 0 418.412 3.937 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533807248 1008125647 /nfs/dbraw/zinc/12/56/47/1008125647.db2.gz YZEWFEXJLYBKPE-LAUBAEHRSA-N 1 0 408.502 3.573 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000539935201 1008192957 /nfs/dbraw/zinc/19/29/57/1008192957.db2.gz FXNFUHQNBQONMU-IBGZPJMESA-N 1 0 413.474 3.569 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000540171411 1008321200 /nfs/dbraw/zinc/32/12/00/1008321200.db2.gz VMUNHQMYATYSPV-AWEZNQCLSA-N 1 0 411.487 3.663 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000540174307 1008322740 /nfs/dbraw/zinc/32/27/40/1008322740.db2.gz ISQUERNMDFOJPW-KRWDZBQOSA-N 1 0 417.531 3.655 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1[N+](=O)[O-] ZINC000540219322 1008340722 /nfs/dbraw/zinc/34/07/22/1008340722.db2.gz CPPACFZCWDBXHO-CVEARBPZSA-N 1 0 403.504 3.855 20 5 HHBDRO CCOc1cc(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000518626445 1008370515 /nfs/dbraw/zinc/37/05/15/1008370515.db2.gz YYFUCPIQKMIDFY-HUUCEWRRSA-N 1 0 408.499 3.777 20 5 HHBDRO C[C@H]1CCC[C@@](CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000518782354 1008418751 /nfs/dbraw/zinc/41/87/51/1008418751.db2.gz SFCNSECBAJLZFE-SCLBCKFNSA-N 1 0 417.428 3.776 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000540408457 1008420489 /nfs/dbraw/zinc/42/04/89/1008420489.db2.gz CENPLQQDVQDDSW-INIZCTEOSA-N 1 0 410.474 3.709 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000540432763 1008431230 /nfs/dbraw/zinc/43/12/30/1008431230.db2.gz VAMAUSOHONQPJE-OAHLLOKOSA-N 1 0 406.442 3.955 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000518845806 1008443004 /nfs/dbraw/zinc/44/30/04/1008443004.db2.gz VXNYUAWHVYITFZ-KRWDZBQOSA-N 1 0 402.882 3.770 20 5 HHBDRO CCOC(=O)c1sc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000540475692 1008446433 /nfs/dbraw/zinc/44/64/33/1008446433.db2.gz BFPKBVBEFGVGMQ-CYBMUJFWSA-N 1 0 405.476 3.739 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000518871080 1008454205 /nfs/dbraw/zinc/45/42/05/1008454205.db2.gz UJVVXDXAWISVCE-SCTDSRPQSA-N 1 0 400.523 3.672 20 5 HHBDRO Cc1cc(C(=O)NCC(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000543006450 1008584938 /nfs/dbraw/zinc/58/49/38/1008584938.db2.gz HHDNIVMSOKOZBK-INIZCTEOSA-N 1 0 424.501 3.504 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[N@H+](CC)CC3CC3)CC2)c1 ZINC000549039057 1008606705 /nfs/dbraw/zinc/60/67/05/1008606705.db2.gz HPOQNEPFYVOEAW-UHFFFAOYSA-N 1 0 403.523 3.968 20 5 HHBDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549107481 1008672165 /nfs/dbraw/zinc/67/21/65/1008672165.db2.gz NSIYUSAUIHUFPI-UHFFFAOYSA-N 1 0 409.412 3.681 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)ccc1Oc1ccc(F)cc1 ZINC000543241093 1008810614 /nfs/dbraw/zinc/81/06/14/1008810614.db2.gz DPOFFGJPDVFWBF-KRWDZBQOSA-N 1 0 408.451 3.583 20 5 HHBDRO C[NH+](C)Cc1cc(-c2noc(-c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)n2)ccc1F ZINC000545749021 1008837944 /nfs/dbraw/zinc/83/79/44/1008837944.db2.gz WMLQUOJYQZMMBX-UHFFFAOYSA-N 1 0 409.377 3.766 20 5 HHBDRO CSc1ccc([C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[NH+](C)C)cc1 ZINC000549284959 1008855967 /nfs/dbraw/zinc/85/59/67/1008855967.db2.gz CDSBWQFXFLSIMI-LJQANCHMSA-N 1 0 400.504 3.916 20 5 HHBDRO COC1CCC(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000519605233 1008925716 /nfs/dbraw/zinc/92/57/16/1008925716.db2.gz BDJIQDOUJVTUDR-UHFFFAOYSA-N 1 0 418.275 3.884 20 5 HHBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000519720080 1008974512 /nfs/dbraw/zinc/97/45/12/1008974512.db2.gz DPKGOTUAUPFXGN-XMMPIXPASA-N 1 0 416.481 3.881 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000549421033 1009009381 /nfs/dbraw/zinc/00/93/81/1009009381.db2.gz MMJQLODBPKNPFJ-HNNXBMFYSA-N 1 0 403.504 3.697 20 5 HHBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ncc(Br)cc2Br)c1 ZINC000543445948 1009032506 /nfs/dbraw/zinc/03/25/06/1009032506.db2.gz NGWUIDRQLAWNDB-UHFFFAOYSA-N 1 0 415.085 3.847 20 5 HHBDRO CC(=O)NCCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCSCC1 ZINC000549451697 1009041906 /nfs/dbraw/zinc/04/19/06/1009041906.db2.gz QSXZKVJTGSXRKR-UHFFFAOYSA-N 1 0 420.560 3.552 20 5 HHBDRO CNc1ccc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000546012389 1009047583 /nfs/dbraw/zinc/04/75/83/1009047583.db2.gz CAHWECPYCWPLCH-KRWDZBQOSA-N 1 0 410.396 3.688 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000519885236 1009052327 /nfs/dbraw/zinc/05/23/27/1009052327.db2.gz UWDSZICPXPWVLY-QGZVFWFLSA-N 1 0 402.539 3.778 20 5 HHBDRO C[NH+](C)C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000549615785 1009243602 /nfs/dbraw/zinc/24/36/02/1009243602.db2.gz GNGNCSQPQKCDTR-AWEZNQCLSA-N 1 0 413.808 3.882 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000520106571 1009263276 /nfs/dbraw/zinc/26/32/76/1009263276.db2.gz ICTARRQWJYCUQS-UHFFFAOYSA-N 1 0 403.385 3.823 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC000520208836 1009343299 /nfs/dbraw/zinc/34/32/99/1009343299.db2.gz QCOCWEOBVKCPMY-HXUWFJFHSA-N 1 0 407.470 3.892 20 5 HHBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543797068 1009364175 /nfs/dbraw/zinc/36/41/75/1009364175.db2.gz KWIXMKCIQMJBHV-AWEZNQCLSA-N 1 0 411.430 3.825 20 5 HHBDRO NC(=O)c1ccc(NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000520268091 1009385101 /nfs/dbraw/zinc/38/51/01/1009385101.db2.gz VSEAFHZPTCWLSS-UHFFFAOYSA-N 1 0 410.518 3.841 20 5 HHBDRO O=[N+]([O-])c1cc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cs1 ZINC000549868538 1009489070 /nfs/dbraw/zinc/48/90/70/1009489070.db2.gz YSZUDHYGSASYTG-IBGZPJMESA-N 1 0 401.532 3.675 20 5 HHBDRO COc1cc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000544117860 1009726714 /nfs/dbraw/zinc/72/67/14/1009726714.db2.gz TWUSLPXFZLYKBV-HNNXBMFYSA-N 1 0 422.503 3.515 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000550299509 1009845049 /nfs/dbraw/zinc/84/50/49/1009845049.db2.gz GLJBCPCCGZIMPB-CQSZACIVSA-N 1 0 410.312 3.756 20 5 HHBDRO COc1cccc(OC)c1OC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000520787399 1009856323 /nfs/dbraw/zinc/85/63/23/1009856323.db2.gz GHIKMJQVTFQAPG-UHFFFAOYSA-N 1 0 402.447 3.534 20 5 HHBDRO COC(=O)c1cc(-c2nc(-c3ccccc3C[NH+]3CCCC3)no2)cc([N+](=O)[O-])c1 ZINC000546944714 1009902924 /nfs/dbraw/zinc/90/29/24/1009902924.db2.gz RSZRDUDDZVLXFD-UHFFFAOYSA-N 1 0 408.414 3.694 20 5 HHBDRO COC(=O)c1cc(N[C@@H](C[NH+]2CCCC2)c2ccc(OC)cc2)cc(C)c1[N+](=O)[O-] ZINC000544396103 1010016702 /nfs/dbraw/zinc/01/67/02/1010016702.db2.gz VZVQXUMKEKZTBT-FQEVSTJZSA-N 1 0 413.474 3.947 20 5 HHBDRO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000544422573 1010043360 /nfs/dbraw/zinc/04/33/60/1010043360.db2.gz YKGYHIYIZLSJGQ-SOUVJXGZSA-N 1 0 408.930 3.818 20 5 HHBDRO C[NH+](C)CCOc1ccccc1-c1noc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000547109029 1010061873 /nfs/dbraw/zinc/06/18/73/1010061873.db2.gz POPXEELJHHXIBQ-UHFFFAOYSA-N 1 0 420.372 3.854 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000550711653 1010118861 /nfs/dbraw/zinc/11/88/61/1010118861.db2.gz FHULJYBLRWXGFZ-AWEZNQCLSA-N 1 0 412.328 3.764 20 5 HHBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000521129757 1010152912 /nfs/dbraw/zinc/15/29/12/1010152912.db2.gz MZOPDYUWGKWJQV-IHWFROFDSA-N 1 0 409.486 3.676 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000544528005 1010156722 /nfs/dbraw/zinc/15/67/22/1010156722.db2.gz CGUQLPCJYPCXBS-XLIONFOSSA-N 1 0 401.438 3.833 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000544528006 1010156916 /nfs/dbraw/zinc/15/69/16/1010156916.db2.gz CGUQLPCJYPCXBS-YLJYHZDGSA-N 1 0 401.438 3.833 20 5 HHBDRO COc1ccc(OCC[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000544529073 1010158443 /nfs/dbraw/zinc/15/84/43/1010158443.db2.gz LWMYWQVJTNZYMR-LAUBAEHRSA-N 1 0 404.438 3.973 20 5 HHBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000521162354 1010194019 /nfs/dbraw/zinc/19/40/19/1010194019.db2.gz NGEUNIKYMILWPP-XDNSSPFJSA-N 1 0 423.517 3.502 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)cc1 ZINC000544573903 1010203332 /nfs/dbraw/zinc/20/33/32/1010203332.db2.gz BAMHBVLTTFSYGB-IEBWSBKVSA-N 1 0 408.907 3.948 20 5 HHBDRO COc1ccc(CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1OC ZINC000550855975 1010219245 /nfs/dbraw/zinc/21/92/45/1010219245.db2.gz GIWXHLBMDPXZSG-CYBMUJFWSA-N 1 0 421.881 3.815 20 5 HHBDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000544616243 1010241695 /nfs/dbraw/zinc/24/16/95/1010241695.db2.gz WYHIXJQOAUDGRV-LEWJYISDSA-N 1 0 402.516 3.820 20 5 HHBDRO CC[NH+]1CCN(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4Cl)n3)cn2)CC1 ZINC000544724126 1010331103 /nfs/dbraw/zinc/33/11/03/1010331103.db2.gz VNXNIAVZDJJTJX-UHFFFAOYSA-N 1 0 414.853 3.502 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000521432525 1010373808 /nfs/dbraw/zinc/37/38/08/1010373808.db2.gz KKNKZCWYMNOHHK-UHFFFAOYSA-N 1 0 400.479 3.632 20 5 HHBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000521540413 1010449566 /nfs/dbraw/zinc/44/95/66/1010449566.db2.gz BQZFRZFJOWPBOB-IAGOWNOFSA-N 1 0 402.539 3.633 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000551230348 1010452672 /nfs/dbraw/zinc/45/26/72/1010452672.db2.gz XTUDACBEOWYXOQ-UWJYYQICSA-N 1 0 401.507 3.610 20 5 HHBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000521642995 1010519544 /nfs/dbraw/zinc/51/95/44/1010519544.db2.gz SPGOGITVAAWZGU-AWEZNQCLSA-N 1 0 414.428 3.549 20 5 HHBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(c2ccccc2)CCCC1 ZINC000548168380 1010550466 /nfs/dbraw/zinc/55/04/66/1010550466.db2.gz LPKVLDKXBATCKC-QGZVFWFLSA-N 1 0 402.516 3.859 20 5 HHBDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000548455128 1010633156 /nfs/dbraw/zinc/63/31/56/1010633156.db2.gz KPFPTIJWKGIPHI-UHFFFAOYSA-N 1 0 414.550 3.606 20 5 HHBDRO Cc1ccc(C(C)C)c(Oc2ccc(CNC[C@@]3(O)CC[N@H+](C)C3)cc2[N+](=O)[O-])c1 ZINC000545148605 1010648830 /nfs/dbraw/zinc/64/88/30/1010648830.db2.gz PHPKRNNLPNCYHO-QHCPKHFHSA-N 1 0 413.518 3.975 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000545178367 1010673712 /nfs/dbraw/zinc/67/37/12/1010673712.db2.gz MYLHSCBGHKBGIY-YPGOJHLTSA-N 1 0 411.502 3.708 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1SC ZINC000521957474 1010735429 /nfs/dbraw/zinc/73/54/29/1010735429.db2.gz KDDSTYUNTAPBEG-CQSZACIVSA-N 1 0 403.504 3.576 20 5 HHBDRO O=C(CC[NH2+]CCc1ccc(F)c(Br)c1)Nc1ccccc1[N+](=O)[O-] ZINC000548825448 1010739034 /nfs/dbraw/zinc/73/90/34/1010739034.db2.gz IWGLHLVNCIJELP-UHFFFAOYSA-N 1 0 410.243 3.657 20 5 HHBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000522243810 1010885073 /nfs/dbraw/zinc/88/50/73/1010885073.db2.gz LEPRUWZJKFKRPU-LJQANCHMSA-N 1 0 407.392 3.666 20 5 HHBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000522720422 1011176403 /nfs/dbraw/zinc/17/64/03/1011176403.db2.gz JUVOOZLOOIKDMD-UHFFFAOYSA-N 1 0 405.458 3.836 20 5 HHBDRO CC[N@H+](C)CCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000522768999 1011205086 /nfs/dbraw/zinc/20/50/86/1011205086.db2.gz XLFNNUZTHZQJEC-UHFFFAOYSA-N 1 0 424.860 3.931 20 5 HHBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000522810611 1011243807 /nfs/dbraw/zinc/24/38/07/1011243807.db2.gz RHAUSMAUMJXUGE-KZNAEPCWSA-N 1 0 402.539 3.537 20 5 HHBDRO COc1ccc(C[NH2+]C(C)(C)COc2ncccc2Br)cc1[N+](=O)[O-] ZINC000540626837 1011276135 /nfs/dbraw/zinc/27/61/35/1011276135.db2.gz QDKHLLLHSCLXCS-UHFFFAOYSA-N 1 0 410.268 3.708 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000536229094 1011377202 /nfs/dbraw/zinc/37/72/02/1011377202.db2.gz ZJMHGPGTQQGIJN-QZTJIDSGSA-N 1 0 410.518 3.593 20 5 HHBDRO C[C@@H]1C[C@H](N(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000536233402 1011383207 /nfs/dbraw/zinc/38/32/07/1011383207.db2.gz LXAARUBADCFZRJ-WIYYLYMNSA-N 1 0 410.518 3.832 20 5 HHBDRO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000536349794 1011556008 /nfs/dbraw/zinc/55/60/08/1011556008.db2.gz QYDYCAJETQCGOD-SJLPKXTDSA-N 1 0 418.291 3.841 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)c([N+](=O)[O-])c1 ZINC000541023606 1011658248 /nfs/dbraw/zinc/65/82/48/1011658248.db2.gz DARCMBLABUOFQS-CABCVRRESA-N 1 0 423.473 3.775 20 5 HHBDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000536659825 1011807556 /nfs/dbraw/zinc/80/75/56/1011807556.db2.gz IBIYJZLSFHTBLD-LJQANCHMSA-N 1 0 414.458 3.710 20 5 HHBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000536663027 1011811130 /nfs/dbraw/zinc/81/11/30/1011811130.db2.gz RLHWDGBHCPVGSM-UKRRQHHQSA-N 1 0 419.444 3.849 20 5 HHBDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000541212628 1011883694 /nfs/dbraw/zinc/88/36/94/1011883694.db2.gz UXRKKJBAXLUDST-GFCCVEGCSA-N 1 0 419.503 3.957 20 5 HHBDRO CC[N@H+](CCC1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000536737701 1011918390 /nfs/dbraw/zinc/91/83/90/1011918390.db2.gz RBWLJSAOYBIDHZ-QGZVFWFLSA-N 1 0 402.539 3.756 20 5 HHBDRO COc1ccc(C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]2CCCC[C@H]2C)cc1OC ZINC000536743472 1011925990 /nfs/dbraw/zinc/92/59/90/1011925990.db2.gz DNTFSAOVXGWWOQ-WBVHZDCISA-N 1 0 402.495 3.926 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000523528002 1012055893 /nfs/dbraw/zinc/05/58/93/1012055893.db2.gz CUPQGPVLGDVXNB-HNNXBMFYSA-N 1 0 410.268 3.763 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000541352218 1012066393 /nfs/dbraw/zinc/06/63/93/1012066393.db2.gz NXVODRYFUHBCSW-CVEARBPZSA-N 1 0 413.499 3.824 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000541352221 1012066755 /nfs/dbraw/zinc/06/67/55/1012066755.db2.gz NXVODRYFUHBCSW-JKSUJKDBSA-N 1 0 413.499 3.824 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000541352219 1012066852 /nfs/dbraw/zinc/06/68/52/1012066852.db2.gz NXVODRYFUHBCSW-HOTGVXAUSA-N 1 0 413.499 3.824 20 5 HHBDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000536846273 1012076400 /nfs/dbraw/zinc/07/64/00/1012076400.db2.gz QHHXIEDURHNFSH-CBGDNZLLSA-N 1 0 406.486 3.694 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000536862840 1012098914 /nfs/dbraw/zinc/09/89/14/1012098914.db2.gz JVZTYGAQJBLOFB-LBPRGKRZSA-N 1 0 403.401 3.588 20 5 HHBDRO CC1CC[NH+]([C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000523565173 1012102899 /nfs/dbraw/zinc/10/28/99/1012102899.db2.gz MZEHMWLAOWFWAW-SFHVURJKSA-N 1 0 402.520 3.929 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000536867726 1012107293 /nfs/dbraw/zinc/10/72/93/1012107293.db2.gz FNRJNTWIFOEXSL-OBZTUIKSSA-N 1 0 409.486 3.801 20 5 HHBDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000536875995 1012118996 /nfs/dbraw/zinc/11/89/96/1012118996.db2.gz JNEPVYJCBHTJIT-MRXNPFEDSA-N 1 0 403.504 3.620 20 5 HHBDRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 ZINC000536883828 1012133374 /nfs/dbraw/zinc/13/33/74/1012133374.db2.gz YMRIYZIOMWFSRB-HNNXBMFYSA-N 1 0 413.474 3.567 20 5 HHBDRO Cn1ccnc1[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552240043 1012249539 /nfs/dbraw/zinc/24/95/39/1012249539.db2.gz OHYFRBJLGKAASQ-JOCHJYFZSA-N 1 0 405.502 3.672 20 5 HHBDRO Cn1ccnc1[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552248535 1012259827 /nfs/dbraw/zinc/25/98/27/1012259827.db2.gz KMQBSTNTEVKCTO-OFNKIYASSA-N 1 0 419.529 3.572 20 5 HHBDRO COc1ccc([C@@H](C[NH+]2CCCC2)Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])cc1 ZINC000541575777 1012365515 /nfs/dbraw/zinc/36/55/15/1012365515.db2.gz AQEZJPYLTDXNCM-OAQYLSRUSA-N 1 0 424.501 3.745 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000537066981 1012405580 /nfs/dbraw/zinc/40/55/80/1012405580.db2.gz VEEGRYXKYAVUQM-OAHLLOKOSA-N 1 0 401.463 3.990 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000552407377 1012421972 /nfs/dbraw/zinc/42/19/72/1012421972.db2.gz OUEFAKRLQUCDJQ-AWEZNQCLSA-N 1 0 409.870 3.589 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000537087777 1012442755 /nfs/dbraw/zinc/44/27/55/1012442755.db2.gz GRWGJLITPBTHPB-AWEZNQCLSA-N 1 0 417.462 3.608 20 5 HHBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000537123656 1012506531 /nfs/dbraw/zinc/50/65/31/1012506531.db2.gz BESMWSVNTNMBGO-JLTOFOAXSA-N 1 0 413.449 3.979 20 5 HHBDRO O=C(C[NH2+]C1(c2ccc(F)cc2F)CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000537125964 1012509845 /nfs/dbraw/zinc/50/98/45/1012509845.db2.gz PUSKJXZLFROOGP-UHFFFAOYSA-N 1 0 401.413 3.821 20 5 HHBDRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccc([N+](=O)[O-])s3)cc2)C[C@@H]1C ZINC000537140324 1012531995 /nfs/dbraw/zinc/53/19/95/1012531995.db2.gz ZCKSSBZYYZRBCU-HOTGVXAUSA-N 1 0 417.531 3.595 20 5 HHBDRO COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000537175572 1012582419 /nfs/dbraw/zinc/58/24/19/1012582419.db2.gz QDSJXOABRPQBDZ-HOTGVXAUSA-N 1 0 415.490 3.757 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000541771387 1012637239 /nfs/dbraw/zinc/63/72/39/1012637239.db2.gz MUTYRSUSDBCWCH-OAHLLOKOSA-N 1 0 423.469 3.718 20 5 HHBDRO C[C@@H]1C[C@H]1[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1 ZINC000537222376 1012648981 /nfs/dbraw/zinc/64/89/81/1012648981.db2.gz XQUUXYSFZHHDMX-QRVQBPJGSA-N 1 0 417.849 3.902 20 5 HHBDRO C[NH+](C)Cc1cc(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])ccc1F ZINC000537226372 1012656848 /nfs/dbraw/zinc/65/68/48/1012656848.db2.gz XUNCZARJOAUVAT-UHFFFAOYSA-N 1 0 408.433 3.788 20 5 HHBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000541833649 1012720603 /nfs/dbraw/zinc/72/06/03/1012720603.db2.gz IFVFTCPESXOQIA-ZDUSSCGKSA-N 1 0 419.432 3.508 20 5 HHBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c1 ZINC000537347581 1012811408 /nfs/dbraw/zinc/81/14/08/1012811408.db2.gz OIKNHGRETNCLFD-UHFFFAOYSA-N 1 0 412.490 3.526 20 5 HHBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000552816435 1012823745 /nfs/dbraw/zinc/82/37/45/1012823745.db2.gz QCHJKRAONNZSBJ-AUUYWEPGSA-N 1 0 403.504 3.503 20 5 HHBDRO NC(=O)[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)Cc1ccc(F)cc1 ZINC000537432199 1012921223 /nfs/dbraw/zinc/92/12/23/1012921223.db2.gz VIYZKILCFYOCLB-OAHLLOKOSA-N 1 0 413.474 3.896 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000553001229 1012975970 /nfs/dbraw/zinc/97/59/70/1012975970.db2.gz QNKOMEHOQKKQAD-UHFFFAOYSA-N 1 0 412.471 3.641 20 5 HHBDRO CC(C)[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000575948293 1071769606 /nfs/dbraw/zinc/76/96/06/1071769606.db2.gz HIDTZTKAXTYXCA-OAQYLSRUSA-N 1 0 417.456 3.615 20 5 HHBDRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC001212067269 1071946492 /nfs/dbraw/zinc/94/64/92/1071946492.db2.gz OIJNQODJVXPOLN-UHFFFAOYSA-N 1 0 417.959 3.833 20 5 HHBDRO C[NH+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 ZINC000912575605 1072253207 /nfs/dbraw/zinc/25/32/07/1072253207.db2.gz UGZMOXCYEVCXIM-UHFFFAOYSA-N 1 0 424.545 3.735 20 5 HHBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[C@H]1n1cccn1 ZINC000567474282 1072916526 /nfs/dbraw/zinc/91/65/26/1072916526.db2.gz SHMJZDMSYCYQFC-IOMROCGXSA-N 1 0 412.446 3.568 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1 ZINC000554897506 1072946287 /nfs/dbraw/zinc/94/62/87/1072946287.db2.gz WSKJILBACREEPG-DOTOQJQBSA-N 1 0 411.458 3.704 20 5 HHBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)c2)CC1 ZINC000555458502 1073506050 /nfs/dbraw/zinc/50/60/50/1073506050.db2.gz KCBJXGGVILEEIM-UHFFFAOYSA-N 1 0 422.407 3.613 20 5 HHBDRO O=C(C[NH2+]C1(Cc2cccc(F)c2)CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000555618052 1073683607 /nfs/dbraw/zinc/68/36/07/1073683607.db2.gz FBKXTUNRJWTYFK-UHFFFAOYSA-N 1 0 421.856 3.707 20 5 HHBDRO COc1cc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000555638429 1073692745 /nfs/dbraw/zinc/69/27/45/1073692745.db2.gz UZNBGTAHJAETNO-KSFYIVLOSA-N 1 0 400.475 3.823 20 5 HHBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000555773455 1073814994 /nfs/dbraw/zinc/81/49/94/1073814994.db2.gz OZQVKEQXJIUOHM-INIZCTEOSA-N 1 0 420.307 3.616 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000555787410 1073822020 /nfs/dbraw/zinc/82/20/20/1073822020.db2.gz XJKSTVSLDOSFTK-UHFFFAOYSA-N 1 0 410.312 3.756 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000590543059 1073886239 /nfs/dbraw/zinc/88/62/39/1073886239.db2.gz JVVKSNGWNVMNBP-INIZCTEOSA-N 1 0 417.531 3.958 20 5 HHBDRO [NH3+]CC1(F)CCN(C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)CC1 ZINC001164386948 718813636 /nfs/dbraw/zinc/81/36/36/718813636.db2.gz CEHQUFOYKMIIJD-UHFFFAOYSA-N 1 0 415.803 3.517 20 5 HHBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc3ccc4ccc(Cl)nc4c3n2)C1 ZINC001164731202 720516565 /nfs/dbraw/zinc/51/65/65/720516565.db2.gz UXWPTIKLOSHYMK-OAHLLOKOSA-N 1 0 406.921 3.831 20 5 HHBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)[C@@H]2C ZINC001164862304 721011121 /nfs/dbraw/zinc/01/11/21/721011121.db2.gz PXBGPJDHOLRASM-MRXNPFEDSA-N 1 0 421.505 3.670 20 5 HHBDRO Cc1ccc(C[NH+]2CCC3(CCN(c4c(C)c([N+](=O)[O-])cc[n+]4[O-])CC3)CC2)cc1 ZINC001164760416 721044736 /nfs/dbraw/zinc/04/47/36/721044736.db2.gz USVLWMINFUMZLK-UHFFFAOYSA-N 1 0 410.518 3.728 20 5 HHBDRO O=[N+]([O-])c1cccc2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc21 ZINC001164905841 721530320 /nfs/dbraw/zinc/53/03/20/721530320.db2.gz JADBORQLDCDLML-HKUYNNGSSA-N 1 0 408.433 3.624 20 5 HHBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164910388 721549543 /nfs/dbraw/zinc/54/95/43/721549543.db2.gz UNMSGHPOPBDDEN-QUCCMNQESA-N 1 0 408.433 3.624 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC001165024532 721800920 /nfs/dbraw/zinc/80/09/20/721800920.db2.gz LOLZSUYWCODVCS-UCLAIMLFSA-N 1 0 401.898 3.775 20 5 HHBDRO O=[N+]([O-])c1ccc2ncc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2c1 ZINC001164992863 722194550 /nfs/dbraw/zinc/19/45/50/722194550.db2.gz BKKWPRHCFXDWRU-JOCHJYFZSA-N 1 0 407.449 3.922 20 5 HHBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301228345 970820725 /nfs/dbraw/zinc/82/07/25/970820725.db2.gz HXTPQACVQUSWSG-ZNMIVQPWSA-N 1 0 419.913 3.572 20 5 HHBDRO C[C@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301447154 970931780 /nfs/dbraw/zinc/93/17/80/970931780.db2.gz OKCPDXRQJFIIMD-KRWDZBQOSA-N 1 0 408.502 3.588 20 5 HHBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301525782 970967214 /nfs/dbraw/zinc/96/72/14/970967214.db2.gz HOADXAKCUILJJF-KSSFIOAISA-N 1 0 414.462 3.769 20 5 HHBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000301556560 970979250 /nfs/dbraw/zinc/97/92/50/970979250.db2.gz HKQRRPKPAUNZJV-KBXCAEBGSA-N 1 0 414.462 3.626 20 5 HHBDRO CC(C)NC(=O)c1ccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000301568033 970983097 /nfs/dbraw/zinc/98/30/97/970983097.db2.gz XABXMZPVLJFTPX-GOSISDBHSA-N 1 0 402.539 3.825 20 5 HHBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000301622347 971006487 /nfs/dbraw/zinc/00/64/87/971006487.db2.gz NUIYAMLEBDLPQW-FXAWDEMLSA-N 1 0 408.502 3.906 20 5 HHBDRO O=C1COc2cc([N+](=O)[O-])c(NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)cc2N1 ZINC000301686609 971028131 /nfs/dbraw/zinc/02/81/31/971028131.db2.gz LXJKJLMLOZVDOJ-GOSISDBHSA-N 1 0 416.865 3.828 20 5 HHBDRO O=[N+]([O-])c1cncc(Br)c1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000301863084 971091101 /nfs/dbraw/zinc/09/11/01/971091101.db2.gz FGAJRAPTPYFTHU-HNNXBMFYSA-N 1 0 405.296 3.729 20 5 HHBDRO COc1cc(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(F)cc1[N+](=O)[O-] ZINC000301868278 971092336 /nfs/dbraw/zinc/09/23/36/971092336.db2.gz HYAISDDQDLNFLQ-HUUCEWRRSA-N 1 0 403.454 3.964 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301883045 971097923 /nfs/dbraw/zinc/09/79/23/971097923.db2.gz IXHANTDOMISGQD-IBGZPJMESA-N 1 0 422.529 3.932 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301900110 971105681 /nfs/dbraw/zinc/10/56/81/971105681.db2.gz UKDBKMYWGSQYSW-INIZCTEOSA-N 1 0 417.531 3.985 20 5 HHBDRO Cc1cc(NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302184231 971200642 /nfs/dbraw/zinc/20/06/42/971200642.db2.gz OWNFCRNMMNJGJU-LJQANCHMSA-N 1 0 420.469 3.972 20 5 HHBDRO CNC(=O)c1ccc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000302183259 971200794 /nfs/dbraw/zinc/20/07/94/971200794.db2.gz SKWZWXIVULUXPG-HSALFYBXSA-N 1 0 408.502 3.667 20 5 HHBDRO O=c1[nH]cnc2cc(N[C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c([N+](=O)[O-])cc21 ZINC000302200191 971205891 /nfs/dbraw/zinc/20/58/91/971205891.db2.gz YZRXEEUNCNHZCN-YTQUADARSA-N 1 0 419.485 3.956 20 5 HHBDRO Cc1cc(N2CCCN(C(=O)c3cccc(F)c3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302202167 971206110 /nfs/dbraw/zinc/20/61/10/971206110.db2.gz VTIHGKITIPJRMP-UHFFFAOYSA-N 1 0 408.433 3.943 20 5 HHBDRO COc1ccc([C@H](CNc2nc3sccn3c2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000302810793 971329964 /nfs/dbraw/zinc/32/99/64/971329964.db2.gz WDRYGWCOFIZWMF-INIZCTEOSA-N 1 0 401.492 3.952 20 5 HHBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCC[NH+]1CCCCCC1 ZINC000302850139 971352310 /nfs/dbraw/zinc/35/23/10/971352310.db2.gz LRQHTOJYEHAGCE-UHFFFAOYSA-N 1 0 416.444 3.798 20 5 HHBDRO CCOc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c([N+](=O)[O-])cc1OC ZINC000303013626 971454964 /nfs/dbraw/zinc/45/49/64/971454964.db2.gz KBMICXSLAFKWRX-KRWDZBQOSA-N 1 0 419.522 3.586 20 5 HHBDRO COc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000303273000 971591157 /nfs/dbraw/zinc/59/11/57/971591157.db2.gz GMUCBERDDKCHNI-UHFFFAOYSA-N 1 0 417.893 3.899 20 5 HHBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000524339654 1013165865 /nfs/dbraw/zinc/16/58/65/1013165865.db2.gz CNGKJJRSLTVDKQ-PXAZEXFGSA-N 1 0 409.364 3.950 20 5 HHBDRO CCOc1cc(C[N@@H+]2C[C@H](C)[C@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000537623310 1013170887 /nfs/dbraw/zinc/17/08/87/1013170887.db2.gz CUPRNWXMYUGRJK-IYBDPMFKSA-N 1 0 402.495 3.665 20 5 HHBDRO C[N@H+](CCn1cccn1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000537627258 1013178068 /nfs/dbraw/zinc/17/80/68/1013178068.db2.gz RQNKAJUFRNQMBI-UHFFFAOYSA-N 1 0 405.252 3.946 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000303878369 972419312 /nfs/dbraw/zinc/41/93/12/972419312.db2.gz QSEVDXNTFASRTG-GOSISDBHSA-N 1 0 406.486 3.999 20 5 HHBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007257750 961093798 /nfs/dbraw/zinc/09/37/98/961093798.db2.gz XIPQNEOLAKHYQS-UHFFFAOYSA-N 1 0 416.909 3.709 20 5 HHBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000553337420 1013283071 /nfs/dbraw/zinc/28/30/71/1013283071.db2.gz IWYPJYHUORPXHA-NRFANRHFSA-N 1 0 417.513 3.540 20 5 HHBDRO COc1ccc(C[NH+]2CCC(CNc3ncnc4sc([N+](=O)[O-])cc43)CC2)cc1 ZINC000553339880 1013285128 /nfs/dbraw/zinc/28/51/28/1013285128.db2.gz SXHGIPPHDHEXOC-UHFFFAOYSA-N 1 0 413.503 3.932 20 5 HHBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000537722034 1013284380 /nfs/dbraw/zinc/28/43/80/1013284380.db2.gz WHCRLIJVBTXFIM-UHFFFAOYSA-N 1 0 420.517 3.668 20 5 HHBDRO Cc1c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000010281765 961784630 /nfs/dbraw/zinc/78/46/30/961784630.db2.gz ABJHIMIJJLRFFB-UHFFFAOYSA-N 1 0 412.446 3.727 20 5 HHBDRO CC1CC[NH+]([C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000010448138 961823858 /nfs/dbraw/zinc/82/38/58/961823858.db2.gz ZUCDDMNECDDHBX-QGZVFWFLSA-N 1 0 403.504 3.625 20 5 HHBDRO CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000553409786 1013335192 /nfs/dbraw/zinc/33/51/92/1013335192.db2.gz JHNFKTCFGINUJY-CYBMUJFWSA-N 1 0 405.476 3.739 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[NH+]2CCCC2)c1 ZINC000014628573 962541411 /nfs/dbraw/zinc/54/14/11/962541411.db2.gz OFVNBJSCNQJLPE-LJQANCHMSA-N 1 0 403.866 3.824 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553505143 1013405054 /nfs/dbraw/zinc/40/50/54/1013405054.db2.gz VSOXKXBTOANKDP-QFIPXVFZSA-N 1 0 413.905 3.915 20 5 HHBDRO COc1ccc([C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000017911399 963239495 /nfs/dbraw/zinc/23/94/95/963239495.db2.gz UTSBCPTZRBUXLR-QFIPXVFZSA-N 1 0 424.501 3.745 20 5 HHBDRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000018053567 963257391 /nfs/dbraw/zinc/25/73/91/963257391.db2.gz UJVREJQNQBGNAL-LJQANCHMSA-N 1 0 418.388 3.972 20 5 HHBDRO CC(C)[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025917410 964390337 /nfs/dbraw/zinc/39/03/37/964390337.db2.gz RORFHQLYCSPZOK-NRFANRHFSA-N 1 0 413.543 3.886 20 5 HHBDRO C[C@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000542554103 1013496654 /nfs/dbraw/zinc/49/66/54/1013496654.db2.gz RRQJXECRTDZZNX-HNNXBMFYSA-N 1 0 409.527 3.705 20 5 HHBDRO Cc1ccc(Cl)cc1N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000026220695 964489942 /nfs/dbraw/zinc/48/99/42/964489942.db2.gz HZEQNAHEJBXLFH-UHFFFAOYSA-N 1 0 402.882 3.707 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000026230645 964496098 /nfs/dbraw/zinc/49/60/98/964496098.db2.gz AZNLCSIITBBYLU-QFIPXVFZSA-N 1 0 406.442 3.706 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000026712543 964654663 /nfs/dbraw/zinc/65/46/63/964654663.db2.gz PBCMTGANZNAZIU-KRWDZBQOSA-N 1 0 413.499 3.824 20 5 HHBDRO CCNc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)cc1[N+](=O)[O-] ZINC000026908808 964719941 /nfs/dbraw/zinc/71/99/41/964719941.db2.gz AJBGMHFCFUIVGC-UHFFFAOYSA-N 1 0 411.506 3.729 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000027578763 964923867 /nfs/dbraw/zinc/92/38/67/964923867.db2.gz RSGYBCVBVMQHOL-SFHVURJKSA-N 1 0 405.882 3.826 20 5 HHBDRO O=[N+]([O-])c1ccc2nc(N3CCN([C@H]4CC[N@H+](Cc5ccccc5)C4)CC3)ccc2c1 ZINC000553676514 1013540023 /nfs/dbraw/zinc/54/00/23/1013540023.db2.gz KJGFPAKPOUSHBU-QFIPXVFZSA-N 1 0 417.513 3.540 20 5 HHBDRO Cn1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053149379 965073378 /nfs/dbraw/zinc/07/33/78/965073378.db2.gz HWGIPVRPKLNKSW-UHFFFAOYSA-N 1 0 419.485 3.521 20 5 HHBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000028335449 965079260 /nfs/dbraw/zinc/07/92/60/965079260.db2.gz KYVPWUCXSBWLKV-NEPJUHHUSA-N 1 0 404.854 3.884 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000542609815 1013545197 /nfs/dbraw/zinc/54/51/97/1013545197.db2.gz BITUOLUBERTDCV-VQIMIIECSA-N 1 0 401.482 3.907 20 5 HHBDRO COc1ccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[NH+]2CCCC2)cc1 ZINC000053250220 965103982 /nfs/dbraw/zinc/10/39/82/965103982.db2.gz VKVYVWNSPFCPFU-IBGZPJMESA-N 1 0 414.462 3.571 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NC3CC[NH+](C4CC4)CC3)cc2[N+](=O)[O-])n1 ZINC000029090534 965260104 /nfs/dbraw/zinc/26/01/04/965260104.db2.gz NJZJCLQGGDKAIF-UHFFFAOYSA-N 1 0 418.544 3.868 20 5 HHBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000537990273 1013565226 /nfs/dbraw/zinc/56/52/26/1013565226.db2.gz HRIOLZGNDFKTPD-MRXNPFEDSA-N 1 0 403.504 3.620 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000057171734 965324083 /nfs/dbraw/zinc/32/40/83/965324083.db2.gz CLFISMLUDSTYCB-IRXDYDNUSA-N 1 0 411.506 3.625 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000537988550 1013563213 /nfs/dbraw/zinc/56/32/13/1013563213.db2.gz XSYASEPCOJBMIP-HZPDHXFCSA-N 1 0 405.520 3.517 20 5 HHBDRO O=C(Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000057274231 965380605 /nfs/dbraw/zinc/38/06/05/965380605.db2.gz LQTXJMDVIMPJBV-UHFFFAOYSA-N 1 0 417.469 3.564 20 5 HHBDRO CC1CC[NH+](Cc2ccc(CNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)CC1 ZINC000029529424 965402422 /nfs/dbraw/zinc/40/24/22/965402422.db2.gz DVXXGYRBAQJQIC-UHFFFAOYSA-N 1 0 417.531 3.842 20 5 HHBDRO CC[N@H+](CCC1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1)CC(C)C ZINC000537996445 1013570885 /nfs/dbraw/zinc/57/08/85/1013570885.db2.gz ZUJVVUAHAGOTML-UHFFFAOYSA-N 1 0 404.555 3.638 20 5 HHBDRO Cc1cccc(N2CC[NH+](Cc3ccc(Nc4c([N+](=O)[O-])ncn4C)cc3)CC2)c1 ZINC000029620931 965433516 /nfs/dbraw/zinc/43/35/16/965433516.db2.gz VMOZNLPMCCFKOG-UHFFFAOYSA-N 1 0 406.490 3.703 20 5 HHBDRO CC(C)NC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000054370328 965491457 /nfs/dbraw/zinc/49/14/57/965491457.db2.gz DBYUNHATQGVNSX-UHFFFAOYSA-N 1 0 414.481 3.584 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000057546187 965493636 /nfs/dbraw/zinc/49/36/36/965493636.db2.gz UERICGVROHCEKQ-OKILXGFUSA-N 1 0 417.428 3.634 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 ZINC000029828909 965515902 /nfs/dbraw/zinc/51/59/02/965515902.db2.gz YHKMNOVMXCCNMX-OAHLLOKOSA-N 1 0 424.457 3.953 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 ZINC000029828913 965516012 /nfs/dbraw/zinc/51/60/12/965516012.db2.gz YHKMNOVMXCCNMX-HNNXBMFYSA-N 1 0 424.457 3.953 20 5 HHBDRO Cc1ccccc1C[N@@H+]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000030154300 965621722 /nfs/dbraw/zinc/62/17/22/965621722.db2.gz JWKUDVNYBHJOHL-UHFFFAOYSA-N 1 0 407.474 3.661 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)COc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000059408694 966023082 /nfs/dbraw/zinc/02/30/82/966023082.db2.gz MIXAZMPWINSXOL-QZTJIDSGSA-N 1 0 411.502 3.768 20 5 HHBDRO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196038 966254887 /nfs/dbraw/zinc/25/48/87/966254887.db2.gz VXXOEKPKMCNIOE-KKUMJFAQSA-N 1 0 401.463 3.529 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000035580012 966421338 /nfs/dbraw/zinc/42/13/38/966421338.db2.gz XMHLQZHBZQQXDZ-BEFAXECRSA-N 1 0 416.547 3.925 20 5 HHBDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC2)cc1 ZINC000063263411 966796286 /nfs/dbraw/zinc/79/62/86/966796286.db2.gz YKERUIIKJLFPOA-UHFFFAOYSA-N 1 0 422.485 3.727 20 5 HHBDRO Cn1ccnc1C(=O)c1ccc(NC2CC[NH+](CC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000063282590 966801149 /nfs/dbraw/zinc/80/11/49/966801149.db2.gz TWUOFKBZFCCCOC-UHFFFAOYSA-N 1 0 411.506 3.626 20 5 HHBDRO O=C(c1cc(NC2CC[NH+](CC3CCCC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000063282603 966801269 /nfs/dbraw/zinc/80/12/69/966801269.db2.gz XUUNULBJDKYSRJ-UHFFFAOYSA-N 1 0 400.523 3.897 20 5 HHBDRO NC(=O)c1ccc(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)c([N+](=O)[O-])c1 ZINC000042742899 966839765 /nfs/dbraw/zinc/83/97/65/966839765.db2.gz YFAQYIVLVGEKKB-UHFFFAOYSA-N 1 0 414.849 3.868 20 5 HHBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(=O)Nc1ccccc1C ZINC000063482346 966872427 /nfs/dbraw/zinc/87/24/27/966872427.db2.gz LLEUPTZXVOJYLU-UHFFFAOYSA-N 1 0 412.490 3.891 20 5 HHBDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000063485953 966874259 /nfs/dbraw/zinc/87/42/59/966874259.db2.gz LOSSUILZHQFGIQ-UHFFFAOYSA-N 1 0 424.545 3.832 20 5 HHBDRO Cc1c(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000043347155 966956374 /nfs/dbraw/zinc/95/63/74/966956374.db2.gz QZQQIHAHIIQFBY-IYBDPMFKSA-N 1 0 412.490 3.834 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@H]3CCCS3(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000553919995 1013701253 /nfs/dbraw/zinc/70/12/53/1013701253.db2.gz WIIHEACDGGINJC-KRWDZBQOSA-N 1 0 406.529 3.721 20 5 HHBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064908151 967325399 /nfs/dbraw/zinc/32/53/99/967325399.db2.gz MKZNRWFAZCGHGL-UHFFFAOYSA-N 1 0 422.510 3.897 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(F)c1 ZINC000065087033 967371044 /nfs/dbraw/zinc/37/10/44/967371044.db2.gz JDOPROVDGJEYKY-SFHVURJKSA-N 1 0 414.462 3.890 20 5 HHBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000065113810 967382752 /nfs/dbraw/zinc/38/27/52/967382752.db2.gz HTOZLFWNCGTJGN-UHFFFAOYSA-N 1 0 402.520 3.912 20 5 HHBDRO CCc1ccc([C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000542869941 1013723095 /nfs/dbraw/zinc/72/30/95/1013723095.db2.gz UVZWKSHHIDEHAV-QGZVFWFLSA-N 1 0 407.417 3.791 20 5 HHBDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1OC ZINC000553959112 1013724076 /nfs/dbraw/zinc/72/40/76/1013724076.db2.gz MRMHGJPEZFGCOW-LBPRGKRZSA-N 1 0 407.854 3.863 20 5 HHBDRO COc1cc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C ZINC000538167146 1013727685 /nfs/dbraw/zinc/72/76/85/1013727685.db2.gz LEGKRKLHEDEGMU-INIZCTEOSA-N 1 0 415.490 3.952 20 5 HHBDRO CCN1CC[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542923515 1013759512 /nfs/dbraw/zinc/75/95/12/1013759512.db2.gz LENBLUWPUNSWSH-UZLBHIALSA-N 1 0 409.408 3.946 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000538209586 1013763343 /nfs/dbraw/zinc/76/33/43/1013763343.db2.gz LMNNXHWMKBUGIP-ZDUSSCGKSA-N 1 0 416.865 3.664 20 5 HHBDRO COc1cc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000046990007 968025347 /nfs/dbraw/zinc/02/53/47/968025347.db2.gz JROGAJGCYZDQSU-ZDUSSCGKSA-N 1 0 415.437 3.589 20 5 HHBDRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000047261998 968109058 /nfs/dbraw/zinc/10/90/58/968109058.db2.gz JZOMXWFYGRUOKL-AWEZNQCLSA-N 1 0 419.279 3.603 20 5 HHBDRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000047261955 968109251 /nfs/dbraw/zinc/10/92/51/968109251.db2.gz OKKIMZZMAMNAEJ-CQSZACIVSA-N 1 0 419.279 3.603 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000047323355 968139031 /nfs/dbraw/zinc/13/90/31/968139031.db2.gz HFEWUPBXAKBLCN-UHFFFAOYSA-N 1 0 411.506 3.627 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000047373434 968162994 /nfs/dbraw/zinc/16/29/94/968162994.db2.gz POLBOQVUROLFPL-KRWDZBQOSA-N 1 0 411.506 3.928 20 5 HHBDRO C[C@H](OC[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(Cl)cc1 ZINC000047745354 968295444 /nfs/dbraw/zinc/29/54/44/968295444.db2.gz WUACVKXGHPHWRR-HRAATJIYSA-N 1 0 419.909 3.509 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000554079338 1013788889 /nfs/dbraw/zinc/78/88/89/1013788889.db2.gz UQGCHUYBXOUEAJ-QHCPKHFHSA-N 1 0 410.518 3.833 20 5 HHBDRO CCC[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000554091104 1013794242 /nfs/dbraw/zinc/79/42/42/1013794242.db2.gz BFLXHJDFGRORGQ-AEFFLSMTSA-N 1 0 423.560 3.940 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)c(C)c2)CC1 ZINC000065717148 968611351 /nfs/dbraw/zinc/61/13/51/968611351.db2.gz ZTAVDHDJDOSEAA-UHFFFAOYSA-N 1 0 421.501 3.639 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000538272857 1013812384 /nfs/dbraw/zinc/81/23/84/1013812384.db2.gz SKIXFFVCXPZLCW-UHFFFAOYSA-N 1 0 417.531 3.966 20 5 HHBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 ZINC000538273325 1013812657 /nfs/dbraw/zinc/81/26/57/1013812657.db2.gz GHHDTEVMWCJQID-UHFFFAOYSA-N 1 0 409.552 3.715 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[NH+]1CCCC1 ZINC000065835659 968672238 /nfs/dbraw/zinc/67/22/38/968672238.db2.gz PCGSFXYWBIXBIU-OAQYLSRUSA-N 1 0 422.485 3.511 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000065938425 968727967 /nfs/dbraw/zinc/72/79/67/968727967.db2.gz WGMMEICVZKZQCG-UHFFFAOYSA-N 1 0 402.401 3.558 20 5 HHBDRO O=C(NC1CC1)c1ccc(NC2CC[NH+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000065946436 968732760 /nfs/dbraw/zinc/73/27/60/968732760.db2.gz DIRRZVABAAVOPP-UHFFFAOYSA-N 1 0 400.523 3.944 20 5 HHBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000069404877 968830686 /nfs/dbraw/zinc/83/06/86/968830686.db2.gz GQJRWIYMHXEKGT-UHFFFAOYSA-N 1 0 402.882 3.571 20 5 HHBDRO CCOc1cc(C[N@@H+]2CC[C@@H]2C(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000538304427 1013837671 /nfs/dbraw/zinc/83/76/71/1013837671.db2.gz GVTALXMGWWHZRQ-GOSISDBHSA-N 1 0 402.495 3.808 20 5 HHBDRO CC[NH+](CC)[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccco1 ZINC000078878153 969020987 /nfs/dbraw/zinc/02/09/87/969020987.db2.gz LBKHZZIUZXFYIQ-SFHVURJKSA-N 1 0 411.462 3.647 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000108284897 969370426 /nfs/dbraw/zinc/37/04/26/969370426.db2.gz JYYFFOHWIUBZRT-OAHLLOKOSA-N 1 0 411.458 3.993 20 5 HHBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000108840141 969424795 /nfs/dbraw/zinc/42/47/95/969424795.db2.gz CKNZNZYDHHHTBX-ZIAGYGMSSA-N 1 0 416.444 3.652 20 5 HHBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)C[NH+]1CCCCC1 ZINC000109117457 969464525 /nfs/dbraw/zinc/46/45/25/969464525.db2.gz YCSTYGWOKPDWNK-GOSISDBHSA-N 1 0 402.539 3.683 20 5 HHBDRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000109305003 969494729 /nfs/dbraw/zinc/49/47/29/969494729.db2.gz RCIJAVVLKXAJQE-GOSISDBHSA-N 1 0 408.502 3.811 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000109350375 969504685 /nfs/dbraw/zinc/50/46/85/969504685.db2.gz LWCOOSZGZABQBM-UHFFFAOYSA-N 1 0 402.539 3.948 20 5 HHBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000109373112 969508466 /nfs/dbraw/zinc/50/84/66/969508466.db2.gz LSOINXDHDWOASB-UHFFFAOYSA-N 1 0 400.523 3.579 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NCCC3CC[NH+](C)CC3)cc2[N+](=O)[O-])n1 ZINC000110000246 969607437 /nfs/dbraw/zinc/60/74/37/969607437.db2.gz XOGQKXIGOOAVKW-UHFFFAOYSA-N 1 0 420.560 3.973 20 5 HHBDRO COc1ccc(CSCC(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000110865061 969730349 /nfs/dbraw/zinc/73/03/49/969730349.db2.gz MHYZIGNCMWBPLJ-UHFFFAOYSA-N 1 0 403.504 3.579 20 5 HHBDRO C[NH+](C)C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1 ZINC000554408645 1013937065 /nfs/dbraw/zinc/93/70/65/1013937065.db2.gz GPMUPNKRCJAQFQ-HNNXBMFYSA-N 1 0 412.368 3.760 20 5 HHBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000215801596 970053940 /nfs/dbraw/zinc/05/39/40/970053940.db2.gz NKGHVQLOMYIAHG-KRWDZBQOSA-N 1 0 410.499 3.621 20 5 HHBDRO C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000140453922 970076973 /nfs/dbraw/zinc/07/69/73/970076973.db2.gz IYBDKUJMBKSPFD-OAHLLOKOSA-N 1 0 417.893 3.913 20 5 HHBDRO CC(=O)Nc1cccc(OCC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000236629332 970148886 /nfs/dbraw/zinc/14/88/86/970148886.db2.gz DCFOLGNFJKWTOX-UHFFFAOYSA-N 1 0 412.471 3.845 20 5 HHBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000236974745 970197920 /nfs/dbraw/zinc/19/79/20/970197920.db2.gz IHXJUHMJLFGRHD-SJORKVTESA-N 1 0 418.412 3.982 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CCC[C@]2(C)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237181437 970236901 /nfs/dbraw/zinc/23/69/01/970236901.db2.gz GXIBVUBNKWRLOS-FCHUYYIVSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237199377 970240390 /nfs/dbraw/zinc/24/03/90/970240390.db2.gz KXBXDEUTHFKUKH-NVXWUHKLSA-N 1 0 406.401 3.838 20 5 HHBDRO COc1cc(C[NH2+]CCc2ccccc2OC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000237202616 970240555 /nfs/dbraw/zinc/24/05/55/970240555.db2.gz PXJYSUNXCXTAKQ-UHFFFAOYSA-N 1 0 400.353 3.843 20 5 HHBDRO COc1cc(C[NH2+]C2CCN(C3CC3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237353569 970268808 /nfs/dbraw/zinc/26/88/08/970268808.db2.gz DNFPXVVHMKPAII-UHFFFAOYSA-N 1 0 411.502 3.899 20 5 HHBDRO COc1ccc(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)cc1[N+](=O)[O-] ZINC000237414441 970281217 /nfs/dbraw/zinc/28/12/17/970281217.db2.gz XUGPURWLCMKWCF-HNNXBMFYSA-N 1 0 420.307 3.982 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccccc3N3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000237418221 970281856 /nfs/dbraw/zinc/28/18/56/970281856.db2.gz MMUBAVYWWPBYDO-UHFFFAOYSA-N 1 0 423.469 3.990 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](O)COc3cccc(C)c3)o2)c([N+](=O)[O-])c1 ZINC000237428729 970283928 /nfs/dbraw/zinc/28/39/28/970283928.db2.gz LROYHHQMRIDKEK-MRXNPFEDSA-N 1 0 412.442 3.701 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]CCNC(=O)CC3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000237426848 970284011 /nfs/dbraw/zinc/28/40/11/970284011.db2.gz AJXSFFCYNOCVJR-UHFFFAOYSA-N 1 0 401.463 3.650 20 5 HHBDRO Cn1cc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237786792 970366866 /nfs/dbraw/zinc/36/68/66/970366866.db2.gz IDRYVHVVSQNOCF-NRFANRHFSA-N 1 0 405.502 3.750 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000237794362 970369137 /nfs/dbraw/zinc/36/91/37/970369137.db2.gz YLUMSDQEEMNAGY-GUWAZMKPSA-N 1 0 401.894 3.925 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)cc1 ZINC000237858954 970383234 /nfs/dbraw/zinc/38/32/34/970383234.db2.gz YFJAJCAVBCOEKA-UHFFFAOYSA-N 1 0 421.476 3.745 20 5 HHBDRO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000237937605 970398650 /nfs/dbraw/zinc/39/86/50/970398650.db2.gz PSNPFEUXTZEFTE-RYUDHWBXSA-N 1 0 422.279 3.751 20 5 HHBDRO C[C@H]1[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000554642292 1013997835 /nfs/dbraw/zinc/99/78/35/1013997835.db2.gz ZRFNLKLZBQGJCZ-BBRMVZONSA-N 1 0 405.401 3.589 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1OC ZINC000250382194 970534785 /nfs/dbraw/zinc/53/47/85/970534785.db2.gz IJHALIPRQWCACJ-WBVHZDCISA-N 1 0 413.474 3.567 20 5 HHBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000252114849 970555006 /nfs/dbraw/zinc/55/50/06/970555006.db2.gz IIRXDZBMGWXMGQ-SJORKVTESA-N 1 0 424.501 3.726 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cc4c(cc3OC(F)F)OCO4)c2c1 ZINC000554723469 1014031640 /nfs/dbraw/zinc/03/16/40/1014031640.db2.gz FYZDQHIRUVFXPZ-UHFFFAOYSA-N 1 0 405.357 3.739 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000554729045 1014033178 /nfs/dbraw/zinc/03/31/78/1014033178.db2.gz BVXABFPUMPALQC-HNNXBMFYSA-N 1 0 403.429 3.539 20 5 HHBDRO CCc1cc(NC2CC[NH+](C3CCN(C)CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301104933 970750527 /nfs/dbraw/zinc/75/05/27/970750527.db2.gz LBXFECUBXXSHRU-UHFFFAOYSA-N 1 0 424.549 3.585 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301116349 970756509 /nfs/dbraw/zinc/75/65/09/970756509.db2.gz KXNOIIYENLXAKT-HUUCEWRRSA-N 1 0 400.445 3.608 20 5 HHBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[N@@H+]1CCc2sccc2C1 ZINC000301121083 970758396 /nfs/dbraw/zinc/75/83/96/970758396.db2.gz RQCIZMURDWFZKL-OAHLLOKOSA-N 1 0 414.531 3.751 20 5 HHBDRO C[NH+]1CCC(N2CCC(Nc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)CC1 ZINC000301123727 970759605 /nfs/dbraw/zinc/75/96/05/970759605.db2.gz SACUQVNSARSSNW-UHFFFAOYSA-N 1 0 422.529 3.796 20 5 HHBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000305500220 972613472 /nfs/dbraw/zinc/61/34/72/972613472.db2.gz XROZKRDXMVIYSP-OAHLLOKOSA-N 1 0 418.291 3.752 20 5 HHBDRO C[N@H+](CCCNC(=O)c1cccc([N+](=O)[O-])c1Br)Cc1ccccc1 ZINC000310570782 972622212 /nfs/dbraw/zinc/62/22/12/972622212.db2.gz AQJLNORBWMPLJE-UHFFFAOYSA-N 1 0 406.280 3.609 20 5 HHBDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554835227 1014068478 /nfs/dbraw/zinc/06/84/78/1014068478.db2.gz PTYJLHOLXRWWNF-UHFFFAOYSA-N 1 0 421.501 3.900 20 5 HHBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000425912727 974025953 /nfs/dbraw/zinc/02/59/53/974025953.db2.gz DYKVZPPODLUJPJ-KRWDZBQOSA-N 1 0 424.270 3.789 20 5 HHBDRO C[NH+](C)CC1CCC(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000425927191 974037584 /nfs/dbraw/zinc/03/75/84/974037584.db2.gz YSKULMJJJWAXQS-UHFFFAOYSA-N 1 0 402.417 3.533 20 5 HHBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000426011064 974129367 /nfs/dbraw/zinc/12/93/67/974129367.db2.gz RVPUGQREAFJVDF-INIZCTEOSA-N 1 0 414.428 3.677 20 5 HHBDRO C[NH+](C)CC1(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCC1 ZINC000426243431 974338208 /nfs/dbraw/zinc/33/82/08/974338208.db2.gz JYYNDNIJWWPJJU-UHFFFAOYSA-N 1 0 402.417 3.535 20 5 HHBDRO COc1cccc([C@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[NH+](C)C)c1 ZINC000426258617 974351927 /nfs/dbraw/zinc/35/19/27/974351927.db2.gz VHOMEQNVZORCLL-NRFANRHFSA-N 1 0 412.490 3.580 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C)nc(N2CCCC2)n1 ZINC000426320733 974395101 /nfs/dbraw/zinc/39/51/01/974395101.db2.gz YZGGNKQEXXLOBU-INIZCTEOSA-N 1 0 401.536 3.954 20 5 HHBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000427055558 974862063 /nfs/dbraw/zinc/86/20/63/974862063.db2.gz WMTIJLHMYWXJLP-GHTZIAJQSA-N 1 0 409.486 3.730 20 5 HHBDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000427290242 975028240 /nfs/dbraw/zinc/02/82/40/975028240.db2.gz YXMMIJAVHCERRF-GASCZTMLSA-N 1 0 409.914 3.600 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000427864257 975326965 /nfs/dbraw/zinc/32/69/65/975326965.db2.gz DSHBDULVDBOTCT-LBPRGKRZSA-N 1 0 401.854 3.642 20 5 HHBDRO CC[NH+](CC)CCNC(=O)c1ccc(NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000428328871 975635650 /nfs/dbraw/zinc/63/56/50/975635650.db2.gz GLLMFQNKMQYTME-UHFFFAOYSA-N 1 0 404.898 3.932 20 5 HHBDRO COc1ccc(C[NH+]2CCC(O)(C(F)F)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000428455823 975761026 /nfs/dbraw/zinc/76/10/26/975761026.db2.gz GLQYIRPSKPGYSB-UHFFFAOYSA-N 1 0 422.428 3.774 20 5 HHBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(OC(F)F)c1 ZINC000428668166 975963852 /nfs/dbraw/zinc/96/38/52/975963852.db2.gz YNFSQFDMJJSPDZ-QGZVFWFLSA-N 1 0 407.417 3.899 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)cc2[N+](=O)[O-])C1 ZINC000428727956 976014094 /nfs/dbraw/zinc/01/40/94/976014094.db2.gz ZQQSAHNBSVVKJX-BWPNAZKDSA-N 1 0 414.550 3.633 20 5 HHBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000428778893 976052788 /nfs/dbraw/zinc/05/27/88/976052788.db2.gz BPFVRPUIAHANHU-QHCPKHFHSA-N 1 0 421.453 3.609 20 5 HHBDRO Cc1c(NC(=O)CC[N@H+]2CCN(c3cccc(F)c3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000429257455 976545532 /nfs/dbraw/zinc/54/55/32/976545532.db2.gz RPUIXGDGBSYFSM-HNNXBMFYSA-N 1 0 400.454 3.582 20 5 HHBDRO C[C@@H]([NH2+][C@H]1Cc2cccc(O)c2C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000429311205 976582824 /nfs/dbraw/zinc/58/28/24/976582824.db2.gz YJJGTPGTWABZSE-DOMZBBRYSA-N 1 0 424.482 3.508 20 5 HHBDRO CS(=O)(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Cl ZINC000429423568 976701747 /nfs/dbraw/zinc/70/17/47/976701747.db2.gz JLFLXKKBQKACNJ-KRWDZBQOSA-N 1 0 408.907 3.763 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000429936101 977211073 /nfs/dbraw/zinc/21/10/73/977211073.db2.gz LCJNFGDPFVTEKI-UHFFFAOYSA-N 1 0 422.279 3.687 20 5 HHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430292347 977452579 /nfs/dbraw/zinc/45/25/79/977452579.db2.gz ISSVMULUSVJYIQ-NVXWUHKLSA-N 1 0 421.457 3.691 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000430386147 977516016 /nfs/dbraw/zinc/51/60/16/977516016.db2.gz PMOIAPPTUITSIS-ZIFCJYIRSA-N 1 0 402.539 3.633 20 5 HHBDRO Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(C2CC[NH+](C)CC2)n1 ZINC000430461660 977570376 /nfs/dbraw/zinc/57/03/76/977570376.db2.gz ZBLPYYLPEFTOEK-UHFFFAOYSA-N 1 0 411.384 3.638 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430944191 977905068 /nfs/dbraw/zinc/90/50/68/977905068.db2.gz KYFDYRSQFUJDQZ-UHFFFAOYSA-N 1 0 424.270 3.700 20 5 HHBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431173201 978073192 /nfs/dbraw/zinc/07/31/92/978073192.db2.gz OWTDEFKIKZCJIF-SFHVURJKSA-N 1 0 418.291 3.924 20 5 HHBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431173520 978073352 /nfs/dbraw/zinc/07/33/52/978073352.db2.gz SDEMAVFLINTTRI-HNNXBMFYSA-N 1 0 424.320 3.986 20 5 HHBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431509708 978338984 /nfs/dbraw/zinc/33/89/84/978338984.db2.gz WKNMJBYXSXECSK-UHFFFAOYSA-N 1 0 418.291 3.536 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431814100 978532595 /nfs/dbraw/zinc/53/25/95/978532595.db2.gz RYLWUWZKJHAFBZ-UHFFFAOYSA-N 1 0 408.502 3.793 20 5 HHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431846345 978549830 /nfs/dbraw/zinc/54/98/30/978549830.db2.gz QWRXMJLVPRBWDX-UHFFFAOYSA-N 1 0 422.529 3.835 20 5 HHBDRO Cc1cc(OCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000432188710 978706435 /nfs/dbraw/zinc/70/64/35/978706435.db2.gz XOHZIQOHJKXTAY-REWPJTCUSA-N 1 0 423.513 3.795 20 5 HHBDRO CC(C)c1n[nH]c(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000433840358 979618685 /nfs/dbraw/zinc/61/86/85/979618685.db2.gz DKXPNLXEKOIJFU-IYBDPMFKSA-N 1 0 413.522 3.849 20 5 HHBDRO CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000435945640 981106834 /nfs/dbraw/zinc/10/68/34/981106834.db2.gz VWGCESANQLGHJZ-RXVVDRJESA-N 1 0 410.518 3.999 20 5 HHBDRO Cc1c(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cccc1[N+](=O)[O-] ZINC000435992201 981138707 /nfs/dbraw/zinc/13/87/07/981138707.db2.gz GQYCKZSTEUBROH-UHFFFAOYSA-N 1 0 420.513 3.941 20 5 HHBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Br)s1 ZINC000435998619 981142914 /nfs/dbraw/zinc/14/29/14/981142914.db2.gz WAQMIFSUXMRMCB-GXFFZTMASA-N 1 0 410.293 3.875 20 5 HHBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436067881 981187092 /nfs/dbraw/zinc/18/70/92/981187092.db2.gz UWOATIGNNJIKDU-UHFFFAOYSA-N 1 0 411.452 3.564 20 5 HHBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436125809 981210582 /nfs/dbraw/zinc/21/05/82/981210582.db2.gz DDAJPPFCSABVRB-BZUAXINKSA-N 1 0 409.505 3.917 20 5 HHBDRO C[C@H](O)C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCCCC1 ZINC000436227827 981259466 /nfs/dbraw/zinc/25/94/66/981259466.db2.gz NHPQVQKQAVXPIW-AWEZNQCLSA-N 1 0 418.519 3.672 20 5 HHBDRO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436346004 981314921 /nfs/dbraw/zinc/31/49/21/981314921.db2.gz ROCRTGQTGHIANM-GFCCVEGCSA-N 1 0 415.441 3.732 20 5 HHBDRO C[C@H]1C[NH+](CCC2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000436403568 981350357 /nfs/dbraw/zinc/35/03/57/981350357.db2.gz JAYBDKSFBFAPNH-KBPBESRZSA-N 1 0 416.444 3.724 20 5 HHBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437034251 981704932 /nfs/dbraw/zinc/70/49/32/981704932.db2.gz UMPPSNJSELVEIA-UHFFFAOYSA-N 1 0 401.410 3.879 20 5 HHBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000437197928 981856072 /nfs/dbraw/zinc/85/60/72/981856072.db2.gz YVQJJJBOKUHMHN-QGZVFWFLSA-N 1 0 413.474 3.952 20 5 HHBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460311179 982090388 /nfs/dbraw/zinc/09/03/88/982090388.db2.gz NRSKLICVCQMWGR-UHFFFAOYSA-N 1 0 406.490 3.586 20 5 HHBDRO C[C@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000437484597 982112322 /nfs/dbraw/zinc/11/23/22/982112322.db2.gz VYFGVNAAZVRCNS-SFHVURJKSA-N 1 0 419.485 3.517 20 5 HHBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000460511785 982300006 /nfs/dbraw/zinc/30/00/06/982300006.db2.gz YHNLTZZHAAMJGO-HXUWFJFHSA-N 1 0 421.419 3.708 20 5 HHBDRO Cc1ccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000437754965 982337718 /nfs/dbraw/zinc/33/77/18/982337718.db2.gz FFMUENNUORYTDS-UHFFFAOYSA-N 1 0 410.474 3.509 20 5 HHBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(C)C)[C@H](C)C1 ZINC000460603325 982384593 /nfs/dbraw/zinc/38/45/93/982384593.db2.gz DYABKZWETKOCIC-APWZRJJASA-N 1 0 400.527 3.676 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437949701 982481480 /nfs/dbraw/zinc/48/14/80/982481480.db2.gz DIZOMIKQRFGDQO-NRFANRHFSA-N 1 0 408.502 3.933 20 5 HHBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(C)C)CC1 ZINC000460853479 982599440 /nfs/dbraw/zinc/59/94/40/982599440.db2.gz XSOBJDUZVCDDET-UHFFFAOYSA-N 1 0 400.527 3.820 20 5 HHBDRO COc1cc(C[NH2+]C[C@H]2Cc3ccccc3N(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000438345634 982735779 /nfs/dbraw/zinc/73/57/79/982735779.db2.gz IYJXXQVXGOGYJP-CQSZACIVSA-N 1 0 421.444 3.646 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000438539937 982877556 /nfs/dbraw/zinc/87/75/56/982877556.db2.gz YYFDBZHWTKEDCY-ZDUSSCGKSA-N 1 0 411.911 3.667 20 5 HHBDRO CC(C)C1CCC([NH+]2CCN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)CC1 ZINC000438555977 982897578 /nfs/dbraw/zinc/89/75/78/982897578.db2.gz ULQIUQFCKBFFMU-AJTFCVKESA-N 1 0 414.550 3.533 20 5 HHBDRO CC(C)C1CCC([NH+]2CCN([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000438560123 982901958 /nfs/dbraw/zinc/90/19/58/982901958.db2.gz DLHBHBXNKGCANP-VIQWUECVSA-N 1 0 402.539 3.754 20 5 HHBDRO CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000438654451 982971539 /nfs/dbraw/zinc/97/15/39/982971539.db2.gz GJCDTXCYLZVKHE-MJGOQNOKSA-N 1 0 424.501 3.526 20 5 HHBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000439012181 983209787 /nfs/dbraw/zinc/20/97/87/983209787.db2.gz SZQSVPSWDQYAQC-AXUOBQJMSA-N 1 0 400.479 3.796 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440547163 983791965 /nfs/dbraw/zinc/79/19/65/983791965.db2.gz ZZVKBWGIOYMGNL-JLHGSKIFSA-N 1 0 401.507 3.901 20 5 HHBDRO COc1cc(NC2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000440549758 983793115 /nfs/dbraw/zinc/79/31/15/983793115.db2.gz IOOAFZJEGZNIPC-UHFFFAOYSA-N 1 0 401.463 3.567 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc2[N+](=O)[O-])n1 ZINC000440912689 983968881 /nfs/dbraw/zinc/96/88/81/983968881.db2.gz JIHWBBCGEKBDCU-GXTWGEPZSA-N 1 0 418.544 3.866 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441277288 984154704 /nfs/dbraw/zinc/15/47/04/984154704.db2.gz ORCJWMUBWCNIDP-JKSUJKDBSA-N 1 0 419.909 3.809 20 5 HHBDRO O=C(NCCCC[NH+]1CCOCC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442296736 984796635 /nfs/dbraw/zinc/79/66/35/984796635.db2.gz UTNOJNZUWSEWPS-UHFFFAOYSA-N 1 0 415.515 3.588 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000462175462 985154528 /nfs/dbraw/zinc/15/45/28/985154528.db2.gz JWKGGXHFPQGHOR-DYVFJYSZSA-N 1 0 407.392 3.864 20 5 HHBDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000442789962 985216920 /nfs/dbraw/zinc/21/69/20/985216920.db2.gz FOIADTFGYKOBIW-QGZVFWFLSA-N 1 0 412.408 3.964 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C ZINC000462325129 985315271 /nfs/dbraw/zinc/31/52/71/985315271.db2.gz FOTGWIVSKQUKCL-BEFAXECRSA-N 1 0 423.560 3.635 20 5 HHBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 ZINC000443348733 985513242 /nfs/dbraw/zinc/51/32/42/985513242.db2.gz VXBNSZXUIQWKTE-SNVBAGLBSA-N 1 0 419.322 3.543 20 5 HHBDRO C[C@@H](CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000443431180 985589058 /nfs/dbraw/zinc/58/90/58/985589058.db2.gz BKZUMZFGMSFCGM-INIZCTEOSA-N 1 0 418.519 3.539 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000468006723 985658522 /nfs/dbraw/zinc/65/85/22/985658522.db2.gz SGYHGLJAESVEQV-INIZCTEOSA-N 1 0 405.520 3.519 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])s2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000443514971 985685979 /nfs/dbraw/zinc/68/59/79/985685979.db2.gz AHADZBJLDFNBGY-IUODEOHRSA-N 1 0 400.426 4.565 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@@H](O)C[C@H]3c3cc(F)ccc3F)o2)c1 ZINC000443590090 985766024 /nfs/dbraw/zinc/76/60/24/985766024.db2.gz HZNRNDUUVCLARY-LPHOPBHVSA-N 1 0 415.396 3.878 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(CNc3cccc(C[N@H+]4CC[C@H](O)C4)c3)cs2)c1 ZINC000462868108 985792953 /nfs/dbraw/zinc/79/29/53/985792953.db2.gz PIHLXNXITFDPGV-FQEVSTJZSA-N 1 0 410.499 3.897 20 5 HHBDRO Cn1cc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462913253 985843915 /nfs/dbraw/zinc/84/39/15/985843915.db2.gz UHTHWHDZDYQWRR-INIZCTEOSA-N 1 0 409.465 3.751 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443649443 985844929 /nfs/dbraw/zinc/84/49/29/985844929.db2.gz HOCXORWUEWULNO-HNNXBMFYSA-N 1 0 419.865 3.739 20 5 HHBDRO CC1CC[NH+]([C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000443691547 985904970 /nfs/dbraw/zinc/90/49/70/985904970.db2.gz HPZSUJRIRRYWJH-GOSISDBHSA-N 1 0 423.560 3.549 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000443701549 985915206 /nfs/dbraw/zinc/91/52/06/985915206.db2.gz WMAJRPSWBCHFJS-QGZVFWFLSA-N 1 0 417.531 3.589 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443711010 985922638 /nfs/dbraw/zinc/92/26/38/985922638.db2.gz QMUUJTATLJUYSC-UWJYYQICSA-N 1 0 417.531 3.582 20 5 HHBDRO COc1ccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000463034194 985993398 /nfs/dbraw/zinc/99/33/98/985993398.db2.gz MEVFUUVDIOXFNF-HXUWFJFHSA-N 1 0 408.458 3.826 20 5 HHBDRO COc1ccc([C@@H](C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 ZINC000468390367 986091113 /nfs/dbraw/zinc/09/11/13/986091113.db2.gz VEBXJZOPCFGHNI-FDDCHVKYSA-N 1 0 413.518 3.588 20 5 HHBDRO COc1cccc(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000443913001 986113359 /nfs/dbraw/zinc/11/33/59/986113359.db2.gz IWARDEPZHRXPDV-UHFFFAOYSA-N 1 0 403.866 3.605 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000463271678 986238425 /nfs/dbraw/zinc/23/84/25/986238425.db2.gz HIXKGIAEKKQCSE-VGOFRKELSA-N 1 0 408.502 3.789 20 5 HHBDRO CC1CC[NH+](Cc2ccc(CNC(=O)CN(C)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000463311736 986279117 /nfs/dbraw/zinc/27/91/17/986279117.db2.gz XABJUZBLKUVSHQ-UHFFFAOYSA-N 1 0 410.518 3.579 20 5 HHBDRO O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000444081676 986283366 /nfs/dbraw/zinc/28/33/66/986283366.db2.gz LGLZIHUVSHUSNB-AWEZNQCLSA-N 1 0 411.452 3.517 20 5 HHBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000444124869 986320315 /nfs/dbraw/zinc/32/03/15/986320315.db2.gz IDMHJVBWTPOCAJ-CQSZACIVSA-N 1 0 413.468 3.763 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000468646609 986360239 /nfs/dbraw/zinc/36/02/39/986360239.db2.gz AOTOKFOHFGBOLO-GHRIWEEISA-N 1 0 417.531 3.818 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000468653581 986365780 /nfs/dbraw/zinc/36/57/80/986365780.db2.gz PPJRZUUDHXFSOQ-NBVRZTHBSA-N 1 0 408.502 3.691 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000444220175 986404422 /nfs/dbraw/zinc/40/44/22/986404422.db2.gz ZKEGAUMOPQCXQA-HTWSVDAQSA-N 1 0 405.495 3.602 20 5 HHBDRO C[C@H]1C[C@@H](CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000468715078 986429748 /nfs/dbraw/zinc/42/97/48/986429748.db2.gz NAIIKFCOHSTRLS-FUHWJXTLSA-N 1 0 417.531 3.711 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000468749650 986462992 /nfs/dbraw/zinc/46/29/92/986462992.db2.gz OKECDLVNJORQQK-KEWOFRHOSA-N 1 0 408.502 3.808 20 5 HHBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000468882900 986589662 /nfs/dbraw/zinc/58/96/62/986589662.db2.gz HINUYPSOAOJHKF-LJQANCHMSA-N 1 0 405.520 3.567 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000463625676 986601745 /nfs/dbraw/zinc/60/17/45/986601745.db2.gz FNGQEBMXKYOLCH-UHFFFAOYSA-N 1 0 418.538 3.511 20 5 HHBDRO CC1(C)C[C@H]([NH2+]CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(C)(C)O1 ZINC000444637387 986823347 /nfs/dbraw/zinc/82/33/47/986823347.db2.gz PKZGXXIPYHSXMT-HNNXBMFYSA-N 1 0 404.492 3.593 20 5 HHBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 ZINC000444742216 986908471 /nfs/dbraw/zinc/90/84/71/986908471.db2.gz ISPLUXNZKIWXIG-LBPRGKRZSA-N 1 0 404.264 3.597 20 5 HHBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000444767940 986928223 /nfs/dbraw/zinc/92/82/23/986928223.db2.gz SAFUHLKDBXWANQ-QWRGUYRKSA-N 1 0 401.282 3.509 20 5 HHBDRO CCOc1cc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000469253665 986972636 /nfs/dbraw/zinc/97/26/36/986972636.db2.gz PPNDVOZGCDDDAB-INIZCTEOSA-N 1 0 415.446 3.640 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000444901730 987050707 /nfs/dbraw/zinc/05/07/07/987050707.db2.gz KTAVIMXCELMSNN-UHFFFAOYSA-N 1 0 412.490 3.776 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469455220 987141260 /nfs/dbraw/zinc/14/12/60/987141260.db2.gz SKDXZCZIJXKCKK-ZDUSSCGKSA-N 1 0 405.401 3.700 20 5 HHBDRO COc1cc(C[NH2+]C[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c([N+](=O)[O-])cc1O ZINC000469557440 987227865 /nfs/dbraw/zinc/22/78/65/987227865.db2.gz XPXKORMTXHUFRJ-MRXNPFEDSA-N 1 0 413.396 3.720 20 5 HHBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469562120 987231954 /nfs/dbraw/zinc/23/19/54/987231954.db2.gz MNLCACLBQFHTDJ-QGZVFWFLSA-N 1 0 410.396 3.688 20 5 HHBDRO CC(C)c1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000469838748 987474160 /nfs/dbraw/zinc/47/41/60/987474160.db2.gz PIENPRBFQUEPKJ-FQEVSTJZSA-N 1 0 411.502 3.739 20 5 HHBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[N@H+](C)Cc1ccccc1 ZINC000445778479 987841175 /nfs/dbraw/zinc/84/11/75/987841175.db2.gz YFAJHRDYIBVJTP-CQSZACIVSA-N 1 0 420.307 3.537 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470137046 988042703 /nfs/dbraw/zinc/04/27/03/988042703.db2.gz ITKURXHXIQRTCB-SFHVURJKSA-N 1 0 401.442 3.647 20 5 HHBDRO COC(=O)[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000470154004 988064323 /nfs/dbraw/zinc/06/43/23/988064323.db2.gz BTIMOAVTHLDDIY-KKSFZXQISA-N 1 0 420.469 3.831 20 5 HHBDRO CCOC(=O)[C@](C)(C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000470155500 988064999 /nfs/dbraw/zinc/06/49/99/988064999.db2.gz YJBCQOYUXVKMSC-HSZRJFAPSA-N 1 0 422.485 3.606 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cccs1 ZINC000463958583 988070591 /nfs/dbraw/zinc/07/05/91/988070591.db2.gz PWFUSLWVBJFQFO-GOSISDBHSA-N 1 0 418.519 3.512 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000470170295 988085424 /nfs/dbraw/zinc/08/54/24/988085424.db2.gz RVCHHQBMHGWCSX-KEWOFRHOSA-N 1 0 408.502 3.808 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000470184289 988101279 /nfs/dbraw/zinc/10/12/79/988101279.db2.gz RFRRBXJPUOPSKB-GHRIWEEISA-N 1 0 418.515 3.803 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H](C[N@H+](C)CC4CC4)C3)cc2[N+](=O)[O-])CC1 ZINC000470216650 988143098 /nfs/dbraw/zinc/14/30/98/988143098.db2.gz URFMWLHQNVMCCK-LJQANCHMSA-N 1 0 414.550 3.635 20 5 HHBDRO C[NH+](C)CCn1ccc(NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000470353253 988320995 /nfs/dbraw/zinc/32/09/95/988320995.db2.gz HFYWGCFHBDVQRD-UHFFFAOYSA-N 1 0 410.434 3.789 20 5 HHBDRO O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000470523822 988523789 /nfs/dbraw/zinc/52/37/89/988523789.db2.gz ODNHFTZLCDANOH-UHFFFAOYSA-N 1 0 418.453 3.839 20 5 HHBDRO CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470657319 988674149 /nfs/dbraw/zinc/67/41/49/988674149.db2.gz RPGIITPKQAFQGL-NRFANRHFSA-N 1 0 422.529 3.932 20 5 HHBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000464673525 988872265 /nfs/dbraw/zinc/87/22/65/988872265.db2.gz VAHPRFUTPALMKF-QZTJIDSGSA-N 1 0 402.539 3.635 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000470879939 988950273 /nfs/dbraw/zinc/95/02/73/988950273.db2.gz LTBOHJBXKHPLGT-UHFFFAOYSA-N 1 0 419.522 3.537 20 5 HHBDRO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000464783558 989011889 /nfs/dbraw/zinc/01/18/89/989011889.db2.gz MFSFRVBSAQABDV-FQEVSTJZSA-N 1 0 414.502 3.803 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000470990518 989054371 /nfs/dbraw/zinc/05/43/71/989054371.db2.gz DOUPZOIBRUJTOX-LIRRHRJNSA-N 1 0 403.504 3.868 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000471125191 989232108 /nfs/dbraw/zinc/23/21/08/989232108.db2.gz QLVIUWDKYCMREB-UHFFFAOYSA-N 1 0 400.401 3.830 20 5 HHBDRO Cc1c(CC(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000471224875 989367929 /nfs/dbraw/zinc/36/79/29/989367929.db2.gz WFPYKBCITYOWNQ-UHFFFAOYSA-N 1 0 410.518 3.862 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471297084 989458555 /nfs/dbraw/zinc/45/85/55/989458555.db2.gz ITGQXHFPWDROAH-WBVHZDCISA-N 1 0 417.893 3.654 20 5 HHBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2)C1 ZINC000465199011 989541899 /nfs/dbraw/zinc/54/18/99/989541899.db2.gz WNLNGBJRZSUUPF-QGZVFWFLSA-N 1 0 422.485 3.909 20 5 HHBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000465272032 989629123 /nfs/dbraw/zinc/62/91/23/989629123.db2.gz IDJIUHLYTBHLEA-AWEZNQCLSA-N 1 0 416.444 3.510 20 5 HHBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)[N@H+](C)Cc1ccccc1 ZINC000471470016 989664693 /nfs/dbraw/zinc/66/46/93/989664693.db2.gz GKPBPBAIBQVBFQ-CQSZACIVSA-N 1 0 420.307 3.998 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000471607987 989812644 /nfs/dbraw/zinc/81/26/44/989812644.db2.gz ANELRDQYLSDWGR-APWZRJJASA-N 1 0 407.474 3.793 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000466080939 991256726 /nfs/dbraw/zinc/25/67/26/991256726.db2.gz RXXAJWOTUGLMMV-ACJLOTCBSA-N 1 0 404.492 3.870 20 5 HHBDRO Cc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)CC[NH+](C)C ZINC000466256169 991500131 /nfs/dbraw/zinc/50/01/31/991500131.db2.gz SWMWYIAYUIFWEV-UHFFFAOYSA-N 1 0 412.490 3.710 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000466557779 991870961 /nfs/dbraw/zinc/87/09/61/991870961.db2.gz YKDDXNPFBPNEQD-UHFFFAOYSA-N 1 0 420.872 3.851 20 5 HHBDRO Cc1sc(S(=O)(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000467056261 992366137 /nfs/dbraw/zinc/36/61/37/992366137.db2.gz ARVUPBHPXMOHAI-AWEZNQCLSA-N 1 0 415.581 3.630 20 5 HHBDRO Cc1sc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467081699 992387845 /nfs/dbraw/zinc/38/78/45/992387845.db2.gz NDMXVAJCLMNXBL-RHSMWYFYSA-N 1 0 423.560 3.638 20 5 HHBDRO COc1ccc(C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)cc1 ZINC000467160867 992480211 /nfs/dbraw/zinc/48/02/11/992480211.db2.gz MLPHFUBXWGZOFS-UHFFFAOYSA-N 1 0 413.474 3.820 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000472285134 993302612 /nfs/dbraw/zinc/30/26/12/993302612.db2.gz WTJHOAQVVCRAEH-FQEVSTJZSA-N 1 0 424.501 3.516 20 5 HHBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472478629 993481029 /nfs/dbraw/zinc/48/10/29/993481029.db2.gz UEDUUFIVWJBWBD-FQEVSTJZSA-N 1 0 407.474 3.741 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000472517980 993510599 /nfs/dbraw/zinc/51/05/99/993510599.db2.gz HBOZZDFYOJBZBP-YPGOJHLTSA-N 1 0 413.543 3.960 20 5 HHBDRO CC1CC[NH+]([C@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000472585488 993548548 /nfs/dbraw/zinc/54/85/48/993548548.db2.gz KEKIRMHRDQIMLH-GOSISDBHSA-N 1 0 423.560 3.549 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000480987143 993828852 /nfs/dbraw/zinc/82/88/52/993828852.db2.gz GJOXDVRPXRTFFG-VQIMIIECSA-N 1 0 417.531 3.543 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4cccc5cccnc54)CC3)nc2c1 ZINC000481168912 994000387 /nfs/dbraw/zinc/00/03/87/994000387.db2.gz FDEQYPYDRMUFDJ-UHFFFAOYSA-N 1 0 402.458 3.732 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000481190329 994021805 /nfs/dbraw/zinc/02/18/05/994021805.db2.gz LHXDKNNURVNBRS-OXJNMPFZSA-N 1 0 407.474 3.645 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000481200390 994034603 /nfs/dbraw/zinc/03/46/03/994034603.db2.gz QKYZAZUGQAEHTA-OXJNMPFZSA-N 1 0 407.474 3.645 20 5 HHBDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000481312285 994129445 /nfs/dbraw/zinc/12/94/45/994129445.db2.gz WZJLXGKTTUNMAR-DLBZAZTESA-N 1 0 417.531 3.866 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000481326953 994146517 /nfs/dbraw/zinc/14/65/17/994146517.db2.gz DHQBSHRNVMNLQS-IBGZPJMESA-N 1 0 412.490 3.973 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H](OC)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000481526168 994357892 /nfs/dbraw/zinc/35/78/92/994357892.db2.gz FJFLIYAYVYBCDC-ZUOKHONESA-N 1 0 421.881 3.951 20 5 HHBDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[C@H](C(F)(F)F)C1 ZINC000481542233 994373644 /nfs/dbraw/zinc/37/36/44/994373644.db2.gz HTDJLIIKVMLFFE-IAGOWNOFSA-N 1 0 413.440 3.995 20 5 HHBDRO C[C@@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000473530286 994387729 /nfs/dbraw/zinc/38/77/29/994387729.db2.gz YWVRIZJCHBRFSC-NUYPLMSZSA-N 1 0 417.403 3.759 20 5 HHBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000473537060 994397098 /nfs/dbraw/zinc/39/70/98/994397098.db2.gz YXWZVPSFIXPQJT-UHFFFAOYSA-N 1 0 414.550 3.725 20 5 HHBDRO C[C@H]1CN(Cc2cccc(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)c2)CCO1 ZINC000481562662 994397330 /nfs/dbraw/zinc/39/73/30/994397330.db2.gz CNEMUYQVYHOCML-MBSDFSHPSA-N 1 0 409.530 3.926 20 5 HHBDRO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473560911 994425469 /nfs/dbraw/zinc/42/54/69/994425469.db2.gz GCJBEZAYWSRJLB-OYRHEFFESA-N 1 0 423.516 3.885 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)c1 ZINC000481644574 994509664 /nfs/dbraw/zinc/50/96/64/994509664.db2.gz UIVGJDQGUSNLDQ-UHFFFAOYSA-N 1 0 412.490 3.695 20 5 HHBDRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000481734961 994592494 /nfs/dbraw/zinc/59/24/94/994592494.db2.gz LHKBDGAPEUTNAU-INIZCTEOSA-N 1 0 417.531 3.708 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)ccc1Oc1ccccc1Cl ZINC000481810954 994660005 /nfs/dbraw/zinc/66/00/05/994660005.db2.gz AZFKQJSCMOCACJ-HZPDHXFCSA-N 1 0 406.866 3.775 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)ccc1Oc1ccccc1Cl ZINC000481810955 994660263 /nfs/dbraw/zinc/66/02/63/994660263.db2.gz AZFKQJSCMOCACJ-JKSUJKDBSA-N 1 0 406.866 3.775 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000481880563 994744907 /nfs/dbraw/zinc/74/49/07/994744907.db2.gz DRCGSXYOXGUMCR-RXVVDRJESA-N 1 0 409.486 3.730 20 5 HHBDRO COc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481887250 994754195 /nfs/dbraw/zinc/75/41/95/994754195.db2.gz CENVIWCUBFFESO-WOJBJXKFSA-N 1 0 409.486 3.730 20 5 HHBDRO COc1cccc([C@@H]2[C@H](NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC[N@@H+]2C2CC2)c1 ZINC000482042756 994964743 /nfs/dbraw/zinc/96/47/43/994964743.db2.gz CUZYBKSPMJPQPB-XMSQKQJNSA-N 1 0 420.469 3.793 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]C2(Cc3cccc(F)c3)CCC2)cc1[N+](=O)[O-] ZINC000474020843 995012195 /nfs/dbraw/zinc/01/21/95/995012195.db2.gz LIEMVKUEPQNRGM-UHFFFAOYSA-N 1 0 402.422 3.541 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]CC(C)(C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000474357824 995338501 /nfs/dbraw/zinc/33/85/01/995338501.db2.gz VOPDSLCCEGKWIA-UHFFFAOYSA-N 1 0 406.866 3.867 20 5 HHBDRO COC1CC[NH+](C2(CNc3ncc(Br)cc3[N+](=O)[O-])CCCC2)CC1 ZINC000474780366 995706397 /nfs/dbraw/zinc/70/63/97/995706397.db2.gz LFOYQRKNFXBSLC-UHFFFAOYSA-N 1 0 413.316 3.588 20 5 HHBDRO CO[C@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000483013844 995919576 /nfs/dbraw/zinc/91/95/76/995919576.db2.gz HNBGWCKHFPSRSV-VBKZILBWSA-N 1 0 418.519 3.936 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cc1SC ZINC000483041403 995936169 /nfs/dbraw/zinc/93/61/69/995936169.db2.gz OLOMCWVDKALFIZ-HNNXBMFYSA-N 1 0 413.499 3.950 20 5 HHBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000475213322 996001127 /nfs/dbraw/zinc/00/11/27/996001127.db2.gz MNUJTNCEFWAOJL-AWEZNQCLSA-N 1 0 418.416 3.578 20 5 HHBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000475224137 996007445 /nfs/dbraw/zinc/00/74/45/996007445.db2.gz NKYFYUKYFSEEPC-YOEHRIQHSA-N 1 0 408.545 3.951 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000483398137 996150900 /nfs/dbraw/zinc/15/09/00/996150900.db2.gz TXBBITXINSBXHD-WMZOPIPTSA-N 1 0 409.577 3.749 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000475511625 996191735 /nfs/dbraw/zinc/19/17/35/996191735.db2.gz VOIGZMXXTQDMEB-RYUDHWBXSA-N 1 0 407.268 3.820 20 5 HHBDRO C[N@H+](CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccc(F)cc1 ZINC000483468036 996199009 /nfs/dbraw/zinc/19/90/09/996199009.db2.gz ZSAVONFLPZURAT-UHFFFAOYSA-N 1 0 412.368 3.589 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000483591228 996271501 /nfs/dbraw/zinc/27/15/01/996271501.db2.gz JRBBFDKGXLQZJS-DJPFJPOOSA-N 1 0 423.517 3.719 20 5 HHBDRO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000483662955 996315201 /nfs/dbraw/zinc/31/52/01/996315201.db2.gz QTGBETUGNWFODV-OAHLLOKOSA-N 1 0 423.560 3.724 20 5 HHBDRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(OCC)c(OCC)cc2[N+](=O)[O-])CC1 ZINC000483817663 996407380 /nfs/dbraw/zinc/40/73/80/996407380.db2.gz GJKYWPSRGLKIBK-UHFFFAOYSA-N 1 0 408.499 3.730 20 5 HHBDRO CCc1cc(N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000476047711 996566086 /nfs/dbraw/zinc/56/60/86/996566086.db2.gz GREWYQUZHDOICB-MOPGFXCFSA-N 1 0 413.547 3.630 20 5 HHBDRO CS[C@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000476059102 996572836 /nfs/dbraw/zinc/57/28/36/996572836.db2.gz FINALXPXBZQDMG-SFTDATJTSA-N 1 0 411.527 3.842 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484355199 996724591 /nfs/dbraw/zinc/72/45/91/996724591.db2.gz WWEAUCHDPHFGEF-OAHLLOKOSA-N 1 0 403.401 3.842 20 5 HHBDRO CCOc1cc(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000484421177 996757190 /nfs/dbraw/zinc/75/71/90/996757190.db2.gz KZYCQLRMUJLYBU-UHFFFAOYSA-N 1 0 407.511 3.777 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1SC ZINC000484961119 997337767 /nfs/dbraw/zinc/33/77/67/997337767.db2.gz SCRFKBWATMNFIT-HNNXBMFYSA-N 1 0 421.544 3.954 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N(CC[NH+](C)C)C3CC3)cc2[N+](=O)[O-])n1 ZINC000476821925 997380597 /nfs/dbraw/zinc/38/05/97/997380597.db2.gz MDGJCTHBSJVBEM-UHFFFAOYSA-N 1 0 406.533 3.677 20 5 HHBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000477075366 997727380 /nfs/dbraw/zinc/72/73/80/997727380.db2.gz MLLSLDAFQYZFTN-YADARESESA-N 1 0 422.529 3.910 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485353094 997776120 /nfs/dbraw/zinc/77/61/20/997776120.db2.gz UJENIJASAMGGLT-NZQKXSOJSA-N 1 0 422.529 3.828 20 5 HHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)nc1-c1ccc(F)cc1 ZINC000485419321 997854403 /nfs/dbraw/zinc/85/44/03/997854403.db2.gz XYEJWAXDTJWHSJ-QUCCMNQESA-N 1 0 414.481 3.976 20 5 HHBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000485466059 997911650 /nfs/dbraw/zinc/91/16/50/997911650.db2.gz OMBHUDHNFKFNFV-UHFFFAOYSA-N 1 0 423.847 3.850 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477493496 998215199 /nfs/dbraw/zinc/21/51/99/998215199.db2.gz WUBLELLHHOTXBI-VOJFVSQTSA-N 1 0 424.835 3.531 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000477563492 998281894 /nfs/dbraw/zinc/28/18/94/998281894.db2.gz MIROJHRMQYJVEA-UHFFFAOYSA-N 1 0 404.264 3.883 20 5 HHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000477606581 998323734 /nfs/dbraw/zinc/32/37/34/998323734.db2.gz FQOITYOZSJYYIL-KRWDZBQOSA-N 1 0 401.894 3.851 20 5 HHBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000486178388 998623904 /nfs/dbraw/zinc/62/39/04/998623904.db2.gz NIVWFCBFBCWQTJ-UHFFFAOYSA-N 1 0 406.442 3.883 20 5 HHBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3CC([NH+]4CCCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000477956372 998680727 /nfs/dbraw/zinc/68/07/27/998680727.db2.gz VXHHZHIETDYUQS-NXMBOHNASA-N 1 0 414.550 3.824 20 5 HHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000486828330 998959772 /nfs/dbraw/zinc/95/97/72/998959772.db2.gz UISZBBJIVHVTOM-CMPZQBNXSA-N 1 0 406.446 3.550 20 5 HHBDRO COCC[NH+]1CCC(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000487209105 999097242 /nfs/dbraw/zinc/09/72/42/999097242.db2.gz JNBWSRVHDKCARG-UHFFFAOYSA-N 1 0 415.515 3.587 20 5 HHBDRO C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487386651 999155699 /nfs/dbraw/zinc/15/56/99/999155699.db2.gz GYCAFOFQADOUQZ-YLJYHZDGSA-N 1 0 406.486 3.576 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000487474776 999190850 /nfs/dbraw/zinc/19/08/50/999190850.db2.gz YURRXQHOQCFNNS-CGTJXYLNSA-N 1 0 411.506 3.766 20 5 HHBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000478987270 999234961 /nfs/dbraw/zinc/23/49/61/999234961.db2.gz IOBDRJIAQPYKJO-UHFFFAOYSA-N 1 0 400.479 3.816 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000487691787 999255250 /nfs/dbraw/zinc/25/52/50/999255250.db2.gz UEZKKTGQVNGTPT-UHFFFAOYSA-N 1 0 419.428 3.899 20 5 HHBDRO CCOc1cc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000487802449 999294856 /nfs/dbraw/zinc/29/48/56/999294856.db2.gz GGBZIXOYCLZHSW-QGZVFWFLSA-N 1 0 419.522 3.730 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1OC ZINC000487810932 999298067 /nfs/dbraw/zinc/29/80/67/999298067.db2.gz TWALJBHWFRFPQO-KRWDZBQOSA-N 1 0 419.522 3.730 20 5 HHBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000488078648 999369627 /nfs/dbraw/zinc/36/96/27/999369627.db2.gz UUDHPDABQUOMAJ-UHFFFAOYSA-N 1 0 416.909 3.886 20 5 HHBDRO C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488563076 999528869 /nfs/dbraw/zinc/52/88/69/999528869.db2.gz UNFUNCUWTSGOFS-PXNSSMCTSA-N 1 0 408.502 3.573 20 5 HHBDRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000479686828 999537220 /nfs/dbraw/zinc/53/72/20/999537220.db2.gz MCRGOWNIQNRBCV-NRFANRHFSA-N 1 0 414.506 3.828 20 5 HHBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000479962904 999665604 /nfs/dbraw/zinc/66/56/04/999665604.db2.gz TXXSQVCCSNOOFR-INIZCTEOSA-N 1 0 413.474 3.810 20 5 HHBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc([N+](=O)[O-])c1C ZINC000480010464 999684988 /nfs/dbraw/zinc/68/49/88/999684988.db2.gz DQNXKYDYELCDSA-IFXJQAMLSA-N 1 0 403.504 3.786 20 5 HHBDRO COc1ccc(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000480295044 999764928 /nfs/dbraw/zinc/76/49/28/999764928.db2.gz OZUREGJBBZACDP-QFIPXVFZSA-N 1 0 410.474 3.733 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000480404082 999790825 /nfs/dbraw/zinc/79/08/25/999790825.db2.gz OEUVLQFPVKYRDT-VQIMIIECSA-N 1 0 419.485 3.807 20 5 HHBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)cc21 ZINC000489581303 999796775 /nfs/dbraw/zinc/79/67/75/999796775.db2.gz XYYXOGNSUPJVDC-UHFFFAOYSA-N 1 0 418.457 3.549 20 5 HHBDRO O=C(c1cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000480500862 999812770 /nfs/dbraw/zinc/81/27/70/999812770.db2.gz RKYFWCQHDKFDGY-IBGZPJMESA-N 1 0 408.502 3.765 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000480656559 999852388 /nfs/dbraw/zinc/85/23/88/999852388.db2.gz AGJGMCMOTYFZDK-GFCCVEGCSA-N 1 0 401.854 3.642 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000489952179 999868501 /nfs/dbraw/zinc/86/85/01/999868501.db2.gz HLPXXRGMXPALTN-IBGZPJMESA-N 1 0 415.490 3.813 20 5 HHBDRO CC(C)Oc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[NH+](C)C)cc1 ZINC000489963109 999869784 /nfs/dbraw/zinc/86/97/84/999869784.db2.gz PSLSVJKQPFZISB-FQEVSTJZSA-N 1 0 419.909 3.997 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491227407 1000056782 /nfs/dbraw/zinc/05/67/82/1000056782.db2.gz CVFMLZLMOQTHMF-MRXNPFEDSA-N 1 0 407.417 3.934 20 5 HHBDRO C[NH+]1CCN(c2ccc(CN[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000491302585 1000063120 /nfs/dbraw/zinc/06/31/20/1000063120.db2.gz CREXMXGPYMKWCG-DEOSSOPVSA-N 1 0 417.513 3.621 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000492912922 1000149458 /nfs/dbraw/zinc/14/94/58/1000149458.db2.gz RCXCHHMSCGTOHH-CEXWTWQISA-N 1 0 405.539 3.554 20 5 HHBDRO CCOc1cc(CN(C)C[C@@H]2CCC[N@H+](CC)[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000492939368 1000150608 /nfs/dbraw/zinc/15/06/08/1000150608.db2.gz ZCTYXIQYNSXALG-PGRDOPGGSA-N 1 0 415.538 3.632 20 5 HHBDRO Cc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000493128993 1000158883 /nfs/dbraw/zinc/15/88/83/1000158883.db2.gz DUYGVJYPMGMNPU-INIZCTEOSA-N 1 0 402.470 3.877 20 5 HHBDRO Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000493236013 1000164273 /nfs/dbraw/zinc/16/42/73/1000164273.db2.gz ITRHYWTXPSZDGV-MRXNPFEDSA-N 1 0 402.470 3.877 20 5 HHBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000493815282 1000195366 /nfs/dbraw/zinc/19/53/66/1000195366.db2.gz ICXZEPSJDOTGKK-HNAYVOBHSA-N 1 0 423.560 3.635 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000493932444 1000222131 /nfs/dbraw/zinc/22/21/31/1000222131.db2.gz BPMDJZMGNVJZND-YLJYHZDGSA-N 1 0 405.401 3.630 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494029596 1000276371 /nfs/dbraw/zinc/27/63/71/1000276371.db2.gz QKNMVRCRBVIPMJ-LSDHHAIUSA-N 1 0 402.438 3.931 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000504899618 1000435707 /nfs/dbraw/zinc/43/57/07/1000435707.db2.gz JKKVGFFVIZTCGK-SJLPKXTDSA-N 1 0 416.547 3.875 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000504906383 1000440234 /nfs/dbraw/zinc/44/02/34/1000440234.db2.gz XGYPVMUXJCOFSX-PXNSSMCTSA-N 1 0 411.502 3.878 20 5 HHBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494346517 1000445447 /nfs/dbraw/zinc/44/54/47/1000445447.db2.gz ITIMSPOHCRMNCH-KRWDZBQOSA-N 1 0 424.423 3.586 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(NS(C)(=O)=O)cc1 ZINC000504929197 1000454023 /nfs/dbraw/zinc/45/40/23/1000454023.db2.gz HDYKZHJGYZTZNK-OAHLLOKOSA-N 1 0 409.533 3.627 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCn3ccnc3C2)cc1 ZINC000494465842 1000506644 /nfs/dbraw/zinc/50/66/44/1000506644.db2.gz OCPSMWWRCHRHML-LJQANCHMSA-N 1 0 414.469 3.749 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494496031 1000523967 /nfs/dbraw/zinc/52/39/67/1000523967.db2.gz OEWPMNIJVFNQDO-OXJNMPFZSA-N 1 0 419.865 3.705 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494496032 1000524113 /nfs/dbraw/zinc/52/41/13/1000524113.db2.gz OEWPMNIJVFNQDO-OXQOHEQNSA-N 1 0 419.865 3.705 20 5 HHBDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000494850684 1000694776 /nfs/dbraw/zinc/69/47/76/1000694776.db2.gz MNQDTCASRDKRCK-UHFFFAOYSA-N 1 0 421.519 3.537 20 5 HHBDRO CCC[NH+]1CCC(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000494893378 1000716165 /nfs/dbraw/zinc/71/61/65/1000716165.db2.gz NKOZKDJRNQYKCV-UHFFFAOYSA-N 1 0 402.417 3.535 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000495007852 1000775949 /nfs/dbraw/zinc/77/59/49/1000775949.db2.gz PUAPSEFMBYKQDK-PXNSSMCTSA-N 1 0 408.502 3.932 20 5 HHBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000495098672 1000840493 /nfs/dbraw/zinc/84/04/93/1000840493.db2.gz GFCUOXQCZCOMRI-UHFFFAOYSA-N 1 0 422.407 3.997 20 5 HHBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)C2)C1 ZINC000505537778 1000887019 /nfs/dbraw/zinc/88/70/19/1000887019.db2.gz FOLMFLPDCXMOGH-QHCPKHFHSA-N 1 0 408.502 3.765 20 5 HHBDRO C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000505573371 1000914419 /nfs/dbraw/zinc/91/44/19/1000914419.db2.gz AZYDATLKKNOWIG-YVEFUNNKSA-N 1 0 406.280 3.779 20 5 HHBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000505604007 1000929674 /nfs/dbraw/zinc/92/96/74/1000929674.db2.gz DQKRZKKRWAFSCO-YVEFUNNKSA-N 1 0 406.280 3.779 20 5 HHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)c(F)c1 ZINC000495440592 1001012906 /nfs/dbraw/zinc/01/29/06/1001012906.db2.gz UVBHGBVYTRVFDU-LLVKDONJSA-N 1 0 400.859 3.684 20 5 HHBDRO Cn1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000505854096 1001062870 /nfs/dbraw/zinc/06/28/70/1001062870.db2.gz ZUULSCSPVBNWIX-UHFFFAOYSA-N 1 0 411.893 3.971 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000505905614 1001091833 /nfs/dbraw/zinc/09/18/33/1001091833.db2.gz GIUVSDKSUFPMPO-OALUTQOASA-N 1 0 414.550 3.922 20 5 HHBDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000506021235 1001168635 /nfs/dbraw/zinc/16/86/35/1001168635.db2.gz IIRDMGASGBRXCR-AWEZNQCLSA-N 1 0 415.471 3.695 20 5 HHBDRO CN(C)C(=O)C1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000506111156 1001226829 /nfs/dbraw/zinc/22/68/29/1001226829.db2.gz DBZFMXPEGHFHBF-UHFFFAOYSA-N 1 0 401.438 3.826 20 5 HHBDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000506295519 1001336033 /nfs/dbraw/zinc/33/60/33/1001336033.db2.gz RMDJZRDOMJRPBC-SFHVURJKSA-N 1 0 414.458 3.567 20 5 HHBDRO C[N@@H+]1C[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](c2ccccc2)C1 ZINC000497427870 1001359092 /nfs/dbraw/zinc/35/90/92/1001359092.db2.gz HDWMCYUQNPEDNK-MSOLQXFVSA-N 1 0 408.483 3.546 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000506471464 1001427322 /nfs/dbraw/zinc/42/73/22/1001427322.db2.gz QGPFZAGDUIWRIC-HZPDHXFCSA-N 1 0 408.930 3.773 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506475027 1001429121 /nfs/dbraw/zinc/42/91/21/1001429121.db2.gz RNSUQGMJQYBFHE-NZSAHSFTSA-N 1 0 402.539 3.817 20 5 HHBDRO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000506479469 1001431763 /nfs/dbraw/zinc/43/17/63/1001431763.db2.gz XPDCSGYHBKBTEK-QFIPXVFZSA-N 1 0 405.502 3.702 20 5 HHBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)c(OC)c1 ZINC000506640406 1001479970 /nfs/dbraw/zinc/47/99/70/1001479970.db2.gz YWAXXTLDEROXHD-CJNGLKHVSA-N 1 0 417.462 3.689 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)c1 ZINC000506887746 1001581212 /nfs/dbraw/zinc/58/12/12/1001581212.db2.gz YPTVNFLLOITFHY-QGZVFWFLSA-N 1 0 421.291 3.766 20 5 HHBDRO CN(C(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000506932813 1001600887 /nfs/dbraw/zinc/60/08/87/1001600887.db2.gz QWMMIMXLTKOSKJ-UHFFFAOYSA-N 1 0 418.291 3.989 20 5 HHBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)CCC(F)(F)F ZINC000507082409 1001796412 /nfs/dbraw/zinc/79/64/12/1001796412.db2.gz DCRMIHMIIMRITA-UHFFFAOYSA-N 1 0 401.307 3.618 20 5 HHBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000507113622 1001817341 /nfs/dbraw/zinc/81/73/41/1001817341.db2.gz RQBRVDHKKKVWHU-UHFFFAOYSA-N 1 0 422.529 3.950 20 5 HHBDRO Cc1cccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1[N+](=O)[O-] ZINC000507257838 1001942567 /nfs/dbraw/zinc/94/25/67/1001942567.db2.gz GSPKQCVHKZWPIQ-HXUWFJFHSA-N 1 0 423.513 3.562 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C[C@H](C)O1 ZINC000507297511 1001981070 /nfs/dbraw/zinc/98/10/70/1001981070.db2.gz BOMVNFRLLRVJRP-GASCZTMLSA-N 1 0 417.893 3.787 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)o2)c1 ZINC000498915527 1002309543 /nfs/dbraw/zinc/30/95/43/1002309543.db2.gz FKKQOGMWVNZTAA-INIZCTEOSA-N 1 0 408.462 3.667 20 5 HHBDRO COc1ccccc1C(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000507772623 1002336678 /nfs/dbraw/zinc/33/66/78/1002336678.db2.gz SCBZWLCBPVLFJF-UHFFFAOYSA-N 1 0 422.279 3.829 20 5 HHBDRO CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000508133518 1002666282 /nfs/dbraw/zinc/66/62/82/1002666282.db2.gz KUUJZBLOAUDBAA-NRFANRHFSA-N 1 0 410.518 3.570 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCCCCC[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000508212044 1002743470 /nfs/dbraw/zinc/74/34/70/1002743470.db2.gz WOXDOHWVAUFWCZ-GOSISDBHSA-N 1 0 402.539 3.827 20 5 HHBDRO COc1cc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000508282185 1002792499 /nfs/dbraw/zinc/79/24/99/1002792499.db2.gz ZJLFQHWMVVGWJP-UHFFFAOYSA-N 1 0 407.417 3.837 20 5 HHBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000508786727 1003215991 /nfs/dbraw/zinc/21/59/91/1003215991.db2.gz XNAFHTYLCJSHII-UHFFFAOYSA-N 1 0 418.881 3.651 20 5 HHBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc21)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000508797136 1003225845 /nfs/dbraw/zinc/22/58/45/1003225845.db2.gz TWLVGCMLNQIVTA-FQEVSTJZSA-N 1 0 419.403 3.939 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000500006084 1003329347 /nfs/dbraw/zinc/32/93/47/1003329347.db2.gz CZXPYYOKVIKKEP-LPHOPBHVSA-N 1 0 400.479 3.722 20 5 HHBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(F)(c3ccccc3OC(F)(F)F)CC2)c1 ZINC000500122083 1003484210 /nfs/dbraw/zinc/48/42/10/1003484210.db2.gz ILYQVOYOYSNICI-UHFFFAOYSA-N 1 0 402.348 3.651 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511828775 1003799440 /nfs/dbraw/zinc/79/94/40/1003799440.db2.gz UBAMZZYNCPIHNF-INIZCTEOSA-N 1 0 407.392 3.926 20 5 HHBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000500617370 1003834266 /nfs/dbraw/zinc/83/42/66/1003834266.db2.gz KVBGHNDATFAYKA-ZNMIVQPWSA-N 1 0 402.520 3.815 20 5 HHBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000509423912 1003851785 /nfs/dbraw/zinc/85/17/85/1003851785.db2.gz OZHDIFJVVXRPSQ-UHFFFAOYSA-N 1 0 408.502 3.606 20 5 HHBDRO COc1ccc(-c2ccc(C[NH+]3CCC(C(=O)N(C)C(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000509525416 1003923270 /nfs/dbraw/zinc/92/32/70/1003923270.db2.gz KRGTWKZMWPNYIG-UHFFFAOYSA-N 1 0 415.490 3.942 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512034805 1003970396 /nfs/dbraw/zinc/97/03/96/1003970396.db2.gz JMMQLDVDYWRZBM-KRWDZBQOSA-N 1 0 422.407 3.687 20 5 HHBDRO COc1cc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c([N+](=O)[O-])cc1O ZINC000509601141 1003972808 /nfs/dbraw/zinc/97/28/08/1003972808.db2.gz OEEKIRHSZLAHSD-UHFFFAOYSA-N 1 0 422.363 3.803 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCCC34CC[NH+](C)CC4)cc2[N+](=O)[O-])C1 ZINC000509606807 1003975376 /nfs/dbraw/zinc/97/53/76/1003975376.db2.gz DNPCPGIQJSVWQT-KRWDZBQOSA-N 1 0 400.523 3.532 20 5 HHBDRO C[C@H]1CN([C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])c2c(F)cccc2Cl)CCO1 ZINC000509610602 1003977699 /nfs/dbraw/zinc/97/76/99/1003977699.db2.gz WLDXDZQKSWQFEM-IFXJQAMLSA-N 1 0 407.873 3.939 20 5 HHBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000512077600 1004004525 /nfs/dbraw/zinc/00/45/25/1004004525.db2.gz PXVCPBRECJRVAY-IAGOWNOFSA-N 1 0 411.506 3.625 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000512091707 1004016318 /nfs/dbraw/zinc/01/63/18/1004016318.db2.gz UUUWPFVUWLXCIF-AWEZNQCLSA-N 1 0 400.454 3.621 20 5 HHBDRO O=C(Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000512150883 1004059860 /nfs/dbraw/zinc/05/98/60/1004059860.db2.gz WYVBDRWBGVNJHK-UHFFFAOYSA-N 1 0 423.498 3.626 20 5 HHBDRO C[C@H]1C[C@H](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000509746102 1004067863 /nfs/dbraw/zinc/06/78/63/1004067863.db2.gz MUWVYMIYBGVGRF-ICSRJNTNSA-N 1 0 410.518 3.737 20 5 HHBDRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000512211939 1004112695 /nfs/dbraw/zinc/11/26/95/1004112695.db2.gz JNPIODMFTBMJCE-OAQYLSRUSA-N 1 0 419.485 3.677 20 5 HHBDRO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000512243251 1004146016 /nfs/dbraw/zinc/14/60/16/1004146016.db2.gz JTZMONWLUGZAFJ-UHFFFAOYSA-N 1 0 415.490 3.944 20 5 HHBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512294480 1004197616 /nfs/dbraw/zinc/19/76/16/1004197616.db2.gz XWLPHJOBAOBTNA-MBSDFSHPSA-N 1 0 408.502 3.520 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] ZINC000512293795 1004198014 /nfs/dbraw/zinc/19/80/14/1004198014.db2.gz UUJNQHLLSSGIDT-NTKDMRAZSA-N 1 0 422.529 3.828 20 5 HHBDRO O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000509963730 1004234518 /nfs/dbraw/zinc/23/45/18/1004234518.db2.gz LRBCVHSBKJWKPQ-QGZVFWFLSA-N 1 0 419.428 3.520 20 5 HHBDRO Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000512391324 1004265334 /nfs/dbraw/zinc/26/53/34/1004265334.db2.gz MHDNTMCXSUZDEO-UHFFFAOYSA-N 1 0 402.458 3.779 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC(c2ccccc2)c2ccccc2)cc1 ZINC000512467986 1004324976 /nfs/dbraw/zinc/32/49/76/1004324976.db2.gz HFSPOPMBFXCTOA-UHFFFAOYSA-N 1 0 410.495 3.790 20 5 HHBDRO COc1ccc(C[NH2+]C2(CCO)CCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512502408 1004346899 /nfs/dbraw/zinc/34/68/99/1004346899.db2.gz ZRTPNQKKAHQIIC-UHFFFAOYSA-N 1 0 400.475 3.967 20 5 HHBDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512522494 1004358525 /nfs/dbraw/zinc/35/85/25/1004358525.db2.gz VFBUTXAWCSWYMU-SJLPKXTDSA-N 1 0 413.522 3.512 20 5 HHBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(OC)c1 ZINC000510192567 1004387341 /nfs/dbraw/zinc/38/73/41/1004387341.db2.gz NLZUOGCSCZUKSG-HNNXBMFYSA-N 1 0 407.854 3.945 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000510440354 1004568497 /nfs/dbraw/zinc/56/84/97/1004568497.db2.gz DAFWJLGOHDPAJH-UHFFFAOYSA-N 1 0 410.312 3.756 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000510480296 1004596458 /nfs/dbraw/zinc/59/64/58/1004596458.db2.gz RRVUVXQPASMMCU-CQSZACIVSA-N 1 0 410.312 3.614 20 5 HHBDRO COc1ccc(C[NH2+]C[C@H]2CCOC[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512891704 1004658796 /nfs/dbraw/zinc/65/87/96/1004658796.db2.gz QVNLZIPJPABAOO-VQIMIIECSA-N 1 0 400.475 3.945 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000510533959 1004665844 /nfs/dbraw/zinc/66/58/44/1004665844.db2.gz PMXSXSKDXUMKAL-OAHLLOKOSA-N 1 0 418.291 3.799 20 5 HHBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000513107989 1004810831 /nfs/dbraw/zinc/81/08/31/1004810831.db2.gz JMTNUBGUNPDKRY-UHFFFAOYSA-N 1 0 409.412 3.633 20 5 HHBDRO CC[NH+](CC)CC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000510826109 1004877122 /nfs/dbraw/zinc/87/71/22/1004877122.db2.gz QUGUWTBTWCKOAX-UHFFFAOYSA-N 1 0 400.426 3.782 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000513302482 1004903279 /nfs/dbraw/zinc/90/32/79/1004903279.db2.gz VXXHZHCWZNCCTB-YJBOKZPZSA-N 1 0 417.893 3.796 20 5 HHBDRO COc1ccccc1O[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000513360350 1004925703 /nfs/dbraw/zinc/92/57/03/1004925703.db2.gz AEKSALQNFXZMRP-QGZVFWFLSA-N 1 0 413.474 3.784 20 5 HHBDRO CC1CC[NH+](C2CCC(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)CC1 ZINC000502280765 1004991514 /nfs/dbraw/zinc/99/15/14/1004991514.db2.gz GQUHHUPAEGTKLI-UHFFFAOYSA-N 1 0 400.523 3.942 20 5 HHBDRO Cn1ccnc1[C@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000513718377 1005094831 /nfs/dbraw/zinc/09/48/31/1005094831.db2.gz XTUWXKRBWSNKNY-JOCHJYFZSA-N 1 0 419.529 3.844 20 5 HHBDRO C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511268237 1005099718 /nfs/dbraw/zinc/09/97/18/1005099718.db2.gz VSJTURGUJHYPLL-QWHCGFSZSA-N 1 0 410.312 3.740 20 5 HHBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000513736902 1005103089 /nfs/dbraw/zinc/10/30/89/1005103089.db2.gz OMLJJJMZRGKDIV-QGZVFWFLSA-N 1 0 424.501 3.664 20 5 HHBDRO CCOc1cc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1OCC ZINC000511286826 1005108041 /nfs/dbraw/zinc/10/80/41/1005108041.db2.gz PWOGGJAMGCCOFY-HNNXBMFYSA-N 1 0 408.499 3.636 20 5 HHBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000513786636 1005126236 /nfs/dbraw/zinc/12/62/36/1005126236.db2.gz KOKRGLUYICPYSS-KNBMTAEXSA-N 1 0 417.531 3.565 20 5 HHBDRO Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000513788095 1005127561 /nfs/dbraw/zinc/12/75/61/1005127561.db2.gz KWYJUNNQHOUSLO-DWLFOUALSA-N 1 0 413.518 3.871 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)cc2[N+](=O)[O-])n1 ZINC000511343160 1005131637 /nfs/dbraw/zinc/13/16/37/1005131637.db2.gz KDNVSFGYMAZUCX-CYBMUJFWSA-N 1 0 418.544 3.891 20 5 HHBDRO O=C(C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000502592410 1005131912 /nfs/dbraw/zinc/13/19/12/1005131912.db2.gz FRPQPDCICKKZSD-LJQANCHMSA-N 1 0 424.284 3.832 20 5 HHBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511369918 1005142617 /nfs/dbraw/zinc/14/26/17/1005142617.db2.gz QFAVKQDJJAPRTB-CHWSQXEVSA-N 1 0 410.312 3.740 20 5 HHBDRO C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511386874 1005151731 /nfs/dbraw/zinc/15/17/31/1005151731.db2.gz FWUSSJIVEJIQEF-MJGOQNOKSA-N 1 0 402.539 3.870 20 5 HHBDRO C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511386873 1005151768 /nfs/dbraw/zinc/15/17/68/1005151768.db2.gz FWUSSJIVEJIQEF-IEBWSBKVSA-N 1 0 402.539 3.870 20 5 HHBDRO COc1cc(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000511476782 1005193274 /nfs/dbraw/zinc/19/32/74/1005193274.db2.gz OBZRAQQPHNFZEA-UHFFFAOYSA-N 1 0 403.866 3.605 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000513954962 1005201040 /nfs/dbraw/zinc/20/10/40/1005201040.db2.gz QSSSYJZYBDYKDL-UHFFFAOYSA-N 1 0 412.490 3.776 20 5 HHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000511506466 1005204643 /nfs/dbraw/zinc/20/46/43/1005204643.db2.gz PFNJLHCHRXEZMF-NRFANRHFSA-N 1 0 410.518 3.737 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000511528266 1005211581 /nfs/dbraw/zinc/21/15/81/1005211581.db2.gz DSUNRKXHEDGRTR-GHTZIAJQSA-N 1 0 410.518 3.832 20 5 HHBDRO COc1cccc([C@H]2C[C@H](O)C[N@@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000502807625 1005226302 /nfs/dbraw/zinc/22/63/02/1005226302.db2.gz GLKXNXDWLFTCTJ-AZUAARDMSA-N 1 0 409.442 3.609 20 5 HHBDRO CCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502919993 1005274979 /nfs/dbraw/zinc/27/49/79/1005274979.db2.gz QMWPQOQFUKPLML-KRWDZBQOSA-N 1 0 424.501 3.613 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000503484473 1005434277 /nfs/dbraw/zinc/43/42/77/1005434277.db2.gz FCOSQIBNXDDJPJ-NRFANRHFSA-N 1 0 411.502 3.746 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000503678862 1005479376 /nfs/dbraw/zinc/47/93/76/1005479376.db2.gz HLIKUVHUCUEZAP-UHFFFAOYSA-N 1 0 404.492 3.685 20 5 HHBDRO CC(C)[NH+]1CCN(c2cccc(N[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000504407952 1005620835 /nfs/dbraw/zinc/62/08/35/1005620835.db2.gz JROFEVSTAUDOCX-QGZVFWFLSA-N 1 0 411.506 3.564 20 5 HHBDRO COc1ccccc1C[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000531129766 1006007971 /nfs/dbraw/zinc/00/79/71/1006007971.db2.gz LDLPQYGSRZVLRE-QAPCUYQASA-N 1 0 415.490 3.796 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1cccc(OC)c1 ZINC000514511589 1006014511 /nfs/dbraw/zinc/01/45/11/1006014511.db2.gz INHAOQXTKOEHPG-IBGZPJMESA-N 1 0 416.478 3.817 20 5 HHBDRO CCOc1cc(NC(=O)NCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1OCC ZINC000514823386 1006155495 /nfs/dbraw/zinc/15/54/95/1006155495.db2.gz CMICBIDYGRBEOH-UHFFFAOYSA-N 1 0 408.499 3.636 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534213325 1006207954 /nfs/dbraw/zinc/20/79/54/1006207954.db2.gz JENVYNYTPRDMEI-RTWAWAEBSA-N 1 0 417.554 3.704 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000515021057 1006255108 /nfs/dbraw/zinc/25/51/08/1006255108.db2.gz VNOOFLVRBQHQCJ-DCPHZVHLSA-N 1 0 416.909 3.919 20 5 HHBDRO O=C(NCC(F)(F)F)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000534342228 1006308715 /nfs/dbraw/zinc/30/87/15/1006308715.db2.gz YIWPAMDTKXWUKV-UHFFFAOYSA-N 1 0 411.380 3.745 20 5 HHBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534359108 1006321348 /nfs/dbraw/zinc/32/13/48/1006321348.db2.gz FSVIIBYYSVSFDD-VQTJNVASSA-N 1 0 422.957 3.657 20 5 HHBDRO COc1ccc(NC(=O)CC[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000515241683 1006354902 /nfs/dbraw/zinc/35/49/02/1006354902.db2.gz PGKBWTMREBRUNF-UHFFFAOYSA-N 1 0 423.473 3.688 20 5 HHBDRO Cc1ccc([C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000531706390 1006367696 /nfs/dbraw/zinc/36/76/96/1006367696.db2.gz QTFCDEKJLIBXRC-DNVCBOLYSA-N 1 0 400.479 3.640 20 5 HHBDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000531706391 1006368065 /nfs/dbraw/zinc/36/80/65/1006368065.db2.gz QTFCDEKJLIBXRC-HNAYVOBHSA-N 1 0 400.479 3.640 20 5 HHBDRO Cc1ccc([C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000531705823 1006368075 /nfs/dbraw/zinc/36/80/75/1006368075.db2.gz CQGDTMDEDQOXHL-KXBFYZLASA-N 1 0 400.479 3.640 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[C@H]1c1cccs1 ZINC000531780284 1006420867 /nfs/dbraw/zinc/42/08/67/1006420867.db2.gz KTPBICCSWRTEII-UZLBHIALSA-N 1 0 414.531 3.807 20 5 HHBDRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000531863119 1006483772 /nfs/dbraw/zinc/48/37/72/1006483772.db2.gz BXCPKPPBRLCBGL-OAHLLOKOSA-N 1 0 418.881 3.934 20 5 HHBDRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000515523348 1006513493 /nfs/dbraw/zinc/51/34/93/1006513493.db2.gz STUVMDXJEWRFNT-ZIAGYGMSSA-N 1 0 411.462 3.557 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[NH+]2CCCC2)cc1 ZINC000534626746 1006608448 /nfs/dbraw/zinc/60/84/48/1006608448.db2.gz JEODSUKUSXUZGF-QFIPXVFZSA-N 1 0 406.486 3.880 20 5 HHBDRO Cn1cc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538423301 1006690086 /nfs/dbraw/zinc/69/00/86/1006690086.db2.gz IMGIMLQHIJITCK-KRWDZBQOSA-N 1 0 402.520 3.530 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000532214048 1006726401 /nfs/dbraw/zinc/72/64/01/1006726401.db2.gz RWWBVYDBXNTLRW-MRXNPFEDSA-N 1 0 405.520 3.582 20 5 HHBDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000532219878 1006730365 /nfs/dbraw/zinc/73/03/65/1006730365.db2.gz WCXSZMUYDIHKRV-QGZVFWFLSA-N 1 0 411.502 3.796 20 5 HHBDRO CCCCN(C)C(=O)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532474284 1006914091 /nfs/dbraw/zinc/91/40/91/1006914091.db2.gz MNFFOJUJIKLPCK-UHFFFAOYSA-N 1 0 414.506 3.763 20 5 HHBDRO CC[N@@H+]1CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000532521134 1006958979 /nfs/dbraw/zinc/95/89/79/1006958979.db2.gz MXSJCTIMGAVEHV-HXUWFJFHSA-N 1 0 416.909 3.956 20 5 HHBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC000532554041 1006984993 /nfs/dbraw/zinc/98/49/93/1006984993.db2.gz WXQJLOQDXJBSEK-INIZCTEOSA-N 1 0 413.474 3.855 20 5 HHBDRO CCc1nsc(N2CCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n1 ZINC000538728682 1007007107 /nfs/dbraw/zinc/00/71/07/1007007107.db2.gz QANYPKIDYAUPJT-UHFFFAOYSA-N 1 0 413.503 3.981 20 5 HHBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000538729645 1007008759 /nfs/dbraw/zinc/00/87/59/1007008759.db2.gz HKTVNEDNSOKZMU-OAHLLOKOSA-N 1 0 403.866 3.999 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534962774 1007011978 /nfs/dbraw/zinc/01/19/78/1007011978.db2.gz JOMHNYSICKRECV-QRWLVFNGSA-N 1 0 405.857 3.739 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534962772 1007012441 /nfs/dbraw/zinc/01/24/41/1007012441.db2.gz JOMHNYSICKRECV-FOIQADDNSA-N 1 0 405.857 3.739 20 5 HHBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534965328 1007016341 /nfs/dbraw/zinc/01/63/41/1007016341.db2.gz QULAWTNDNFBMSA-IBGZPJMESA-N 1 0 422.529 3.910 20 5 HHBDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000516341543 1007028217 /nfs/dbraw/zinc/02/82/17/1007028217.db2.gz FLGAANFOHUESDM-UHFFFAOYSA-N 1 0 411.911 3.569 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534972041 1007029211 /nfs/dbraw/zinc/02/92/11/1007029211.db2.gz QJEHQWAJXNELSM-UGSOOPFHSA-N 1 0 406.845 3.591 20 5 HHBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534995052 1007054513 /nfs/dbraw/zinc/05/45/13/1007054513.db2.gz OCENJLHMCYFDAG-UHFFFAOYSA-N 1 0 422.529 3.835 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000538782264 1007063328 /nfs/dbraw/zinc/06/33/28/1007063328.db2.gz BSGSPSTUIFCMMI-KRWDZBQOSA-N 1 0 414.481 3.750 20 5 HHBDRO COc1cc(C[NH+]2CCC(CCO)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000535069067 1007089724 /nfs/dbraw/zinc/08/97/24/1007089724.db2.gz RIDNGGCSLOSUFG-UHFFFAOYSA-N 1 0 400.475 3.777 20 5 HHBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000538874367 1007153609 /nfs/dbraw/zinc/15/36/09/1007153609.db2.gz GWBUBWSDPSJDPC-UHFFFAOYSA-N 1 0 414.531 3.847 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000535209217 1007258497 /nfs/dbraw/zinc/25/84/97/1007258497.db2.gz BBUOTPRTUGOQRW-UHFFFAOYSA-N 1 0 401.463 3.851 20 5 HHBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538974501 1007266025 /nfs/dbraw/zinc/26/60/25/1007266025.db2.gz KFBCLMNOILIRBI-UHFFFAOYSA-N 1 0 411.506 3.528 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)[NH+]2CCCC2)cc1 ZINC000535275614 1007326211 /nfs/dbraw/zinc/32/62/11/1007326211.db2.gz GNEZHOJVGGNCRY-JOCHJYFZSA-N 1 0 424.501 3.508 20 5 HHBDRO Cc1ccc([C@H]2CSCC[N@@H+]2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 ZINC000532979362 1007350852 /nfs/dbraw/zinc/35/08/52/1007350852.db2.gz DKRNJSLFGBQXRS-LJQANCHMSA-N 1 0 413.499 3.991 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539090296 1007378976 /nfs/dbraw/zinc/37/89/76/1007378976.db2.gz LTWFUCDRQRPJBG-RCDICMHDSA-N 1 0 411.458 3.824 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539091648 1007380702 /nfs/dbraw/zinc/38/07/02/1007380702.db2.gz IKYWZEHBJSRUHG-RCDICMHDSA-N 1 0 411.458 3.824 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000517099797 1007410718 /nfs/dbraw/zinc/41/07/18/1007410718.db2.gz CTWWIZXENCLNAU-HXUWFJFHSA-N 1 0 416.909 3.930 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000535377474 1007441303 /nfs/dbraw/zinc/44/13/03/1007441303.db2.gz LNBNLCYYDJALQO-KRWDZBQOSA-N 1 0 417.849 3.700 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000535377475 1007441429 /nfs/dbraw/zinc/44/14/29/1007441429.db2.gz LNBNLCYYDJALQO-QGZVFWFLSA-N 1 0 417.849 3.700 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000535461712 1007525350 /nfs/dbraw/zinc/52/53/50/1007525350.db2.gz AOAFYFATMSADMD-IRXDYDNUSA-N 1 0 404.264 3.533 20 5 HHBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000533194354 1007529977 /nfs/dbraw/zinc/52/99/77/1007529977.db2.gz RRXCZPFZXPBOGJ-FPOVZHCZSA-N 1 0 408.502 3.763 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)c1cccc([N+](=O)[O-])c1 ZINC000539276999 1007571568 /nfs/dbraw/zinc/57/15/68/1007571568.db2.gz SJBLCXJGGNVVIH-LLVKDONJSA-N 1 0 412.309 3.728 20 5 HHBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000539280121 1007576131 /nfs/dbraw/zinc/57/61/31/1007576131.db2.gz VNUHSCOYCLPTBR-SFHVURJKSA-N 1 0 406.280 3.650 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000533299985 1007617005 /nfs/dbraw/zinc/61/70/05/1007617005.db2.gz VICMJKNNEMDMCG-GDBMZVCRSA-N 1 0 401.438 3.949 20 5 HHBDRO O=C1[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCN1CC(F)(F)F ZINC000533307449 1007624325 /nfs/dbraw/zinc/62/43/25/1007624325.db2.gz DVSMOTHBCIAVKC-AWEZNQCLSA-N 1 0 413.421 3.966 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000539327215 1007627077 /nfs/dbraw/zinc/62/70/77/1007627077.db2.gz SJLBHEMDXVOHIN-CQSZACIVSA-N 1 0 401.438 3.836 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2ccccc2)[C@H]2CCCc3ccccc32)c1 ZINC000539334739 1007634849 /nfs/dbraw/zinc/63/48/49/1007634849.db2.gz HWPKRYOYLFGTEW-AKIFATBCSA-N 1 0 406.486 3.603 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3c(Cl)cccc3N3CCCC3)C2)nc1 ZINC000539405594 1007712409 /nfs/dbraw/zinc/71/24/09/1007712409.db2.gz FAFWGSLVLZOFHX-HNNXBMFYSA-N 1 0 401.898 3.930 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000539412847 1007720191 /nfs/dbraw/zinc/72/01/91/1007720191.db2.gz XOYQSDSJWGTFLH-JEUZPXFCSA-N 1 0 401.894 3.925 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1 ZINC000539421662 1007727840 /nfs/dbraw/zinc/72/78/40/1007727840.db2.gz QDSXFQUISIBSRI-CJNGLKHVSA-N 1 0 418.803 3.565 20 5 HHBDRO O=C1[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCN1CC(F)(F)F ZINC000533444309 1007760017 /nfs/dbraw/zinc/76/00/17/1007760017.db2.gz IXWZRGXOLPJHQC-OAHLLOKOSA-N 1 0 413.421 3.966 20 5 HHBDRO C[C@H]1COCCN1CC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000517547680 1007763450 /nfs/dbraw/zinc/76/34/50/1007763450.db2.gz IZDWBIIQOWGUNY-HNNXBMFYSA-N 1 0 405.882 3.851 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000517599479 1007801723 /nfs/dbraw/zinc/80/17/23/1007801723.db2.gz BQAWYMHEHWORKZ-KRWDZBQOSA-N 1 0 402.882 3.770 20 5 HHBDRO Cn1cc(CNc2cccc(C[NH+]3CCC(O)CC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535835730 1007846552 /nfs/dbraw/zinc/84/65/52/1007846552.db2.gz MJOQQOWFURXOQP-UHFFFAOYSA-N 1 0 421.501 3.564 20 5 HHBDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CN1 ZINC000535840884 1007851687 /nfs/dbraw/zinc/85/16/87/1007851687.db2.gz IDUFPFVCZAUIFI-FZKQIMNGSA-N 1 0 403.866 3.999 20 5 HHBDRO CN1CCN([C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2cccs2)CC1 ZINC000517675010 1007890291 /nfs/dbraw/zinc/89/02/91/1007890291.db2.gz MQASRCJNOJYKBX-PMACEKPBSA-N 1 0 400.548 3.612 20 5 HHBDRO CC[NH+](CC)CCNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000517980095 1008084709 /nfs/dbraw/zinc/08/47/09/1008084709.db2.gz COIHPMCTGOKZOV-UHFFFAOYSA-N 1 0 415.515 3.619 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cccc1[N+](=O)[O-] ZINC000536068261 1008096462 /nfs/dbraw/zinc/09/64/62/1008096462.db2.gz YOIMOJWNRXZSAG-QGZVFWFLSA-N 1 0 407.474 3.746 20 5 HHBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000533804938 1008123401 /nfs/dbraw/zinc/12/34/01/1008123401.db2.gz LXETUNPAPPKHOA-QGZVFWFLSA-N 1 0 408.502 3.888 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533807251 1008125619 /nfs/dbraw/zinc/12/56/19/1008125619.db2.gz YZEWFEXJLYBKPE-UWJYYQICSA-N 1 0 408.502 3.573 20 5 HHBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)cc2)CC1 ZINC000539853858 1008141892 /nfs/dbraw/zinc/14/18/92/1008141892.db2.gz RWHNHRWGKUODQV-UHFFFAOYSA-N 1 0 410.518 3.910 20 5 HHBDRO CCN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539861927 1008146150 /nfs/dbraw/zinc/14/61/50/1008146150.db2.gz AOGGTOQLYINTDE-LJQANCHMSA-N 1 0 413.518 3.956 20 5 HHBDRO CCN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539861926 1008146631 /nfs/dbraw/zinc/14/66/31/1008146631.db2.gz AOGGTOQLYINTDE-IBGZPJMESA-N 1 0 413.518 3.956 20 5 HHBDRO COc1cc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539893370 1008168304 /nfs/dbraw/zinc/16/83/04/1008168304.db2.gz XGUWDTLTWIQPIJ-QUCCMNQESA-N 1 0 400.475 3.775 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000518232256 1008216787 /nfs/dbraw/zinc/21/67/87/1008216787.db2.gz UVOUNJAPNPTWKE-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000540160123 1008315773 /nfs/dbraw/zinc/31/57/73/1008315773.db2.gz JJXRUCFBLBBGPQ-NVXWUHKLSA-N 1 0 409.280 3.838 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000540171830 1008321617 /nfs/dbraw/zinc/32/16/17/1008321617.db2.gz BWXHWSJJUIPLQB-QGZVFWFLSA-N 1 0 417.531 3.548 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000540174309 1008322723 /nfs/dbraw/zinc/32/27/23/1008322723.db2.gz ISQUERNMDFOJPW-QGZVFWFLSA-N 1 0 417.531 3.655 20 5 HHBDRO CC[C@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000540180356 1008325311 /nfs/dbraw/zinc/32/53/11/1008325311.db2.gz QZJZINGISXNFEE-QFIPXVFZSA-N 1 0 410.518 3.765 20 5 HHBDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000540214563 1008339056 /nfs/dbraw/zinc/33/90/56/1008339056.db2.gz DDUDSDMBSNVMOQ-UHFFFAOYSA-N 1 0 404.898 3.687 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2[N+](=O)[O-])CC1 ZINC000518616378 1008366778 /nfs/dbraw/zinc/36/67/78/1008366778.db2.gz RWXLUBQWIVVBFZ-IBGZPJMESA-N 1 0 400.523 3.532 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000518620656 1008368421 /nfs/dbraw/zinc/36/84/21/1008368421.db2.gz VVCSOWKXGWFGDC-IEBWSBKVSA-N 1 0 400.523 3.532 20 5 HHBDRO COc1ccc(S(=O)(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000540339157 1008387475 /nfs/dbraw/zinc/38/74/75/1008387475.db2.gz QUDAJRZXBXCSCP-OAHLLOKOSA-N 1 0 419.503 3.779 20 5 HHBDRO CS(=O)(=O)Nc1cccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000518770892 1008416979 /nfs/dbraw/zinc/41/69/79/1008416979.db2.gz FQBABIALFFLAAF-UHFFFAOYSA-N 1 0 417.512 3.985 20 5 HHBDRO Cc1noc(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000518777808 1008418266 /nfs/dbraw/zinc/41/82/66/1008418266.db2.gz XTXBNFWSXXPUIK-UHFFFAOYSA-N 1 0 418.457 3.861 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000540459632 1008440527 /nfs/dbraw/zinc/44/05/27/1008440527.db2.gz VJLGLGSRKFCXTP-UHFFFAOYSA-N 1 0 403.385 3.840 20 5 HHBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000540466718 1008442149 /nfs/dbraw/zinc/44/21/49/1008442149.db2.gz HACFMPMEYIVVJJ-KBPBESRZSA-N 1 0 411.437 3.906 20 5 HHBDRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cnn1-c1ccc(F)cc1 ZINC000540467471 1008442718 /nfs/dbraw/zinc/44/27/18/1008442718.db2.gz KTFRPEBMMQXLJR-AWEZNQCLSA-N 1 0 411.437 3.826 20 5 HHBDRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000540469062 1008443541 /nfs/dbraw/zinc/44/35/41/1008443541.db2.gz DGMMGSJBXNXZNN-UONOGXRCSA-N 1 0 411.437 3.906 20 5 HHBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000519055194 1008512764 /nfs/dbraw/zinc/51/27/64/1008512764.db2.gz WPAIXMIURZHWQR-UHFFFAOYSA-N 1 0 400.479 3.979 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000549009546 1008582263 /nfs/dbraw/zinc/58/22/63/1008582263.db2.gz GZXGGOYQBILDEJ-UHFFFAOYSA-N 1 0 415.515 3.837 20 5 HHBDRO O=C(C[NH2+][C@H](CCO)C1CCCCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000545519828 1008620937 /nfs/dbraw/zinc/62/09/37/1008620937.db2.gz PXCPQSCTBXDDLM-QGZVFWFLSA-N 1 0 418.519 3.578 20 5 HHBDRO Cn1cc(C[NH2+]Cc2ccccc2Cn2ccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000549179594 1008752017 /nfs/dbraw/zinc/75/20/17/1008752017.db2.gz TZMRLHWKDQRBTO-UHFFFAOYSA-N 1 0 402.458 3.530 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000543267605 1008840477 /nfs/dbraw/zinc/84/04/77/1008840477.db2.gz FPWANYWCEJPIFK-INIZCTEOSA-N 1 0 411.886 3.899 20 5 HHBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000519720071 1008974006 /nfs/dbraw/zinc/97/40/06/1008974006.db2.gz DPKGOTUAUPFXGN-DEOSSOPVSA-N 1 0 416.481 3.881 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCN(c4cc[nH+]c5ccccc54)CC3)n2)c1 ZINC000519722763 1008977951 /nfs/dbraw/zinc/97/79/51/1008977951.db2.gz LGGINRQTBKUGFD-UHFFFAOYSA-N 1 0 416.441 3.515 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](CCCN1CCOCC1)Cc1ccncc1 ZINC000519725360 1008979042 /nfs/dbraw/zinc/97/90/42/1008979042.db2.gz PKYLFTRRKZJPSE-SILNSSARSA-N 1 0 410.518 3.618 20 5 HHBDRO COc1ccc(-c2ccc(C[NH+]3CCC(OC[C@H]4CCOC4)CC3)o2)c([N+](=O)[O-])c1 ZINC000543414471 1009006213 /nfs/dbraw/zinc/00/62/13/1009006213.db2.gz CXLHJEJINVZHGK-INIZCTEOSA-N 1 0 416.474 3.881 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@H]2CCc2ccccc2)cc1 ZINC000545949149 1009014327 /nfs/dbraw/zinc/01/43/27/1009014327.db2.gz SWLWKEPTPYPECD-RXVVDRJESA-N 1 0 402.516 3.760 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@@H]2CCc2ccccc2)cc1 ZINC000545949150 1009015461 /nfs/dbraw/zinc/01/54/61/1009015461.db2.gz SWLWKEPTPYPECD-WIYYLYMNSA-N 1 0 402.516 3.760 20 5 HHBDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)CCN2C2CC2)c1 ZINC000549476698 1009073258 /nfs/dbraw/zinc/07/32/58/1009073258.db2.gz OPMSBDGQDYVPMW-AVRDEDQJSA-N 1 0 408.458 3.812 20 5 HHBDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)CCN2C2CC2)c1 ZINC000549476705 1009073626 /nfs/dbraw/zinc/07/36/26/1009073626.db2.gz OPMSBDGQDYVPMW-XMSQKQJNSA-N 1 0 408.458 3.812 20 5 HHBDRO Cc1cc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549524245 1009133580 /nfs/dbraw/zinc/13/35/80/1009133580.db2.gz IHZOLSISYCPHNK-SNVBAGLBSA-N 1 0 401.414 3.669 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543595301 1009201387 /nfs/dbraw/zinc/20/13/87/1009201387.db2.gz MMKJEJQWMUQXDL-HEFCMCLBSA-N 1 0 401.438 3.961 20 5 HHBDRO COc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)ccc1[N+](=O)[O-] ZINC000549615364 1009243540 /nfs/dbraw/zinc/24/35/40/1009243540.db2.gz DIZQTIGZUZTYJQ-IBGZPJMESA-N 1 0 411.502 3.944 20 5 HHBDRO C[C@@H]([NH2+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCOCC1)c1ccccc1 ZINC000543640940 1009244984 /nfs/dbraw/zinc/24/49/84/1009244984.db2.gz IMQQNMGQWDNMTD-OAHLLOKOSA-N 1 0 416.453 3.755 20 5 HHBDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000543640721 1009245078 /nfs/dbraw/zinc/24/50/78/1009245078.db2.gz ZGFXXKSUWDGHFH-UHFFFAOYSA-N 1 0 416.453 3.776 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H](C)c2nccs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543643655 1009247721 /nfs/dbraw/zinc/24/77/21/1009247721.db2.gz LZNUHYFAPDQFAZ-SNVBAGLBSA-N 1 0 405.398 3.894 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000520105246 1009262346 /nfs/dbraw/zinc/26/23/46/1009262346.db2.gz NLJJLRXXHJFULA-UHFFFAOYSA-N 1 0 409.408 3.747 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000520150704 1009301308 /nfs/dbraw/zinc/30/13/08/1009301308.db2.gz AMZRMPKMPXKUKN-OTWHNJEPSA-N 1 0 416.566 3.927 20 5 HHBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000520208441 1009343801 /nfs/dbraw/zinc/34/38/01/1009343801.db2.gz XRWZQNJFZAZLIT-LBPRGKRZSA-N 1 0 405.252 3.992 20 5 HHBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000543893713 1009474432 /nfs/dbraw/zinc/47/44/32/1009474432.db2.gz HISSHATVIBSGEZ-UHFFFAOYSA-N 1 0 400.479 3.979 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000543894816 1009476346 /nfs/dbraw/zinc/47/63/46/1009476346.db2.gz UCZYHMXAIZKOJJ-UHFFFAOYSA-N 1 0 402.539 3.825 20 5 HHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000549859813 1009478739 /nfs/dbraw/zinc/47/87/39/1009478739.db2.gz ARMNUUUNSGCDDV-UHFFFAOYSA-N 1 0 401.429 3.690 20 5 HHBDRO COc1cc(C[NH2+]C[C@@]2(O)CCCC2(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000549861650 1009480853 /nfs/dbraw/zinc/48/08/53/1009480853.db2.gz XPGJCQZTODAPNF-KRWDZBQOSA-N 1 0 406.401 3.575 20 5 HHBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000546536252 1009557324 /nfs/dbraw/zinc/55/73/24/1009557324.db2.gz SUGIQQNMDVQECL-GOSISDBHSA-N 1 0 413.493 3.992 20 5 HHBDRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000543979666 1009580906 /nfs/dbraw/zinc/58/09/06/1009580906.db2.gz YKCDCYNAZNGSDO-NSHDSACASA-N 1 0 407.268 3.604 20 5 HHBDRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)nc12 ZINC000546766030 1009733962 /nfs/dbraw/zinc/73/39/62/1009733962.db2.gz PPWGKISEDUIRAR-UHFFFAOYSA-N 1 0 403.280 3.954 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000544205500 1009810701 /nfs/dbraw/zinc/81/07/01/1009810701.db2.gz VDQJIZABTCKNDI-QGZVFWFLSA-N 1 0 423.922 3.768 20 5 HHBDRO CCc1ccc([C@H](NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544380881 1010005447 /nfs/dbraw/zinc/00/54/47/1010005447.db2.gz GIEGBTFSVKYIDB-FUPPJEDESA-N 1 0 413.518 3.807 20 5 HHBDRO COc1ccc(C[NH2+]CCCN2CCN(c3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000520962163 1010008209 /nfs/dbraw/zinc/00/82/09/1010008209.db2.gz RXEJMUGSHCMZSF-UHFFFAOYSA-N 1 0 418.925 3.559 20 5 HHBDRO C[NH+](C)CCOc1cccc(-c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)c1 ZINC000547089268 1010039611 /nfs/dbraw/zinc/03/96/11/1010039611.db2.gz UEZYIWWGPHBFNZ-UHFFFAOYSA-N 1 0 420.372 3.854 20 5 HHBDRO CC(C)[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nnc2ccccn21 ZINC000544433470 1010057634 /nfs/dbraw/zinc/05/76/34/1010057634.db2.gz KBERNCNWCKOCNH-FQEVSTJZSA-N 1 0 406.446 3.822 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000521037396 1010067483 /nfs/dbraw/zinc/06/74/83/1010067483.db2.gz LLMNCJCWWYNTMM-FQEVSTJZSA-N 1 0 411.506 3.555 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC000550645536 1010080185 /nfs/dbraw/zinc/08/01/85/1010080185.db2.gz WUYDUDPHZTUUTE-LJQANCHMSA-N 1 0 402.882 3.619 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000550668225 1010092438 /nfs/dbraw/zinc/09/24/38/1010092438.db2.gz RWJRHXLHKRTLKN-INIZCTEOSA-N 1 0 421.419 3.908 20 5 HHBDRO C[NH+](C)Cc1cc(-c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)ccc1F ZINC000547168714 1010111884 /nfs/dbraw/zinc/11/18/84/1010111884.db2.gz WLXGNUIYYVDPJO-UHFFFAOYSA-N 1 0 408.393 3.698 20 5 HHBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000544525523 1010154759 /nfs/dbraw/zinc/15/47/59/1010154759.db2.gz HYNBZOJXZFJLRT-UZLBHIALSA-N 1 0 417.437 3.533 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000547257173 1010204430 /nfs/dbraw/zinc/20/44/30/1010204430.db2.gz ODADLOGQGBYZRI-HNNXBMFYSA-N 1 0 414.481 3.748 20 5 HHBDRO CC(C)(C)c1ccc(Oc2ccc(C[NH2+][C@@]3(CO)CCOC3)cc2[N+](=O)[O-])cc1 ZINC000544595087 1010220970 /nfs/dbraw/zinc/22/09/70/1010220970.db2.gz QAHDJWVIZRZERR-JOCHJYFZSA-N 1 0 400.475 3.926 20 5 HHBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)c2)CC1 ZINC000544622013 1010246433 /nfs/dbraw/zinc/24/64/33/1010246433.db2.gz PUDINEHDRGRAME-UHFFFAOYSA-N 1 0 401.442 3.908 20 5 HHBDRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000521328373 1010309905 /nfs/dbraw/zinc/30/99/05/1010309905.db2.gz PGVFUXMXKJZYRO-UHFFFAOYSA-N 1 0 414.437 3.801 20 5 HHBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000521358079 1010329740 /nfs/dbraw/zinc/32/97/40/1010329740.db2.gz MRMVOGNUECOQTJ-UHFFFAOYSA-N 1 0 412.490 3.577 20 5 HHBDRO CCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544850427 1010435298 /nfs/dbraw/zinc/43/52/98/1010435298.db2.gz AYNAPEJHBJUHQP-NRFANRHFSA-N 1 0 419.485 3.517 20 5 HHBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(-n2cccn2)c(F)c1 ZINC000551239670 1010458670 /nfs/dbraw/zinc/45/86/70/1010458670.db2.gz ZGWUFSSYWYISJF-LSDHHAIUSA-N 1 0 411.437 3.988 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000521574961 1010474409 /nfs/dbraw/zinc/47/44/09/1010474409.db2.gz HZGKIXRLEPYAJQ-CQSZACIVSA-N 1 0 423.872 3.745 20 5 HHBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548093031 1010527507 /nfs/dbraw/zinc/52/75/07/1010527507.db2.gz BJTDQPUPSLSFBE-UHFFFAOYSA-N 1 0 422.529 3.835 20 5 HHBDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000545170506 1010667273 /nfs/dbraw/zinc/66/72/73/1010667273.db2.gz JMKPPRRPYGLXRZ-GOSISDBHSA-N 1 0 412.446 3.688 20 5 HHBDRO O=C(CC[NH2+]CC1(c2cccc(Cl)c2)CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000548761161 1010724490 /nfs/dbraw/zinc/72/44/90/1010724490.db2.gz DFBHERIYGSUCLX-UHFFFAOYSA-N 1 0 417.893 3.915 20 5 HHBDRO CC(C)C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000522054578 1010782926 /nfs/dbraw/zinc/78/29/26/1010782926.db2.gz ABABZMRDPKTZDU-FUHWJXTLSA-N 1 0 405.520 3.639 20 5 HHBDRO C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@@H+]1CCc2ccccc2C1 ZINC000522101721 1010812329 /nfs/dbraw/zinc/81/23/29/1010812329.db2.gz HBUUZWHUGDYXQB-HNNXBMFYSA-N 1 0 422.510 3.895 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000522205663 1010865112 /nfs/dbraw/zinc/86/51/12/1010865112.db2.gz UCBQHENSCGSAHN-INIZCTEOSA-N 1 0 414.481 3.675 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](COc1ccccc1F)C(C)(C)C ZINC000540589230 1011244790 /nfs/dbraw/zinc/24/47/90/1011244790.db2.gz RIVRUXHOOGYTNN-LJQANCHMSA-N 1 0 419.453 3.764 20 5 HHBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000536201877 1011346653 /nfs/dbraw/zinc/34/66/53/1011346653.db2.gz VEKFCTZPBZRGGH-DEOSSOPVSA-N 1 0 422.529 3.835 20 5 HHBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000522914532 1011359993 /nfs/dbraw/zinc/35/99/93/1011359993.db2.gz MXBRTYJHXYDPGG-UHFFFAOYSA-N 1 0 424.501 3.523 20 5 HHBDRO C[N@H+](CCOc1cccc(CNc2ncc([N+](=O)[O-])cc2Cl)c1)C1CCOCC1 ZINC000522936002 1011378051 /nfs/dbraw/zinc/37/80/51/1011378051.db2.gz ZLLYJXMWVSGYDD-UHFFFAOYSA-N 1 0 420.897 3.745 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000536261302 1011426107 /nfs/dbraw/zinc/42/61/07/1011426107.db2.gz BHBRQCSZVWTBPQ-UZLBHIALSA-N 1 0 403.866 3.579 20 5 HHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000540772623 1011429606 /nfs/dbraw/zinc/42/96/06/1011429606.db2.gz KXPUWDGUOIXUQT-UHFFFAOYSA-N 1 0 422.595 3.585 20 5 HHBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000523161512 1011643509 /nfs/dbraw/zinc/64/35/09/1011643509.db2.gz IZOQMUATCYOQGX-SFHVURJKSA-N 1 0 405.458 3.836 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000541025920 1011661741 /nfs/dbraw/zinc/66/17/41/1011661741.db2.gz FNPZGCVDXKYKKK-OAHLLOKOSA-N 1 0 409.389 3.665 20 5 HHBDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]2C ZINC000541059688 1011699815 /nfs/dbraw/zinc/69/98/15/1011699815.db2.gz NLJRPGNHELHLLH-CABCVRRESA-N 1 0 413.474 3.948 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CCN(C)[C@H](C)[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000536587906 1011750089 /nfs/dbraw/zinc/75/00/89/1011750089.db2.gz CZUMABZCIWAWBO-CHWSQXEVSA-N 1 0 406.533 3.676 20 5 HHBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000536663028 1011811961 /nfs/dbraw/zinc/81/19/61/1011811961.db2.gz RLHWDGBHCPVGSM-ZFWWWQNUSA-N 1 0 419.444 3.849 20 5 HHBDRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000536665494 1011816621 /nfs/dbraw/zinc/81/66/21/1011816621.db2.gz MQADHIKPOORRAY-GFCCVEGCSA-N 1 0 422.279 3.705 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000551812149 1011969612 /nfs/dbraw/zinc/96/96/12/1011969612.db2.gz BSOJEQADBMZZNP-CMJOXMDJSA-N 1 0 422.485 3.979 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000523486110 1012002413 /nfs/dbraw/zinc/00/24/13/1012002413.db2.gz WDZSMGPVAOZNAK-FQEVSTJZSA-N 1 0 411.502 3.834 20 5 HHBDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000536805759 1012027790 /nfs/dbraw/zinc/02/77/90/1012027790.db2.gz JTTVLUYORRPCJL-MRXNPFEDSA-N 1 0 403.504 3.620 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000536806274 1012029066 /nfs/dbraw/zinc/02/90/66/1012029066.db2.gz KXFPFYCWXSKOFX-MRXNPFEDSA-N 1 0 403.504 3.539 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000536834738 1012064339 /nfs/dbraw/zinc/06/43/39/1012064339.db2.gz XZEBUDYDBXOMOL-MRXNPFEDSA-N 1 0 405.520 3.519 20 5 HHBDRO Cn1ccnc1[C@@H](NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000552045936 1012065806 /nfs/dbraw/zinc/06/58/06/1012065806.db2.gz TYDHPEAAMKWFDD-UXHICEINSA-N 1 0 413.909 3.964 20 5 HHBDRO Cn1ccnc1[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000552046368 1012065904 /nfs/dbraw/zinc/06/59/04/1012065904.db2.gz FYNLJURWZMKTCS-NZQKXSOJSA-N 1 0 419.529 3.572 20 5 HHBDRO C[C@H]([NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000536839345 1012068658 /nfs/dbraw/zinc/06/86/58/1012068658.db2.gz LDYIRDKTAQQJDU-HNNXBMFYSA-N 1 0 421.494 3.628 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000536843809 1012073815 /nfs/dbraw/zinc/07/38/15/1012073815.db2.gz FTNSKOLKOZNVRY-INIZCTEOSA-N 1 0 406.529 3.585 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000552058189 1012075459 /nfs/dbraw/zinc/07/54/59/1012075459.db2.gz ZDWYJLFGCLYIHI-FUHWJXTLSA-N 1 0 405.401 3.710 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)[NH+]2CCCC2)o1 ZINC000523549172 1012084506 /nfs/dbraw/zinc/08/45/06/1012084506.db2.gz BNQNEXXJXMQESL-MRXNPFEDSA-N 1 0 422.279 3.826 20 5 HHBDRO Cc1c([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)nnn1-c1cccc(Cl)c1 ZINC000536857976 1012091133 /nfs/dbraw/zinc/09/11/33/1012091133.db2.gz KYLQEKNELDSPLL-ZDUSSCGKSA-N 1 0 401.854 3.867 20 5 HHBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000536873167 1012114315 /nfs/dbraw/zinc/11/43/15/1012114315.db2.gz ZYXZEQLYLULBEZ-SJCJKPOMSA-N 1 0 409.364 3.950 20 5 HHBDRO O=C([C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000552325921 1012335527 /nfs/dbraw/zinc/33/55/27/1012335527.db2.gz DFVTVDPRXUDNAX-HXUWFJFHSA-N 1 0 415.440 3.637 20 5 HHBDRO COc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1[N+](=O)[O-] ZINC000552414755 1012429679 /nfs/dbraw/zinc/42/96/79/1012429679.db2.gz BKTNDZKUTSOUCE-INIZCTEOSA-N 1 0 405.401 3.699 20 5 HHBDRO COc1cc(C)c([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000537093278 1012452080 /nfs/dbraw/zinc/45/20/80/1012452080.db2.gz GECXXEAYZFRNGC-OAHLLOKOSA-N 1 0 401.463 3.908 20 5 HHBDRO CCSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000537101245 1012465516 /nfs/dbraw/zinc/46/55/16/1012465516.db2.gz FEAHJWLLQKFAEV-GFCCVEGCSA-N 1 0 403.460 3.725 20 5 HHBDRO CN(C(=O)C[NH2+][C@@H](COc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000537116752 1012494165 /nfs/dbraw/zinc/49/41/65/1012494165.db2.gz VOGUUVXGRUQPPW-QFIPXVFZSA-N 1 0 405.454 3.968 20 5 HHBDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1)C[C@@H]1CCCCO1 ZINC000537118406 1012497758 /nfs/dbraw/zinc/49/77/58/1012497758.db2.gz KOEQZAVOQBTSHX-IBGZPJMESA-N 1 0 414.506 3.965 20 5 HHBDRO O=C(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000537132698 1012517902 /nfs/dbraw/zinc/51/79/02/1012517902.db2.gz MSYCMTSHEDJJGS-AUUYWEPGSA-N 1 0 403.866 3.944 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)CCCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000537178874 1012587188 /nfs/dbraw/zinc/58/71/88/1012587188.db2.gz FNVHYUOLXUZIRP-INIZCTEOSA-N 1 0 403.454 3.620 20 5 HHBDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1 ZINC000537222374 1012649881 /nfs/dbraw/zinc/64/98/81/1012649881.db2.gz XQUUXYSFZHHDMX-FYYVMTAXSA-N 1 0 417.849 3.902 20 5 HHBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])o1 ZINC000537246868 1012691312 /nfs/dbraw/zinc/69/13/12/1012691312.db2.gz SCYINSLYYCDQSG-UHFFFAOYSA-N 1 0 408.458 3.762 20 5 HHBDRO C[NH+](C)CCOc1cccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000523957382 1012700612 /nfs/dbraw/zinc/70/06/12/1012700612.db2.gz WBSBIPZNJBCCLG-UHFFFAOYSA-N 1 0 407.854 3.596 20 5 HHBDRO NC(=O)c1ccc(C[N@@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000537289815 1012747666 /nfs/dbraw/zinc/74/76/66/1012747666.db2.gz IJXCIRVNXKCEAO-UHFFFAOYSA-N 1 0 423.300 3.713 20 5 HHBDRO COCCC(=O)N1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000537320042 1012778050 /nfs/dbraw/zinc/77/80/50/1012778050.db2.gz ZHWYFDXGMDSCBP-UHFFFAOYSA-N 1 0 421.881 3.625 20 5 HHBDRO NC(=O)[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1Cl ZINC000537432809 1012921117 /nfs/dbraw/zinc/92/11/17/1012921117.db2.gz CKGXJTMCNCZONY-MRXNPFEDSA-N 1 0 413.861 3.942 20 5 HHBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000760279118 1071820130 /nfs/dbraw/zinc/82/01/30/1071820130.db2.gz HRLDNIZGAGONLQ-UHFFFAOYSA-N 1 0 413.453 3.986 20 5 HHBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001127033814 1072179458 /nfs/dbraw/zinc/17/94/58/1072179458.db2.gz CBCYIUXOICEPHR-UHFFFAOYSA-N 1 0 411.458 3.913 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000737691983 1072214031 /nfs/dbraw/zinc/21/40/31/1072214031.db2.gz PBVMNEIQIURWOJ-SFHVURJKSA-N 1 0 400.523 3.676 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)n1 ZINC000587192465 1072518334 /nfs/dbraw/zinc/51/83/34/1072518334.db2.gz VTOJJUKZIRWKJI-QGZVFWFLSA-N 1 0 404.854 3.679 20 5 HHBDRO Nc1cc(NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc(CO)c1[N+](=O)[O-] ZINC000587240162 1072531360 /nfs/dbraw/zinc/53/13/60/1072531360.db2.gz ZUKHTAODXXMIMC-HXUWFJFHSA-N 1 0 424.526 3.942 20 5 HHBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000571699241 1072700272 /nfs/dbraw/zinc/70/02/72/1072700272.db2.gz OXSOWJVVEAXRHK-QGZVFWFLSA-N 1 0 424.501 3.724 20 5 HHBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555130347 1073181989 /nfs/dbraw/zinc/18/19/89/1073181989.db2.gz CAIFDWDNSFJIJT-NVXWUHKLSA-N 1 0 409.893 3.825 20 5 HHBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000572200296 1073226391 /nfs/dbraw/zinc/22/63/91/1073226391.db2.gz SEYHZECHUITZFR-UHFFFAOYSA-N 1 0 407.442 3.603 20 5 HHBDRO CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000555368158 1073375778 /nfs/dbraw/zinc/37/57/78/1073375778.db2.gz LVBFGCYUXNYHCZ-UHFFFAOYSA-N 1 0 412.538 3.964 20 5 HHBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 ZINC000555560608 1073630578 /nfs/dbraw/zinc/63/05/78/1073630578.db2.gz GLVRJFLERYUYTK-UHFFFAOYSA-N 1 0 420.469 3.527 20 5 HHBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000590442069 1073836212 /nfs/dbraw/zinc/83/62/12/1073836212.db2.gz GCQVZAZNXFEEHS-KSSFIOAISA-N 1 0 401.850 3.817 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000555848705 1073899815 /nfs/dbraw/zinc/89/98/15/1073899815.db2.gz CSOVVBGFNQPBFH-AWEZNQCLSA-N 1 0 410.312 3.614 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cn(-c4ccc(F)c(Cl)c4)nn3)c2c1 ZINC000573358671 1074354948 /nfs/dbraw/zinc/35/49/48/1074354948.db2.gz NJMNOGCQBGOKIO-UHFFFAOYSA-N 1 0 414.828 3.782 20 5 HHBDRO CN1CC[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000573409545 1074401105 /nfs/dbraw/zinc/40/11/05/1074401105.db2.gz WAYWTTVSXZOYSO-MJGOQNOKSA-N 1 0 423.300 3.875 20 5 HHBDRO CN1CC[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000573409538 1074401116 /nfs/dbraw/zinc/40/11/16/1074401116.db2.gz WAYWTTVSXZOYSO-HKUYNNGSSA-N 1 0 423.300 3.875 20 5 HHBDRO CC1CC[NH+]([C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c2cccs2)CC1 ZINC000591719437 1074482016 /nfs/dbraw/zinc/48/20/16/1074482016.db2.gz TUUHWYMAZKZIDM-MRXNPFEDSA-N 1 0 417.487 3.588 20 5 HHBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc1Cl ZINC001164387116 718814337 /nfs/dbraw/zinc/81/43/37/718814337.db2.gz DARUKGIFWAUZBU-GFCCVEGCSA-N 1 0 414.762 3.699 20 5 HHBDRO COc1cc2ncnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2cc1[N+](=O)[O-] ZINC001164620454 719079956 /nfs/dbraw/zinc/07/99/56/719079956.db2.gz FBLTZBRZIAKZMZ-LAUBAEHRSA-N 1 0 419.485 3.647 20 5 HHBDRO CSc1nc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164629639 719081404 /nfs/dbraw/zinc/08/14/04/719081404.db2.gz YIOCQCSKEWLENR-CABCVRRESA-N 1 0 419.938 3.861 20 5 HHBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3ccc4cccnc4c3n1)C2 ZINC001164809777 720089750 /nfs/dbraw/zinc/08/97/50/720089750.db2.gz KFFRWZUJEQUABA-BWKNWUBXSA-N 1 0 402.542 3.968 20 5 HHBDRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001164735311 720542748 /nfs/dbraw/zinc/54/27/48/720542748.db2.gz OPNPENJFIYUEFG-CYBMUJFWSA-N 1 0 418.872 3.704 20 5 HHBDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836324 720571705 /nfs/dbraw/zinc/57/17/05/720571705.db2.gz JOOXSIBSFHVNJR-IRFCIJBXSA-N 1 0 420.517 3.717 20 5 HHBDRO c1cncc(CO[C@H]2C[C@H]3CN(c4ccc5ccc6cccnc6c5n4)CC[N@@H+]3C2)c1 ZINC001164868658 721066240 /nfs/dbraw/zinc/06/62/40/721066240.db2.gz PCSIBLJPOHGNJP-VXKWHMMOSA-N 1 0 411.509 3.658 20 5 HHBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)CC2 ZINC001164791945 721497398 /nfs/dbraw/zinc/49/73/98/721497398.db2.gz FZTCNXUPMCVEDA-UHFFFAOYSA-N 1 0 406.490 3.747 20 5 HHBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906114 721584854 /nfs/dbraw/zinc/58/48/54/721584854.db2.gz LNHHPCOLRCKTPK-GOSISDBHSA-N 1 0 423.851 3.776 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908310 721709614 /nfs/dbraw/zinc/70/96/14/721709614.db2.gz WYWGOOIGBJRCRG-HXUWFJFHSA-N 1 0 417.460 3.739 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC001165024527 721800774 /nfs/dbraw/zinc/80/07/74/721800774.db2.gz LOLZSUYWCODVCS-LSBZLQRGSA-N 1 0 401.898 3.775 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)ncc3[N+](=O)[O-])C[C@@H]21 ZINC001165025434 721804845 /nfs/dbraw/zinc/80/48/45/721804845.db2.gz OHWBJIHFZIPVLU-HYVNUMGLSA-N 1 0 401.898 3.775 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC001165026023 721805176 /nfs/dbraw/zinc/80/51/76/721805176.db2.gz PWKNTLHAFFHEIA-XWFZLUIHSA-N 1 0 418.501 3.670 20 5 HHBDRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)C1 ZINC001165037924 721899593 /nfs/dbraw/zinc/89/95/93/721899593.db2.gz OCPNWGBNFNHSCU-GFCCVEGCSA-N 1 0 411.840 3.781 20 5 HHBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)cnc2c1 ZINC001164995221 722195856 /nfs/dbraw/zinc/19/58/56/722195856.db2.gz SRCFWILLTXEEPG-JOCHJYFZSA-N 1 0 407.449 3.922 20 5 HHBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c21 ZINC001164994269 722212406 /nfs/dbraw/zinc/21/24/06/722212406.db2.gz AAMOPBWIFGZATF-QFIPXVFZSA-N 1 0 407.449 3.922 20 5 HHBDRO Cn1c(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000301280921 970848442 /nfs/dbraw/zinc/84/84/42/970848442.db2.gz KKLWNDBEZWMJON-MRXNPFEDSA-N 1 0 423.498 3.573 20 5 HHBDRO Cn1c(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000301298156 970855323 /nfs/dbraw/zinc/85/53/23/970855323.db2.gz SSJKHCBTSFYCDJ-UHFFFAOYSA-N 1 0 423.498 3.573 20 5 HHBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000301468199 970943730 /nfs/dbraw/zinc/94/37/30/970943730.db2.gz YZAFHEZGNNUDOK-KRWDZBQOSA-N 1 0 410.474 3.652 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301560826 970979710 /nfs/dbraw/zinc/97/97/10/970979710.db2.gz UNMQICAXXJMQFR-GOSISDBHSA-N 1 0 408.502 3.542 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000301606941 971000212 /nfs/dbraw/zinc/00/02/12/971000212.db2.gz YYVRMHBDMBIOLN-UZLBHIALSA-N 1 0 408.502 3.810 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301677914 971025097 /nfs/dbraw/zinc/02/50/97/971025097.db2.gz IHOZFDMLBJNLTC-HNNXBMFYSA-N 1 0 410.474 3.770 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1 ZINC000301677877 971025156 /nfs/dbraw/zinc/02/51/56/971025156.db2.gz IFOXJTSETFEEQO-OAHLLOKOSA-N 1 0 410.474 3.912 20 5 HHBDRO CC1CC[NH+]([C@@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c2cccs2)CC1 ZINC000301690276 971029777 /nfs/dbraw/zinc/02/97/77/971029777.db2.gz NJKLKWCRJLEOEN-KRWDZBQOSA-N 1 0 416.503 3.872 20 5 HHBDRO O=c1[nH]cnc2cc(N3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)c([N+](=O)[O-])cc21 ZINC000301724915 971042722 /nfs/dbraw/zinc/04/27/22/971042722.db2.gz UHIDWOMUVGKRPA-PXNSSMCTSA-N 1 0 419.485 3.735 20 5 HHBDRO O=c1[nH]cnc2cc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)c([N+](=O)[O-])cc21 ZINC000301724914 971043070 /nfs/dbraw/zinc/04/30/70/971043070.db2.gz UHIDWOMUVGKRPA-FXAWDEMLSA-N 1 0 419.485 3.735 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301901094 971107036 /nfs/dbraw/zinc/10/70/36/971107036.db2.gz VHXYOBHJNOZBTH-MRXNPFEDSA-N 1 0 417.531 3.842 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000302075611 971170208 /nfs/dbraw/zinc/17/02/08/971170208.db2.gz WAYCZRYIUQJVFS-IAGOWNOFSA-N 1 0 400.523 3.578 20 5 HHBDRO CNC(=O)c1ccc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC000302183261 971200766 /nfs/dbraw/zinc/20/07/66/971200766.db2.gz SKWZWXIVULUXPG-VAMGGRTRSA-N 1 0 408.502 3.667 20 5 HHBDRO Cc1cc(NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c2cc(F)ccc2[nH+]1 ZINC000302400458 971233143 /nfs/dbraw/zinc/23/31/43/971233143.db2.gz DVMOQUIMQHFEIE-UHFFFAOYSA-N 1 0 418.450 3.518 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000537548144 1013066560 /nfs/dbraw/zinc/06/65/60/1013066560.db2.gz IEIBZNZCVJROOD-KRWDZBQOSA-N 1 0 423.517 3.863 20 5 HHBDRO O=[N+]([O-])c1ccc(Br)cc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000302869544 971364357 /nfs/dbraw/zinc/36/43/57/971364357.db2.gz AXDVAQOXUPUSOY-KRWDZBQOSA-N 1 0 420.307 3.926 20 5 HHBDRO CCOc1cc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c([N+](=O)[O-])cc1OC ZINC000303013629 971454614 /nfs/dbraw/zinc/45/46/14/971454614.db2.gz KBMICXSLAFKWRX-QGZVFWFLSA-N 1 0 419.522 3.586 20 5 HHBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000303175978 971543549 /nfs/dbraw/zinc/54/35/49/971543549.db2.gz CDVPNLVFXVHKJQ-QZTJIDSGSA-N 1 0 404.555 3.737 20 5 HHBDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000303326949 971632849 /nfs/dbraw/zinc/63/28/49/971632849.db2.gz BAAYGUCCZHZOID-CYBMUJFWSA-N 1 0 411.911 3.656 20 5 HHBDRO O=C(C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303444097 971736363 /nfs/dbraw/zinc/73/63/63/971736363.db2.gz GLGQDNLEZZQSEP-UHFFFAOYSA-N 1 0 422.460 3.984 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000303549784 971847664 /nfs/dbraw/zinc/84/76/64/971847664.db2.gz HCAWGIBNFMPFCH-JKSUJKDBSA-N 1 0 408.930 3.773 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000303572100 971864019 /nfs/dbraw/zinc/86/40/19/971864019.db2.gz BUZVNJXYJBJQHK-VQIMIIECSA-N 1 0 405.539 3.759 20 5 HHBDRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000303706141 971971946 /nfs/dbraw/zinc/97/19/46/971971946.db2.gz YCVNBFMTCYFKFK-CQSZACIVSA-N 1 0 423.922 3.752 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303753038 972005465 /nfs/dbraw/zinc/00/54/65/972005465.db2.gz CHZJIRSJMIIAED-HKUYNNGSSA-N 1 0 417.531 3.577 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000303797636 972035113 /nfs/dbraw/zinc/03/51/13/972035113.db2.gz GFDOWDAHQXARLT-IBGZPJMESA-N 1 0 410.518 3.910 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000542210115 1013156434 /nfs/dbraw/zinc/15/64/34/1013156434.db2.gz NFIOSAZTJYGCBS-IRXDYDNUSA-N 1 0 421.291 3.934 20 5 HHBDRO CCOc1cc(C[NH+]2C[C@H](C)[C@@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000537623308 1013171501 /nfs/dbraw/zinc/17/15/01/1013171501.db2.gz CUPRNWXMYUGRJK-HOTGVXAUSA-N 1 0 402.495 3.665 20 5 HHBDRO CCOc1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000537623857 1013172947 /nfs/dbraw/zinc/17/29/47/1013172947.db2.gz QMMPFXJSUUSAOT-RTBURBONSA-N 1 0 414.506 3.809 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303827745 972363673 /nfs/dbraw/zinc/36/36/73/972363673.db2.gz QHFBLGPEPNPXFS-IEBWSBKVSA-N 1 0 417.531 3.577 20 5 HHBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)cc21 ZINC000303926726 972504149 /nfs/dbraw/zinc/50/41/49/972504149.db2.gz ZLQKRERABPWVFQ-UHFFFAOYSA-N 1 0 418.457 3.549 20 5 HHBDRO CCC[N@H+](C)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000553243018 1013208360 /nfs/dbraw/zinc/20/83/60/1013208360.db2.gz PPHIYEBLWMDYCA-GOSISDBHSA-N 1 0 415.881 4.392 20 5 HHBDRO CN(c1c2cc(Br)ccc2ncc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000553294261 1013251596 /nfs/dbraw/zinc/25/15/96/1013251596.db2.gz HXTNGBBFAAEOIQ-PBWFPOADSA-N 1 0 405.296 3.967 20 5 HHBDRO COc1ccc(-c2ccc(CN3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000537698778 1013264359 /nfs/dbraw/zinc/26/43/59/1013264359.db2.gz XTPFKLAMUKFXON-QOEFQVSFSA-N 1 0 415.490 3.547 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000016241331 962987563 /nfs/dbraw/zinc/98/75/63/962987563.db2.gz HDXICLXCLXHAQQ-GOSISDBHSA-N 1 0 400.504 3.727 20 5 HHBDRO COc1ccc([C@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000016315668 963010974 /nfs/dbraw/zinc/01/09/74/963010974.db2.gz LIQLFIHUONOWDY-IBGZPJMESA-N 1 0 400.504 3.727 20 5 HHBDRO Cc1cc(NCC2CCN(c3cc[nH+]cc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537838797 1013400113 /nfs/dbraw/zinc/40/01/13/1013400113.db2.gz WXVDQGYIEDYDLR-UHFFFAOYSA-N 1 0 404.474 3.506 20 5 HHBDRO COc1cccc([C@H]2[C@H](Nc3ncnc4sc([N+](=O)[O-])cc43)CC[N@@H+]2C2CC2)c1 ZINC000553518849 1013417629 /nfs/dbraw/zinc/41/76/29/1013417629.db2.gz NQFZBYRXWUWDME-AEFFLSMTSA-N 1 0 411.487 3.998 20 5 HHBDRO CCOc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000023740050 963883025 /nfs/dbraw/zinc/88/30/25/963883025.db2.gz CRCARHKRTIDSPH-LJQANCHMSA-N 1 0 413.474 3.569 20 5 HHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 ZINC000024140275 963947471 /nfs/dbraw/zinc/94/74/71/963947471.db2.gz CLHOPJNIRSIKGV-UHFFFAOYSA-N 1 0 400.435 3.583 20 5 HHBDRO COc1cc(C)c(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000024805184 964078081 /nfs/dbraw/zinc/07/80/81/964078081.db2.gz VZDOHFONDAMZAQ-UHFFFAOYSA-N 1 0 401.463 3.689 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050034204 964246020 /nfs/dbraw/zinc/24/60/20/964246020.db2.gz TXLLGTCGCCDILV-AWEZNQCLSA-N 1 0 404.492 3.699 20 5 HHBDRO CCOc1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000025379163 964258571 /nfs/dbraw/zinc/25/85/71/964258571.db2.gz LFHRTKKGZJRYNG-UHFFFAOYSA-N 1 0 413.474 3.528 20 5 HHBDRO CC[NH+](CC)CC1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000050628809 964367718 /nfs/dbraw/zinc/36/77/18/964367718.db2.gz WNBCCWCDDUPBMT-UHFFFAOYSA-N 1 0 402.520 3.912 20 5 HHBDRO COc1ccc(Br)cc1C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026225262 964492605 /nfs/dbraw/zinc/49/26/05/964492605.db2.gz WVNPNGJKXVGIQV-UHFFFAOYSA-N 1 0 422.279 3.827 20 5 HHBDRO COc1cc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000026225312 964492639 /nfs/dbraw/zinc/49/26/39/964492639.db2.gz NXDGYBWWLARJET-UHFFFAOYSA-N 1 0 409.389 3.665 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000026260513 964508403 /nfs/dbraw/zinc/50/84/03/964508403.db2.gz JDHQJIGHUSTUNE-INIZCTEOSA-N 1 0 419.503 3.675 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cccc1[N+](=O)[O-] ZINC000553659195 1013527279 /nfs/dbraw/zinc/52/72/79/1013527279.db2.gz KFFJRGHOISKWJV-JOCHJYFZSA-N 1 0 411.458 3.744 20 5 HHBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027343850 964858027 /nfs/dbraw/zinc/85/80/27/964858027.db2.gz RAAOTWYKDYRWHL-LJQANCHMSA-N 1 0 403.866 3.580 20 5 HHBDRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)oc21 ZINC000542587905 1013528517 /nfs/dbraw/zinc/52/85/17/1013528517.db2.gz ZCGIQLOOCXTZAS-WMLDXEAASA-N 1 0 400.431 3.830 20 5 HHBDRO COc1ccc(Cl)cc1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000027739564 964955371 /nfs/dbraw/zinc/95/53/71/964955371.db2.gz VZVZIQAVUSCQNW-UHFFFAOYSA-N 1 0 407.854 3.726 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)cc1[N+](=O)[O-] ZINC000537969463 1013546781 /nfs/dbraw/zinc/54/67/81/1013546781.db2.gz AFJRBCSSUFPZJW-SJORKVTESA-N 1 0 423.469 3.691 20 5 HHBDRO O=C(c1ccccc1Cl)N1CCC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000537975353 1013551799 /nfs/dbraw/zinc/55/17/99/1013551799.db2.gz MDPQARLBVKSKNH-UHFFFAOYSA-N 1 0 403.866 3.521 20 5 HHBDRO Cc1c([C@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000537978776 1013554890 /nfs/dbraw/zinc/55/48/90/1013554890.db2.gz GSEVDOYPZJEZHC-ZDUSSCGKSA-N 1 0 406.280 3.746 20 5 HHBDRO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000537979280 1013555620 /nfs/dbraw/zinc/55/56/20/1013555620.db2.gz ZQOZHENYXVQEMC-SJLPKXTDSA-N 1 0 423.469 3.561 20 5 HHBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000054032663 965360329 /nfs/dbraw/zinc/36/03/29/965360329.db2.gz FJMITJCWPGMSRC-UHFFFAOYSA-N 1 0 407.474 3.552 20 5 HHBDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000537991872 1013566980 /nfs/dbraw/zinc/56/69/80/1013566980.db2.gz TXXPSFREYPWHFG-AWEZNQCLSA-N 1 0 405.882 3.784 20 5 HHBDRO CN1CC[N@H+](CCCNc2ccc([N+](=O)[O-])c3cccnc23)[C@@H](c2ccccc2)C1 ZINC000029585703 965422380 /nfs/dbraw/zinc/42/23/80/965422380.db2.gz XULLZEPPRPEDIP-JOCHJYFZSA-N 1 0 405.502 3.934 20 5 HHBDRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542665034 1013590657 /nfs/dbraw/zinc/59/06/57/1013590657.db2.gz AHGRJHJDICVRPT-SFHVURJKSA-N 1 0 424.906 3.834 20 5 HHBDRO Cc1c(Cl)cc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000030498217 965709192 /nfs/dbraw/zinc/70/91/92/965709192.db2.gz GTLSMGHRIIPUPG-UHFFFAOYSA-N 1 0 423.922 3.631 20 5 HHBDRO COc1ccc(CSCC(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000058883881 965940211 /nfs/dbraw/zinc/94/02/11/965940211.db2.gz ZRLIVFJOKWFZDE-SOLBZPMBSA-N 1 0 421.563 3.700 20 5 HHBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000058935876 965962940 /nfs/dbraw/zinc/96/29/40/965962940.db2.gz HGZMURJRMLUJTP-UHFFFAOYSA-N 1 0 415.412 3.626 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000032217675 966202544 /nfs/dbraw/zinc/20/25/44/966202544.db2.gz KYUJRXHPIZVQJM-IBGZPJMESA-N 1 0 413.474 3.569 20 5 HHBDRO Cc1c(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000060682502 966255856 /nfs/dbraw/zinc/25/58/56/966255856.db2.gz JUEOXULPJCGUTQ-UHFFFAOYSA-N 1 0 424.501 3.534 20 5 HHBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000036332442 966430823 /nfs/dbraw/zinc/43/08/23/966430823.db2.gz IDTXTXHBHKDJTN-IBGZPJMESA-N 1 0 414.531 3.823 20 5 HHBDRO COc1cccc([C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000036701064 966442777 /nfs/dbraw/zinc/44/27/77/966442777.db2.gz RKQIVXYLSVIUHY-IBGZPJMESA-N 1 0 403.866 3.824 20 5 HHBDRO CC1CC[NH+](CCCNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000061553660 966499022 /nfs/dbraw/zinc/49/90/22/966499022.db2.gz DDGZRDQUQIXXOX-SFHVURJKSA-N 1 0 402.539 3.683 20 5 HHBDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)c4cc([N+](=O)[O-])c[nH]4)cc3)CC2)c1 ZINC000042076016 966707834 /nfs/dbraw/zinc/70/78/34/966707834.db2.gz OPBDDPABVZHXBV-UHFFFAOYSA-N 1 0 419.485 3.806 20 5 HHBDRO CC1(C)CC(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000042196625 966742237 /nfs/dbraw/zinc/74/22/37/966742237.db2.gz AFDHLRZHSKXTLY-UHFFFAOYSA-N 1 0 403.401 3.575 20 5 HHBDRO CC(C)[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@@H+]1CCc2ccccc2C1 ZINC000063760552 966949606 /nfs/dbraw/zinc/94/96/06/966949606.db2.gz HCZWUHKAJJYITB-QFIPXVFZSA-N 1 0 406.486 3.889 20 5 HHBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000064309919 967133171 /nfs/dbraw/zinc/13/31/71/967133171.db2.gz PVMIPKCRJIUOPI-UHFFFAOYSA-N 1 0 402.539 3.778 20 5 HHBDRO CCc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000064418890 967179094 /nfs/dbraw/zinc/17/90/94/967179094.db2.gz PQVKEFIIHURGIW-LIRRHRJNSA-N 1 0 419.909 3.997 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000064721581 967275735 /nfs/dbraw/zinc/27/57/35/967275735.db2.gz AWQZVOSSTBGPGW-DNVCBOLYSA-N 1 0 417.893 3.969 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(F)cc1 ZINC000065110892 967381944 /nfs/dbraw/zinc/38/19/44/967381944.db2.gz LYMXBKXFPXHCHR-SFHVURJKSA-N 1 0 414.462 3.890 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NCC[N@H+](C)Cc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000065418462 967459278 /nfs/dbraw/zinc/45/92/78/967459278.db2.gz WHBHSILTZGRMOH-UHFFFAOYSA-N 1 0 410.518 3.693 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)NCc1cccc(OCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000538175356 1013734068 /nfs/dbraw/zinc/73/40/68/1013734068.db2.gz BXLKWIWUFPAMQX-CYBMUJFWSA-N 1 0 411.380 3.503 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000047187623 968082025 /nfs/dbraw/zinc/08/20/25/968082025.db2.gz MKPQPSLWPPLDLB-GOSISDBHSA-N 1 0 402.539 3.582 20 5 HHBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-n2ccnn2)cc1 ZINC000538231713 1013780692 /nfs/dbraw/zinc/78/06/92/1013780692.db2.gz VCUUXWFKHUMIMW-OLZOCXBDSA-N 1 0 414.853 3.507 20 5 HHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000065747142 968622522 /nfs/dbraw/zinc/62/25/22/968622522.db2.gz KIDUAQKSTJFAAU-AWEZNQCLSA-N 1 0 416.503 3.604 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000065931809 968722906 /nfs/dbraw/zinc/72/29/06/968722906.db2.gz HGYKMAGXHOHOMY-UHFFFAOYSA-N 1 0 414.481 3.538 20 5 HHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000065940156 968731739 /nfs/dbraw/zinc/73/17/39/968731739.db2.gz WMSVSLKJRVRGEZ-HNNXBMFYSA-N 1 0 405.495 3.805 20 5 HHBDRO CC1CC[NH+]([C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c2ccccc2)CC1 ZINC000072006979 968929850 /nfs/dbraw/zinc/92/98/50/968929850.db2.gz DQFPSGQGIXZUSG-FQEVSTJZSA-N 1 0 407.474 3.674 20 5 HHBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000072010853 968931492 /nfs/dbraw/zinc/93/14/92/968931492.db2.gz HXZJSGOJCTVWIO-QGZVFWFLSA-N 1 0 424.501 3.584 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000538313939 1013844320 /nfs/dbraw/zinc/84/43/20/1013844320.db2.gz WHTJJKMETODPHO-SECOEOQKSA-N 1 0 417.531 3.989 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])cc1 ZINC000097476008 969142831 /nfs/dbraw/zinc/14/28/31/969142831.db2.gz WIYFRDTVONAVFS-OAHLLOKOSA-N 1 0 407.474 3.818 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000108708724 969413030 /nfs/dbraw/zinc/41/30/30/969413030.db2.gz IOHFFUPGCCZRBX-HKUYNNGSSA-N 1 0 417.531 3.749 20 5 HHBDRO C[C@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000109120382 969465003 /nfs/dbraw/zinc/46/50/03/969465003.db2.gz IMUKBBKGSCMIFQ-SJORKVTESA-N 1 0 411.506 3.625 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)[NH+](C)C)cc1 ZINC000109290318 969491694 /nfs/dbraw/zinc/49/16/94/969491694.db2.gz SLJRJEABJNOLOD-JOCHJYFZSA-N 1 0 410.518 3.926 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[NH+]2CCCC2)cc1 ZINC000109504098 969526259 /nfs/dbraw/zinc/52/62/59/969526259.db2.gz HCCSMPDPNWVGTI-JOCHJYFZSA-N 1 0 419.485 3.656 20 5 HHBDRO C[C@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000195650655 969933439 /nfs/dbraw/zinc/93/34/39/969933439.db2.gz RBYWUKLZGZDYSI-HNNXBMFYSA-N 1 0 417.893 3.913 20 5 HHBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000195684235 969954385 /nfs/dbraw/zinc/95/43/85/969954385.db2.gz QVZRQAKQXSXECC-OAQYLSRUSA-N 1 0 412.490 3.602 20 5 HHBDRO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000195692267 969961787 /nfs/dbraw/zinc/96/17/87/969961787.db2.gz XTWFKNJKMAIARQ-UHFFFAOYSA-N 1 0 422.407 3.926 20 5 HHBDRO CSc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000195724800 969983670 /nfs/dbraw/zinc/98/36/70/969983670.db2.gz VJXRLGQOYQJOKE-UHFFFAOYSA-N 1 0 409.458 3.799 20 5 HHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000141838195 970132774 /nfs/dbraw/zinc/13/27/74/970132774.db2.gz IYNOWLGZLZCOLA-UHFFFAOYSA-N 1 0 410.518 3.579 20 5 HHBDRO CN(C)C1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCOCC1 ZINC000237085673 970219615 /nfs/dbraw/zinc/21/96/15/970219615.db2.gz XSHHOEVIFULJMR-UHFFFAOYSA-N 1 0 403.454 3.727 20 5 HHBDRO COc1cc(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237248378 970248790 /nfs/dbraw/zinc/24/87/90/970248790.db2.gz KXBXDEUTHFKUKH-DOTOQJQBSA-N 1 0 406.401 3.838 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237376129 970273841 /nfs/dbraw/zinc/27/38/41/970273841.db2.gz SZKMBCAXTBMAHJ-GOSISDBHSA-N 1 0 408.458 3.553 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237425147 970283309 /nfs/dbraw/zinc/28/33/09/970283309.db2.gz GQMLTAMNTZQQQP-XUZZJYLKSA-N 1 0 420.465 3.930 20 5 HHBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000147379091 970326317 /nfs/dbraw/zinc/32/63/17/970326317.db2.gz KWWXMFGSIWWHMX-UHFFFAOYSA-N 1 0 411.487 3.581 20 5 HHBDRO Cc1ccc([C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000237649612 970329385 /nfs/dbraw/zinc/32/93/85/970329385.db2.gz GFFLKMGOXNDRLN-FQEVSTJZSA-N 1 0 409.490 3.823 20 5 HHBDRO Cn1cc(C[NH2+]CCCN2CCc3ccccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237757968 970356010 /nfs/dbraw/zinc/35/60/10/970356010.db2.gz AEPVRQDRORRBRM-UHFFFAOYSA-N 1 0 405.502 3.533 20 5 HHBDRO Cn1cc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237774341 970363757 /nfs/dbraw/zinc/36/37/57/970363757.db2.gz AATGLYQXAPPHBX-UHFFFAOYSA-N 1 0 414.849 3.710 20 5 HHBDRO Cn1cc(C[NH2+]Cc2cccc(Cn3cccn3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237780083 970365093 /nfs/dbraw/zinc/36/50/93/970365093.db2.gz RDOZRYCUHMNHHN-UHFFFAOYSA-N 1 0 402.458 3.530 20 5 HHBDRO O=C(CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC1CC1 ZINC000237996940 970414133 /nfs/dbraw/zinc/41/41/33/970414133.db2.gz BYBLIKBRCBQSOB-UHFFFAOYSA-N 1 0 419.485 3.596 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@]3(N4CCOCC4)CCSC3)s2)cc1 ZINC000238001339 970414813 /nfs/dbraw/zinc/41/48/13/970414813.db2.gz GLULFLVYBYQQKS-HXUWFJFHSA-N 1 0 419.572 3.621 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000238063501 970431875 /nfs/dbraw/zinc/43/18/75/970431875.db2.gz IKKBNBLDKNNWCC-KRWDZBQOSA-N 1 0 405.882 3.587 20 5 HHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c(Br)cncc2Br)cc1 ZINC000394613921 972867635 /nfs/dbraw/zinc/86/76/35/972867635.db2.gz IGBQUOVIOFKOSG-UHFFFAOYSA-N 1 0 415.085 3.847 20 5 HHBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426209670 974314188 /nfs/dbraw/zinc/31/41/88/974314188.db2.gz UPLYCYKLNXLKRD-CQSZACIVSA-N 1 0 424.423 3.933 20 5 HHBDRO O=C(NCCC[NH2+]C1CCCCC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426268600 974359161 /nfs/dbraw/zinc/35/91/61/974359161.db2.gz DGDKYCIOXRSTHT-UHFFFAOYSA-N 1 0 402.417 3.725 20 5 HHBDRO C[N@@H+]1CCCN(c2ccc(-c3noc(C(C)(C)c4ccccc4[N+](=O)[O-])n3)cn2)CC1 ZINC000426418400 974439602 /nfs/dbraw/zinc/43/96/02/974439602.db2.gz GSRDLCGETCMGMQ-UHFFFAOYSA-N 1 0 422.489 3.508 20 5 HHBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc2ccccc2c2cccnc12 ZINC000427100598 974904134 /nfs/dbraw/zinc/90/41/34/974904134.db2.gz LZGYKIQLQNPKIZ-XZOQPEGZSA-N 1 0 403.526 3.886 20 5 HHBDRO Cc1cc2c(cc1C)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCS2 ZINC000427877402 975330971 /nfs/dbraw/zinc/33/09/71/975330971.db2.gz OCTKDABXKJEKLK-GOSISDBHSA-N 1 0 406.529 3.812 20 5 HHBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000428047213 975403969 /nfs/dbraw/zinc/40/39/69/975403969.db2.gz IECRBDWAETZPMH-INIZCTEOSA-N 1 0 414.506 3.539 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H]2C(C)(C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000428071476 975418200 /nfs/dbraw/zinc/41/82/00/975418200.db2.gz QGKUAYLEPJURDQ-NRFANRHFSA-N 1 0 400.475 3.918 20 5 HHBDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000428475153 975773243 /nfs/dbraw/zinc/77/32/43/975773243.db2.gz BMFYASWTLJUVSO-XBMZPMPPSA-N 1 0 415.515 3.841 20 5 HHBDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000428483108 975782204 /nfs/dbraw/zinc/78/22/04/975782204.db2.gz NURUVCSENLHURZ-ZDUSSCGKSA-N 1 0 413.421 3.824 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000428536564 975834958 /nfs/dbraw/zinc/83/49/58/975834958.db2.gz JQQVQFZPUHUTHM-GOSISDBHSA-N 1 0 415.515 3.916 20 5 HHBDRO COc1cc(C[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000428568086 975879124 /nfs/dbraw/zinc/87/91/24/975879124.db2.gz CQJMXMRJFAELPD-FCHUYYIVSA-N 1 0 418.465 3.615 20 5 HHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000429038230 976323141 /nfs/dbraw/zinc/32/31/41/976323141.db2.gz WEWCTOOXMOHFSO-GMAHTHKFSA-N 1 0 408.502 3.611 20 5 HHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429332410 976597410 /nfs/dbraw/zinc/59/74/10/976597410.db2.gz MDGSZKNPEFHKAE-SFHVURJKSA-N 1 0 417.893 3.578 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000429458918 976733017 /nfs/dbraw/zinc/73/30/17/976733017.db2.gz XKTKADKYKAOKJN-PKTZIBPZSA-N 1 0 409.530 3.797 20 5 HHBDRO Cc1noc(C[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000429472501 976738321 /nfs/dbraw/zinc/73/83/21/976738321.db2.gz PMIYNMDVWWGPPT-AUUYWEPGSA-N 1 0 409.446 3.577 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429605979 976888553 /nfs/dbraw/zinc/88/85/53/976888553.db2.gz AHQRWIOKMGNBSZ-LJQANCHMSA-N 1 0 412.490 3.624 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000430210902 977394739 /nfs/dbraw/zinc/39/47/39/977394739.db2.gz WAZUONSDAJIZDJ-UHFFFAOYSA-N 1 0 415.465 3.579 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000430619308 977656957 /nfs/dbraw/zinc/65/69/57/977656957.db2.gz AYMVVOFEQKJIMW-XLIONFOSSA-N 1 0 419.485 3.563 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000430653214 977669437 /nfs/dbraw/zinc/66/94/37/977669437.db2.gz OWMLFLZSJGDYFO-IEBWSBKVSA-N 1 0 419.485 3.563 20 5 HHBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000430766170 977742576 /nfs/dbraw/zinc/74/25/76/977742576.db2.gz UIJOOZCLDCXRCU-FQEVSTJZSA-N 1 0 403.866 3.999 20 5 HHBDRO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000430924582 977890833 /nfs/dbraw/zinc/89/08/33/977890833.db2.gz JLEPYZPPUWPYLL-ZDUSSCGKSA-N 1 0 406.280 3.608 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000431029523 977964682 /nfs/dbraw/zinc/96/46/82/977964682.db2.gz DRFMZCDIUQUCTN-INIZCTEOSA-N 1 0 422.279 3.826 20 5 HHBDRO Cc1c(NC(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000431086439 978010421 /nfs/dbraw/zinc/01/04/21/978010421.db2.gz SWEJJNXZVCEOLG-UHFFFAOYSA-N 1 0 417.554 3.563 20 5 HHBDRO CC(C)CC[NH+]1CCC(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000431566787 978362102 /nfs/dbraw/zinc/36/21/02/978362102.db2.gz VYBDWAATROCDQP-HNNXBMFYSA-N 1 0 411.930 3.890 20 5 HHBDRO CCOc1cc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000432646842 978924352 /nfs/dbraw/zinc/92/43/52/978924352.db2.gz YWMHHBZIWJHPLV-HNNXBMFYSA-N 1 0 420.510 3.730 20 5 HHBDRO C[N@H+](CCSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000433019845 979043701 /nfs/dbraw/zinc/04/37/01/979043701.db2.gz AVRGYTNGOBTBSD-UHFFFAOYSA-N 1 0 401.488 3.758 20 5 HHBDRO Cn1cc(C[NH2+]CC2(CO)CC(c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000433171187 979115435 /nfs/dbraw/zinc/11/54/35/979115435.db2.gz AFOFGTKHJYTMDJ-UHFFFAOYSA-N 1 0 406.486 3.641 20 5 HHBDRO COc1ccc(CN2CC[C@H]([NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000433279284 979212709 /nfs/dbraw/zinc/21/27/09/979212709.db2.gz QDPAPSKGYRQYIN-SFTDATJTSA-N 1 0 409.486 3.717 20 5 HHBDRO O=C(C[NH2+][C@H](c1ccccc1)C1(CO)CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000433317417 979232024 /nfs/dbraw/zinc/23/20/24/979232024.db2.gz KYFVKPPWEVPWKN-LJQANCHMSA-N 1 0 403.866 3.680 20 5 HHBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000434033157 979772428 /nfs/dbraw/zinc/77/24/28/979772428.db2.gz VIKJPMUBYHILHZ-LFGUQSLTSA-N 1 0 414.550 3.776 20 5 HHBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434184407 979949744 /nfs/dbraw/zinc/94/97/44/979949744.db2.gz SQOBJLFUKSXXAQ-UHFFFAOYSA-N 1 0 403.508 3.551 20 5 HHBDRO CCCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000434190880 979956417 /nfs/dbraw/zinc/95/64/17/979956417.db2.gz KNFFUAZZHVYOLL-GOSISDBHSA-N 1 0 413.522 3.958 20 5 HHBDRO CCn1nccc1C1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000434741715 980373907 /nfs/dbraw/zinc/37/39/07/980373907.db2.gz IGLSPPAQCCWLPK-UHFFFAOYSA-N 1 0 424.448 3.843 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000434781381 980395537 /nfs/dbraw/zinc/39/55/37/980395537.db2.gz FMGZGCQBFXMYFV-PKOBYXMFSA-N 1 0 424.284 3.739 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(N3CCOCC3)CC2)ccc1Oc1ccccc1Cl ZINC000434789181 980399805 /nfs/dbraw/zinc/39/98/05/980399805.db2.gz WTYCTSJVBVWNHJ-UHFFFAOYSA-N 1 0 417.893 3.995 20 5 HHBDRO COc1cccc(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]2CCCO2)c1 ZINC000434832393 980430238 /nfs/dbraw/zinc/43/02/38/980430238.db2.gz DRGOSYJYPQKGIH-FQEVSTJZSA-N 1 0 413.474 3.532 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000434910262 980487059 /nfs/dbraw/zinc/48/70/59/980487059.db2.gz UNCGRGRVYAOUKK-UHFFFAOYSA-N 1 0 403.479 3.564 20 5 HHBDRO Cc1cc(NC(=O)c2csc([N+](=O)[O-])c2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435290835 980762312 /nfs/dbraw/zinc/76/23/12/980762312.db2.gz LUMCQZDUVDKVOQ-KRWDZBQOSA-N 1 0 411.487 3.861 20 5 HHBDRO Cc1cc(NC(=O)c2csc([N+](=O)[O-])c2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435290836 980762337 /nfs/dbraw/zinc/76/23/37/980762337.db2.gz LUMCQZDUVDKVOQ-QGZVFWFLSA-N 1 0 411.487 3.861 20 5 HHBDRO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000435370076 980819764 /nfs/dbraw/zinc/81/97/64/980819764.db2.gz HOQRWVHRAXAWLZ-GOSISDBHSA-N 1 0 409.421 3.630 20 5 HHBDRO Cc1nc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)ccc1[N+](=O)[O-] ZINC000435805573 981038329 /nfs/dbraw/zinc/03/83/29/981038329.db2.gz CMZDZDRDXGCWQW-UHFFFAOYSA-N 1 0 407.474 3.658 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000435838711 981054692 /nfs/dbraw/zinc/05/46/92/981054692.db2.gz ZDOCNNWGAPMURN-AWEZNQCLSA-N 1 0 413.468 3.954 20 5 HHBDRO COc1cccc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000435875520 981073026 /nfs/dbraw/zinc/07/30/26/981073026.db2.gz SFFNILVBUFRKOY-UHFFFAOYSA-N 1 0 417.893 3.995 20 5 HHBDRO C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[N@@H+]1CCC[C@@H](C)C1 ZINC000436103160 981201419 /nfs/dbraw/zinc/20/14/19/981201419.db2.gz UAVWWJZQHGLZNI-ZIAGYGMSSA-N 1 0 413.468 3.810 20 5 HHBDRO C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[NH+]1CCC(C)CC1 ZINC000436313199 981293039 /nfs/dbraw/zinc/29/30/39/981293039.db2.gz CAEYBQJIFYWXGP-CQSZACIVSA-N 1 0 413.468 3.810 20 5 HHBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448407097 981760096 /nfs/dbraw/zinc/76/00/96/981760096.db2.gz YKPGUKFKYGLLRQ-BLLLJJGKSA-N 1 0 410.421 3.677 20 5 HHBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448444716 981782745 /nfs/dbraw/zinc/78/27/45/981782745.db2.gz CGUGVDMRCPFFJQ-XMSQKQJNSA-N 1 0 415.537 3.630 20 5 HHBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448444713 981782980 /nfs/dbraw/zinc/78/29/80/981782980.db2.gz CGUGVDMRCPFFJQ-AVRDEDQJSA-N 1 0 415.537 3.630 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)[NH+]2CCCC2)cc1 ZINC000460152189 981924866 /nfs/dbraw/zinc/92/48/66/981924866.db2.gz SHTXNEWLKTVPBL-NRFANRHFSA-N 1 0 424.501 3.644 20 5 HHBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000460191092 981964963 /nfs/dbraw/zinc/96/49/63/981964963.db2.gz GGXBBJNHXNKWOD-QGZVFWFLSA-N 1 0 406.490 3.584 20 5 HHBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460284971 982061549 /nfs/dbraw/zinc/06/15/49/982061549.db2.gz SAGNOHRECGGIRS-UHFFFAOYSA-N 1 0 406.490 3.586 20 5 HHBDRO C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000437461466 982093625 /nfs/dbraw/zinc/09/36/25/982093625.db2.gz VAAMJLGNXGIINW-IBGZPJMESA-N 1 0 422.529 3.932 20 5 HHBDRO C[C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000437483131 982110524 /nfs/dbraw/zinc/11/05/24/982110524.db2.gz LDPCMXJHELLHMT-SFHVURJKSA-N 1 0 419.485 3.517 20 5 HHBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000437938936 982473669 /nfs/dbraw/zinc/47/36/69/982473669.db2.gz IFVCYPWWTNGEPL-UZKOGDIHSA-N 1 0 424.501 3.662 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000437976351 982501945 /nfs/dbraw/zinc/50/19/45/982501945.db2.gz HSPYVUJOUNFONS-YLJYHZDGSA-N 1 0 408.502 3.932 20 5 HHBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000438462264 982814633 /nfs/dbraw/zinc/81/46/33/982814633.db2.gz SOCLKRYOTOJJII-UHFFFAOYSA-N 1 0 416.528 3.984 20 5 HHBDRO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)Nc1cccc(Br)c1 ZINC000438524069 982862061 /nfs/dbraw/zinc/86/20/61/982862061.db2.gz PAKCVWJEYAYSRS-UHFFFAOYSA-N 1 0 404.264 3.744 20 5 HHBDRO CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000438657182 982975359 /nfs/dbraw/zinc/97/53/59/982975359.db2.gz UBDRPSAQHLGQQG-XLIONFOSSA-N 1 0 424.501 3.526 20 5 HHBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461438907 983102663 /nfs/dbraw/zinc/10/26/63/983102663.db2.gz NTBNXHZTKXKDSV-OAHLLOKOSA-N 1 0 400.504 3.666 20 5 HHBDRO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000438864890 983129655 /nfs/dbraw/zinc/12/96/55/983129655.db2.gz LEBKQQYYWGHZEF-DLBZAZTESA-N 1 0 411.506 3.884 20 5 HHBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000439012184 983209525 /nfs/dbraw/zinc/20/95/25/983209525.db2.gz SZQSVPSWDQYAQC-OAOYMFHYSA-N 1 0 400.479 3.796 20 5 HHBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000439014667 983210928 /nfs/dbraw/zinc/21/09/28/983210928.db2.gz ITNVLQZZHAQONU-OAOYMFHYSA-N 1 0 400.479 3.796 20 5 HHBDRO CC[C@](C)(O)C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000439277210 983342478 /nfs/dbraw/zinc/34/24/78/983342478.db2.gz ODVQIOJTZWATIU-QFIPXVFZSA-N 1 0 413.474 3.556 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439319245 983363015 /nfs/dbraw/zinc/36/30/15/983363015.db2.gz RWXSGFUYZCGGTF-QGZVFWFLSA-N 1 0 408.857 3.949 20 5 HHBDRO CC(C)c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000439735864 983519426 /nfs/dbraw/zinc/51/94/26/983519426.db2.gz UIUBLJZMPSBJTH-HXUWFJFHSA-N 1 0 411.502 3.605 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000439882825 983568342 /nfs/dbraw/zinc/56/83/42/983568342.db2.gz LHFDGRROTHRFLV-UHFFFAOYSA-N 1 0 412.490 3.822 20 5 HHBDRO COc1ccc(OCC[N@H+](C)CCc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000441311801 984174135 /nfs/dbraw/zinc/17/41/35/984174135.db2.gz XLSRZUQVJOZIFC-UHFFFAOYSA-N 1 0 409.280 3.919 20 5 HHBDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000441378730 984219318 /nfs/dbraw/zinc/21/93/18/984219318.db2.gz OINYGMZPOIAEMM-PXNSSMCTSA-N 1 0 407.474 3.766 20 5 HHBDRO C[S@@](=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000441385397 984223616 /nfs/dbraw/zinc/22/36/16/984223616.db2.gz VKWDIFGFDGWXDS-XMMPIXPASA-N 1 0 413.293 3.618 20 5 HHBDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461735042 984748806 /nfs/dbraw/zinc/74/88/06/984748806.db2.gz VGJWWQWJCXYDLM-UHFFFAOYSA-N 1 0 409.412 3.681 20 5 HHBDRO Cc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461935229 984940846 /nfs/dbraw/zinc/94/08/46/984940846.db2.gz JNPAPFHKRRIKST-XYPWUTKMSA-N 1 0 412.456 3.669 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462182234 985162082 /nfs/dbraw/zinc/16/20/82/985162082.db2.gz SWWMLNADFINOFC-CXAGYDPISA-N 1 0 418.291 3.608 20 5 HHBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000462311771 985298810 /nfs/dbraw/zinc/29/88/10/985298810.db2.gz GGJQWDUJLQOVGB-KXBFYZLASA-N 1 0 423.560 3.580 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000462425828 985396934 /nfs/dbraw/zinc/39/69/34/985396934.db2.gz CXXXAFNVIHUGHR-OAQYLSRUSA-N 1 0 409.530 3.987 20 5 HHBDRO C[C@@H](c1ccsc1)N1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000462474063 985431349 /nfs/dbraw/zinc/43/13/49/985431349.db2.gz QODUVJWRIFCKTF-ZDUSSCGKSA-N 1 0 408.911 3.627 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nccn1Cc1ccccc1 ZINC000462769193 985705985 /nfs/dbraw/zinc/70/59/85/985705985.db2.gz XQAHRTGORKCUJO-FQEVSTJZSA-N 1 0 406.486 3.767 20 5 HHBDRO C[N@H+](CCc1cccc(Br)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000462828912 985751152 /nfs/dbraw/zinc/75/11/52/985751152.db2.gz SPOLTOFWCXYKLQ-UHFFFAOYSA-N 1 0 407.264 3.898 20 5 HHBDRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000462860211 985785815 /nfs/dbraw/zinc/78/58/15/985785815.db2.gz FMRFPSIENCNSTP-OAHLLOKOSA-N 1 0 406.433 3.819 20 5 HHBDRO CCOc1ccc(NC(=O)CN2CCC(CCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000443609220 985787384 /nfs/dbraw/zinc/78/73/84/985787384.db2.gz VDRLECJOARROCO-UHFFFAOYSA-N 1 0 418.538 3.520 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1C ZINC000443720532 985931048 /nfs/dbraw/zinc/93/10/48/985931048.db2.gz FEOBKDWHIIFCMT-UHFFFAOYSA-N 1 0 409.552 3.533 20 5 HHBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443796368 985996807 /nfs/dbraw/zinc/99/68/07/985996807.db2.gz APZIRRVJFPDEGV-UHFFFAOYSA-N 1 0 422.407 3.926 20 5 HHBDRO CC(C)NC(=O)c1ccc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000463064066 986021057 /nfs/dbraw/zinc/02/10/57/986021057.db2.gz YNQNJWLKHVNWQM-LJQANCHMSA-N 1 0 410.518 3.691 20 5 HHBDRO C[NH+](C)CCOCCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000468327499 986023160 /nfs/dbraw/zinc/02/31/60/986023160.db2.gz RNFJZLRDKWVSKE-UHFFFAOYSA-N 1 0 423.922 3.707 20 5 HHBDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000468384069 986083959 /nfs/dbraw/zinc/08/39/59/986083959.db2.gz MOMUUSXXTUZZHZ-QGZVFWFLSA-N 1 0 419.547 3.735 20 5 HHBDRO CCOc1ccc(CN2CCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000443951382 986158767 /nfs/dbraw/zinc/15/87/67/986158767.db2.gz XMCLOTZUQPRJMA-UHFFFAOYSA-N 1 0 412.490 3.960 20 5 HHBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000468471931 986165562 /nfs/dbraw/zinc/16/55/62/986165562.db2.gz YUSWYIADRSXWOY-CTEOGUNLSA-N 1 0 404.264 3.529 20 5 HHBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000444032870 986228762 /nfs/dbraw/zinc/22/87/62/986228762.db2.gz LEVAJBYXDYVSOO-UHFFFAOYSA-N 1 0 403.504 3.565 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000463271677 986238522 /nfs/dbraw/zinc/23/85/22/986238522.db2.gz HIXKGIAEKKQCSE-JTSKRJEESA-N 1 0 408.502 3.789 20 5 HHBDRO C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(C)(C)C[NH+](C)C ZINC000444086710 986287075 /nfs/dbraw/zinc/28/70/75/986287075.db2.gz KEVCFBZSPVKGQY-GFCCVEGCSA-N 1 0 401.457 3.666 20 5 HHBDRO C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C(C)(C)C[NH+](C)C ZINC000444087782 986288279 /nfs/dbraw/zinc/28/82/79/986288279.db2.gz LOZPMYRPVCSOHY-GFCCVEGCSA-N 1 0 401.457 3.666 20 5 HHBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444096450 986295033 /nfs/dbraw/zinc/29/50/33/986295033.db2.gz PAIWACATZVYGAF-MRXNPFEDSA-N 1 0 413.468 3.906 20 5 HHBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)CC[C@@H]21 ZINC000444231514 986419034 /nfs/dbraw/zinc/41/90/34/986419034.db2.gz GBRRRFIFYHBHJJ-RBZFPXEDSA-N 1 0 411.452 3.516 20 5 HHBDRO COc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000444261974 986458951 /nfs/dbraw/zinc/45/89/51/986458951.db2.gz HWZDSUVWDGFJDB-OAHLLOKOSA-N 1 0 423.391 3.627 20 5 HHBDRO Cc1cccc2nc(C3CC[NH+](C[C@@H](O)COc4cccc([N+](=O)[O-])c4)CC3)oc21 ZINC000444767738 986928103 /nfs/dbraw/zinc/92/81/03/986928103.db2.gz UKCIRXVMCGBJCX-GOSISDBHSA-N 1 0 411.458 3.664 20 5 HHBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000444901999 987050648 /nfs/dbraw/zinc/05/06/48/987050648.db2.gz UUHQIZCXBCGXTH-SFHVURJKSA-N 1 0 412.490 3.979 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)cc2)C[C@@H](C)O1 ZINC000445476667 987540757 /nfs/dbraw/zinc/54/07/57/987540757.db2.gz GSJZKXFQLOGTDK-CHWSQXEVSA-N 1 0 400.460 3.983 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1ncc([N+](=O)[O-])cc1Br ZINC000470031053 987642921 /nfs/dbraw/zinc/64/29/21/987642921.db2.gz JKUCKZOTDJJKEH-UHFFFAOYSA-N 1 0 415.238 3.599 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463866892 987975653 /nfs/dbraw/zinc/97/56/53/987975653.db2.gz SKMXCYVNIWWZRM-MRXNPFEDSA-N 1 0 421.419 3.908 20 5 HHBDRO C[C@H](CO)[N@@H+]1CCCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000470142590 988049295 /nfs/dbraw/zinc/04/92/95/988049295.db2.gz SRUFLIUQPNKFQF-MRXNPFEDSA-N 1 0 419.909 3.929 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000470145527 988052644 /nfs/dbraw/zinc/05/26/44/988052644.db2.gz WBDPKQKOTHROME-HUUCEWRRSA-N 1 0 416.453 3.665 20 5 HHBDRO COC(=O)[C@](C)(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000470150819 988059517 /nfs/dbraw/zinc/05/95/17/988059517.db2.gz YHRPORUHHRWJEI-OAQYLSRUSA-N 1 0 411.483 3.939 20 5 HHBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)[C@H]1C ZINC000470153350 988063301 /nfs/dbraw/zinc/06/33/01/988063301.db2.gz SDLYARNDJKSPGT-HNAYVOBHSA-N 1 0 414.458 3.566 20 5 HHBDRO COc1cc(CNc2ccccc2C[NH+]2CCC(CO)CC2)c([N+](=O)[O-])cc1F ZINC000464072320 988193432 /nfs/dbraw/zinc/19/34/32/988193432.db2.gz FTSORTNXLMDTDP-UHFFFAOYSA-N 1 0 403.454 3.559 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000470273823 988226591 /nfs/dbraw/zinc/22/65/91/988226591.db2.gz HXIYKSZRLYZLRP-GOSISDBHSA-N 1 0 424.423 3.758 20 5 HHBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000464345233 988492965 /nfs/dbraw/zinc/49/29/65/988492965.db2.gz WWZVITFSXJBIEY-LJQANCHMSA-N 1 0 403.526 3.535 20 5 HHBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000464547873 988724724 /nfs/dbraw/zinc/72/47/24/988724724.db2.gz JTJZPHJRNNQBQX-QZTJIDSGSA-N 1 0 402.539 3.635 20 5 HHBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000464547585 988724757 /nfs/dbraw/zinc/72/47/57/988724757.db2.gz JTJZPHJRNNQBQX-MSOLQXFVSA-N 1 0 402.539 3.635 20 5 HHBDRO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000464587012 988766527 /nfs/dbraw/zinc/76/65/27/988766527.db2.gz LUSGWFMLKVPBHZ-INIZCTEOSA-N 1 0 401.463 3.846 20 5 HHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000464772277 988996065 /nfs/dbraw/zinc/99/60/65/988996065.db2.gz IVDGXWGBUXOMSH-DGCLKSJQSA-N 1 0 416.341 3.902 20 5 HHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000464776186 989002125 /nfs/dbraw/zinc/00/21/25/989002125.db2.gz KQXIPCYMJOJUGN-QGZVFWFLSA-N 1 0 406.866 3.531 20 5 HHBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464839818 989085459 /nfs/dbraw/zinc/08/54/59/989085459.db2.gz ZOKVVBXMYKLZPX-QGZVFWFLSA-N 1 0 416.909 3.641 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464840653 989085785 /nfs/dbraw/zinc/08/57/85/989085785.db2.gz UKOLMTVZFCERCH-LJQANCHMSA-N 1 0 410.518 3.828 20 5 HHBDRO O=C(COc1c(Cl)cccc1[N+](=O)[O-])Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000471296290 989456511 /nfs/dbraw/zinc/45/65/11/989456511.db2.gz OPDZLKZHBDXPDX-UHFFFAOYSA-N 1 0 421.906 3.815 20 5 HHBDRO CCOc1ccc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000465192987 989532090 /nfs/dbraw/zinc/53/20/90/989532090.db2.gz OUMHFJQMRQZMMW-INIZCTEOSA-N 1 0 413.474 3.966 20 5 HHBDRO C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000471528206 989728108 /nfs/dbraw/zinc/72/81/08/989728108.db2.gz LKONCYOPBGQQMU-VLIAUNLRSA-N 1 0 405.882 3.825 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000471607989 989812352 /nfs/dbraw/zinc/81/23/52/989812352.db2.gz ANELRDQYLSDWGR-QFBILLFUSA-N 1 0 407.474 3.793 20 5 HHBDRO COc1ccc(C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000471619816 989825095 /nfs/dbraw/zinc/82/50/95/989825095.db2.gz NZZOUIVVNDUFCA-HNNXBMFYSA-N 1 0 411.458 3.548 20 5 HHBDRO C[C@@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000471653122 989856563 /nfs/dbraw/zinc/85/65/63/989856563.db2.gz MPRJCRWCCPZXIG-OLJMKKDRSA-N 1 0 414.428 3.760 20 5 HHBDRO C[N@H+](CCCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000465532823 989893196 /nfs/dbraw/zinc/89/31/96/989893196.db2.gz HKDZOHXLOCXMLZ-UHFFFAOYSA-N 1 0 418.538 3.802 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465589181 989966468 /nfs/dbraw/zinc/96/64/68/989966468.db2.gz BYPFFEUHXSEJRB-SFHVURJKSA-N 1 0 418.538 3.802 20 5 HHBDRO CC1CC[NH+](CCCCNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000465607027 989990456 /nfs/dbraw/zinc/99/04/56/989990456.db2.gz STKDVYKOBPSRBT-UHFFFAOYSA-N 1 0 418.538 3.660 20 5 HHBDRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000471981052 990147869 /nfs/dbraw/zinc/14/78/69/990147869.db2.gz UVGMYUATLQIBQH-DZFGPLHGSA-N 1 0 408.502 3.738 20 5 HHBDRO C[NH+](C)CC[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C ZINC000466028412 991199143 /nfs/dbraw/zinc/19/91/43/991199143.db2.gz XIWPHPLWIKZMRY-IBGZPJMESA-N 1 0 406.527 3.514 20 5 HHBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1NC(=O)CC[NH+](C)C ZINC000466252118 991492123 /nfs/dbraw/zinc/49/21/23/991492123.db2.gz NPOFJOPETYZODV-UHFFFAOYSA-N 1 0 404.854 3.699 20 5 HHBDRO COc1cc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000466471388 991762559 /nfs/dbraw/zinc/76/25/59/991762559.db2.gz BRJZEBAXLJTAOB-ZWKOTPCHSA-N 1 0 418.412 3.839 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000466475751 991767812 /nfs/dbraw/zinc/76/78/12/991767812.db2.gz VNZIRJVDFRKOLR-UHFFFAOYSA-N 1 0 422.840 3.975 20 5 HHBDRO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)CC[C@@H]1CCCO1 ZINC000467150933 992467953 /nfs/dbraw/zinc/46/79/53/992467953.db2.gz XTDNHUIVQOSLBD-BBRMVZONSA-N 1 0 404.492 3.546 20 5 HHBDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467840949 993072698 /nfs/dbraw/zinc/07/26/98/993072698.db2.gz SSFOYALDHOSFAO-DLBZAZTESA-N 1 0 417.531 3.866 20 5 HHBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472446247 993449444 /nfs/dbraw/zinc/44/94/44/993449444.db2.gz JAXZTZKRZXGOHY-UHFFFAOYSA-N 1 0 414.428 3.542 20 5 HHBDRO Cc1ccc([C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)N2CCOCC2)cc1 ZINC000480907410 993763893 /nfs/dbraw/zinc/76/38/93/993763893.db2.gz DEVROURKUOLKES-ISKFKSNPSA-N 1 0 409.530 3.887 20 5 HHBDRO COc1ccc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc1Cl ZINC000481172515 994002893 /nfs/dbraw/zinc/00/28/93/994002893.db2.gz MMQFPLGCCKIHKS-UHFFFAOYSA-N 1 0 415.881 3.845 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000481185211 994016570 /nfs/dbraw/zinc/01/65/70/994016570.db2.gz WJBBUPMJBGZGTJ-OXJNMPFZSA-N 1 0 407.474 3.645 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000481190328 994022371 /nfs/dbraw/zinc/02/23/71/994022371.db2.gz LHXDKNNURVNBRS-JXFKEZNVSA-N 1 0 407.474 3.645 20 5 HHBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000481445136 994281905 /nfs/dbraw/zinc/28/19/05/994281905.db2.gz QJOUOFWPKQDKFA-RBZFPXEDSA-N 1 0 403.866 3.503 20 5 HHBDRO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000481516441 994346445 /nfs/dbraw/zinc/34/64/45/994346445.db2.gz NBVIVDNLHYWCKV-XUWXXGDYSA-N 1 0 418.519 3.528 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000473514833 994367857 /nfs/dbraw/zinc/36/78/57/994367857.db2.gz UGTFNCVYPKEGJN-UHFFFAOYSA-N 1 0 417.453 3.852 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000473694434 994585178 /nfs/dbraw/zinc/58/51/78/994585178.db2.gz XKESMDDRFPPTRK-JIPZTSHUSA-N 1 0 412.490 3.882 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)ccc1Oc1ccccc1Cl ZINC000481810952 994660280 /nfs/dbraw/zinc/66/02/80/994660280.db2.gz AZFKQJSCMOCACJ-CVEARBPZSA-N 1 0 406.866 3.775 20 5 HHBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000481866101 994726604 /nfs/dbraw/zinc/72/66/04/994726604.db2.gz MCZLBQCCQIUJFK-IEBWSBKVSA-N 1 0 415.515 3.517 20 5 HHBDRO COc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000481881706 994745646 /nfs/dbraw/zinc/74/56/46/994745646.db2.gz JVIYDKWSTHWWNE-UXHICEINSA-N 1 0 409.486 3.730 20 5 HHBDRO CC[NH+]1CCN(c2cccc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)c2)CC1 ZINC000473837614 994771566 /nfs/dbraw/zinc/77/15/66/994771566.db2.gz RHOOQZVJXXYJAT-UHFFFAOYSA-N 1 0 423.517 3.933 20 5 HHBDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC[N@@H+]2C2CC2)c1 ZINC000482077528 995013980 /nfs/dbraw/zinc/01/39/80/995013980.db2.gz FRNUHDCIYMGVKN-SIKLNZKXSA-N 1 0 420.469 3.793 20 5 HHBDRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000482087916 995028789 /nfs/dbraw/zinc/02/87/89/995028789.db2.gz HABQNIXZYFHBKZ-CYBMUJFWSA-N 1 0 406.280 3.828 20 5 HHBDRO CCOC(=O)c1ccnc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000474185576 995175826 /nfs/dbraw/zinc/17/58/26/995175826.db2.gz QOPADVOWYJBCBD-HSZRJFAPSA-N 1 0 424.501 3.659 20 5 HHBDRO COC(=O)COc1ccc(CNc2cccc(C[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000474347699 995327113 /nfs/dbraw/zinc/32/71/13/995327113.db2.gz DYTKIMSTFMIBHQ-UHFFFAOYSA-N 1 0 413.474 3.745 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCSc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000474348484 995328096 /nfs/dbraw/zinc/32/80/96/995328096.db2.gz MPCNGYNQNKECSW-HNNXBMFYSA-N 1 0 406.435 3.612 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc3cc(OC)ccc3c2)cc1[N+](=O)[O-] ZINC000474366471 995346527 /nfs/dbraw/zinc/34/65/27/995346527.db2.gz FHJMPXPKLWVIFD-UHFFFAOYSA-N 1 0 410.426 3.598 20 5 HHBDRO C[NH+](C)Cc1ccnc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000482369254 995351387 /nfs/dbraw/zinc/35/13/87/995351387.db2.gz QUJCHMPHZLKBMQ-UHFFFAOYSA-N 1 0 411.384 3.511 20 5 HHBDRO Cc1sc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000482441494 995436100 /nfs/dbraw/zinc/43/61/00/995436100.db2.gz VJKUBWCYZZTSSL-UHFFFAOYSA-N 1 0 417.531 3.766 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000474510561 995471766 /nfs/dbraw/zinc/47/17/66/995471766.db2.gz KBBLREBQBWEVPY-OEWRPIJISA-N 1 0 410.518 3.893 20 5 HHBDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482495123 995505507 /nfs/dbraw/zinc/50/55/07/995505507.db2.gz HRVJTABNKIOTNY-CABCVRRESA-N 1 0 404.488 3.866 20 5 HHBDRO COc1ccc(CSCC(=O)Nc2cc(C[NH+](C)C)ccc2C)cc1[N+](=O)[O-] ZINC000482585675 995588285 /nfs/dbraw/zinc/58/82/85/995588285.db2.gz KURITMVEUMUOSY-UHFFFAOYSA-N 1 0 403.504 3.845 20 5 HHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475112027 995929725 /nfs/dbraw/zinc/92/97/25/995929725.db2.gz RHJMRFBWAJSMJV-DEOSSOPVSA-N 1 0 422.529 3.835 20 5 HHBDRO CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475113553 995930621 /nfs/dbraw/zinc/93/06/21/995930621.db2.gz UXMOBXPHLUQBJX-JOCHJYFZSA-N 1 0 410.518 3.833 20 5 HHBDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000475233023 996013980 /nfs/dbraw/zinc/01/39/80/996013980.db2.gz KWDWUYUETBCIMG-UHFFFAOYSA-N 1 0 418.416 3.625 20 5 HHBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000483235105 996051961 /nfs/dbraw/zinc/05/19/61/996051961.db2.gz LEBHCDNZDAXNGC-MRXNPFEDSA-N 1 0 404.772 3.969 20 5 HHBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000483407222 996158265 /nfs/dbraw/zinc/15/82/65/996158265.db2.gz RQQZYPSYGWJAOC-WMZOPIPTSA-N 1 0 409.577 3.747 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CC=CCC3)o2)c(Br)c1 ZINC000475516489 996195345 /nfs/dbraw/zinc/19/53/45/996195345.db2.gz LJCXTHJJNOMRNR-UHFFFAOYSA-N 1 0 406.280 3.969 20 5 HHBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483591794 996272193 /nfs/dbraw/zinc/27/21/93/996272193.db2.gz KUCMUMHVCSLVHP-PZJWPPBQSA-N 1 0 408.502 3.520 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000484111524 996576593 /nfs/dbraw/zinc/57/65/93/996576593.db2.gz LRKXZYKTCFWVQO-UHFFFAOYSA-N 1 0 414.531 3.707 20 5 HHBDRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000476439825 996911584 /nfs/dbraw/zinc/91/15/84/996911584.db2.gz VILKSRMKXVZMRD-UHFFFAOYSA-N 1 0 409.895 3.538 20 5 HHBDRO C[NH+](C)CCCOC1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000484831949 997198171 /nfs/dbraw/zinc/19/81/71/997198171.db2.gz UXKLVGRJRLUEFO-UHFFFAOYSA-N 1 0 411.502 3.763 20 5 HHBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000484920378 997295715 /nfs/dbraw/zinc/29/57/15/997295715.db2.gz XHEYCBPTDUCPEH-KRWDZBQOSA-N 1 0 415.515 3.587 20 5 HHBDRO O=C(CSc1ccccc1[N+](=O)[O-])NCC1([NH+]2CCSCC2)CCCCC1 ZINC000484935757 997311423 /nfs/dbraw/zinc/31/14/23/997311423.db2.gz KZSHXQNFGMDHJU-UHFFFAOYSA-N 1 0 409.577 3.555 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1SC ZINC000484935806 997311901 /nfs/dbraw/zinc/31/19/01/997311901.db2.gz OZOUTSFIKBZIJQ-UHFFFAOYSA-N 1 0 415.515 3.673 20 5 HHBDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[C@H](C(F)(F)F)C1 ZINC000484959724 997336924 /nfs/dbraw/zinc/33/69/24/997336924.db2.gz ODVZIGLWYFASMN-HZPDHXFCSA-N 1 0 413.440 3.995 20 5 HHBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)c1 ZINC000485042319 997407028 /nfs/dbraw/zinc/40/70/28/997407028.db2.gz LJNGVCVQJPPLBJ-UHFFFAOYSA-N 1 0 414.506 3.676 20 5 HHBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485081175 997452163 /nfs/dbraw/zinc/45/21/63/997452163.db2.gz UYCUTKGRAQKCHH-AWEZNQCLSA-N 1 0 411.430 3.825 20 5 HHBDRO O=[N+]([O-])c1cnc(NCc2ccc(OCC[NH+]3CCCC3)cc2)c(Br)c1 ZINC000485182409 997562336 /nfs/dbraw/zinc/56/23/36/997562336.db2.gz YZFVDFFQECIOPL-UHFFFAOYSA-N 1 0 421.295 3.839 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000477043923 997679143 /nfs/dbraw/zinc/67/91/43/997679143.db2.gz OBIDUZJQBHVPHL-HBIPHATFSA-N 1 0 403.504 3.662 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000477061168 997705993 /nfs/dbraw/zinc/70/59/93/997705993.db2.gz GAECUBUTCYLRPY-XMMPIXPASA-N 1 0 422.529 3.830 20 5 HHBDRO O=C(CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000485333653 997749600 /nfs/dbraw/zinc/74/96/00/997749600.db2.gz APTDFXGTURMWFB-CTNGQTDRSA-N 1 0 408.502 3.520 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000477097930 997751676 /nfs/dbraw/zinc/75/16/76/997751676.db2.gz GPUNHFQMDHPNSE-QGZVFWFLSA-N 1 0 409.552 3.568 20 5 HHBDRO C[NH+]1CCN(c2ncccc2CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485394156 997822671 /nfs/dbraw/zinc/82/26/71/997822671.db2.gz UDBNNERNPUXNIZ-UHFFFAOYSA-N 1 0 422.464 3.555 20 5 HHBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000485398869 997828989 /nfs/dbraw/zinc/82/89/89/997828989.db2.gz DKGUXWBKUKRGRA-UHFFFAOYSA-N 1 0 416.909 3.538 20 5 HHBDRO CCOC(=O)c1ccnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000477167270 997832796 /nfs/dbraw/zinc/83/27/96/997832796.db2.gz OBTYXAVJNCDJSR-MRXNPFEDSA-N 1 0 404.511 3.647 20 5 HHBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000485460318 997904978 /nfs/dbraw/zinc/90/49/78/997904978.db2.gz CJSSCKCWPOLFHE-UHFFFAOYSA-N 1 0 403.429 3.718 20 5 HHBDRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000477463680 998176698 /nfs/dbraw/zinc/17/66/98/998176698.db2.gz JUQYGOMZLGQULZ-UHFFFAOYSA-N 1 0 416.275 3.525 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000485815558 998283399 /nfs/dbraw/zinc/28/33/99/998283399.db2.gz CQWBBFCDFHMDPG-NEPJUHHUSA-N 1 0 400.460 3.891 20 5 HHBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccccc2N2CCCC2)c([N+](=O)[O-])c1 ZINC000485891980 998346181 /nfs/dbraw/zinc/34/61/81/998346181.db2.gz MAPCPEQFYQYRNJ-UHFFFAOYSA-N 1 0 412.490 3.664 20 5 HHBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000477633121 998349846 /nfs/dbraw/zinc/34/98/46/998349846.db2.gz PQEMYMUBYFQKHP-UHFFFAOYSA-N 1 0 422.485 3.703 20 5 HHBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000485913274 998364189 /nfs/dbraw/zinc/36/41/89/998364189.db2.gz JGUBMXFWAWMHQE-UTKZUKDTSA-N 1 0 411.502 3.976 20 5 HHBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000485942618 998386601 /nfs/dbraw/zinc/38/66/01/998386601.db2.gz GCCWZGOXPJLBPY-HNNXBMFYSA-N 1 0 414.893 3.827 20 5 HHBDRO COc1cc(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000477682518 998395569 /nfs/dbraw/zinc/39/55/69/998395569.db2.gz ZWLHMCBYWXIDDM-BRLLKYFNSA-N 1 0 411.502 3.798 20 5 HHBDRO Cc1cc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000486003612 998447863 /nfs/dbraw/zinc/44/78/63/998447863.db2.gz KFMYYRLBUWTZRV-UGKGYDQZSA-N 1 0 418.501 3.884 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1SC ZINC000486048429 998499224 /nfs/dbraw/zinc/49/92/24/998499224.db2.gz XYAAQESEKWMTRB-MRXNPFEDSA-N 1 0 421.563 3.909 20 5 HHBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000486074816 998522309 /nfs/dbraw/zinc/52/23/09/998522309.db2.gz IDAQTDFPEOYHDL-UHFFFAOYSA-N 1 0 404.417 3.560 20 5 HHBDRO O=C1[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCN1Cc1ccc(F)cc1 ZINC000477924173 998660438 /nfs/dbraw/zinc/66/04/38/998660438.db2.gz DQAQLCAEASRITP-DZFGPLHGSA-N 1 0 411.477 3.836 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC000478272857 998856926 /nfs/dbraw/zinc/85/69/26/998856926.db2.gz LREWDOOWWSWXRF-CYBMUJFWSA-N 1 0 402.344 3.573 20 5 HHBDRO COc1cc(C[NH2+]Cc2ccnc3ccnn32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000478353591 998911014 /nfs/dbraw/zinc/91/10/14/998911014.db2.gz OJKSFRBLHDVHNS-UHFFFAOYSA-N 1 0 419.441 3.515 20 5 HHBDRO COc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c([N+](=O)[O-])cc1F ZINC000486850662 998972915 /nfs/dbraw/zinc/97/29/15/998972915.db2.gz PSURAVKYUAFHBU-QVKFZJNVSA-N 1 0 416.453 3.632 20 5 HHBDRO Cc1c(C[NH2+][C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cccc1[N+](=O)[O-] ZINC000478501260 998996744 /nfs/dbraw/zinc/99/67/44/998996744.db2.gz QAYUAKUECSOPJQ-CQSZACIVSA-N 1 0 410.474 3.759 20 5 HHBDRO Cc1c(C[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)cccc1[N+](=O)[O-] ZINC000478504748 998998925 /nfs/dbraw/zinc/99/89/25/998998925.db2.gz CXDXRMDGFHTFNN-MSOLQXFVSA-N 1 0 407.470 3.990 20 5 HHBDRO Cc1c(C[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)cccc1[N+](=O)[O-] ZINC000478504758 998999015 /nfs/dbraw/zinc/99/90/15/998999015.db2.gz CXDXRMDGFHTFNN-ZWKOTPCHSA-N 1 0 407.470 3.990 20 5 HHBDRO COc1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1C ZINC000478739794 999116667 /nfs/dbraw/zinc/11/66/67/999116667.db2.gz QKUVOYDYYBOKMS-UHFFFAOYSA-N 1 0 417.893 3.960 20 5 HHBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487297892 999127524 /nfs/dbraw/zinc/12/75/24/999127524.db2.gz MEWMTKWIOALUOP-AEFFLSMTSA-N 1 0 404.470 3.783 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000487450358 999181177 /nfs/dbraw/zinc/18/11/77/999181177.db2.gz OPUHFUCZDSGNSF-UHFFFAOYSA-N 1 0 421.563 3.860 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000487713654 999262093 /nfs/dbraw/zinc/26/20/93/999262093.db2.gz CNPJEBGWWBGTMU-HIFRSBDPSA-N 1 0 405.401 3.762 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000487729999 999268697 /nfs/dbraw/zinc/26/86/97/999268697.db2.gz NFBNYHYYKLZBFR-KRWDZBQOSA-N 1 0 411.506 3.928 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000488110125 999379111 /nfs/dbraw/zinc/37/91/11/999379111.db2.gz POVJYZAHCTUSOJ-IBGZPJMESA-N 1 0 410.518 3.601 20 5 HHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000479340229 999393467 /nfs/dbraw/zinc/39/34/67/999393467.db2.gz FJMIZZIWFSMSBA-UHFFFAOYSA-N 1 0 407.474 3.552 20 5 HHBDRO CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000479370072 999407621 /nfs/dbraw/zinc/40/76/21/999407621.db2.gz GDKANLQDHRJLFU-UHFFFAOYSA-N 1 0 421.505 3.580 20 5 HHBDRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000479605625 999497511 /nfs/dbraw/zinc/49/75/11/999497511.db2.gz IQSCOTYJPUJCMK-UHFFFAOYSA-N 1 0 423.498 3.508 20 5 HHBDRO Cc1ccc([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[NH+]2CCCC2)cc1 ZINC000488731730 999591807 /nfs/dbraw/zinc/59/18/07/999591807.db2.gz VINJRYYLHCDKOB-SFHVURJKSA-N 1 0 423.922 3.672 20 5 HHBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000479888940 999637395 /nfs/dbraw/zinc/63/73/95/999637395.db2.gz UPISKPYJPTVYRU-LJQANCHMSA-N 1 0 411.502 3.896 20 5 HHBDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000489140520 999710362 /nfs/dbraw/zinc/71/03/62/999710362.db2.gz PXJWJZZTIYABAQ-AZUAARDMSA-N 1 0 415.465 3.923 20 5 HHBDRO Cc1cc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489183121 999717781 /nfs/dbraw/zinc/71/77/81/999717781.db2.gz GQGOUXGANPTXNM-HNNXBMFYSA-N 1 0 409.515 3.702 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000489206736 999722468 /nfs/dbraw/zinc/72/24/68/999722468.db2.gz PMZDUJGOXBRMJH-JOCHJYFZSA-N 1 0 410.518 3.924 20 5 HHBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000480399199 999789722 /nfs/dbraw/zinc/78/97/22/999789722.db2.gz VZLDSUXYDIDQPG-CQSZACIVSA-N 1 0 405.296 3.970 20 5 HHBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000489605882 999801423 /nfs/dbraw/zinc/80/14/23/999801423.db2.gz CKOWCIJOJVRVRI-UHFFFAOYSA-N 1 0 408.502 3.933 20 5 HHBDRO O=C1CCc2cc([N+](=O)[O-])c(NC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)cc2N1 ZINC000480557058 999826090 /nfs/dbraw/zinc/82/60/90/999826090.db2.gz SCKAOVQOGBVFIG-UHFFFAOYSA-N 1 0 412.412 3.697 20 5 HHBDRO O=C(c1ccccc1F)N1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000480620037 999842868 /nfs/dbraw/zinc/84/28/68/999842868.db2.gz YDNWBUYFJJBUQB-OAQYLSRUSA-N 1 0 411.477 3.949 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[NH+](C)C)c1 ZINC000489870847 999852108 /nfs/dbraw/zinc/85/21/08/999852108.db2.gz IIFLWOKHOMGODM-OAQYLSRUSA-N 1 0 412.490 3.580 20 5 HHBDRO CCOC(=O)c1ccc(N2CCC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nc1 ZINC000489977072 999872028 /nfs/dbraw/zinc/87/20/28/999872028.db2.gz JDIRWAVXJKAGEV-KRWDZBQOSA-N 1 0 412.490 3.748 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC)[C@H](C)C1 ZINC000489980905 999872710 /nfs/dbraw/zinc/87/27/10/999872710.db2.gz KROYARBRYREZFE-CRAIPNDOSA-N 1 0 409.552 3.574 20 5 HHBDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(C(F)(F)F)cs1 ZINC000490090916 999891880 /nfs/dbraw/zinc/89/18/80/999891880.db2.gz HQFZBFOVYWVQND-SECBINFHSA-N 1 0 416.381 3.719 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490370683 999946396 /nfs/dbraw/zinc/94/63/96/999946396.db2.gz OLMJABUFVIAUBO-LJQANCHMSA-N 1 0 400.422 3.640 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000490405105 999952457 /nfs/dbraw/zinc/95/24/57/999952457.db2.gz VPAGBSGLVHUUDE-YOEHRIQHSA-N 1 0 407.312 3.945 20 5 HHBDRO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCC[N@@H+]1Cc1ccccc1 ZINC000490523671 999971998 /nfs/dbraw/zinc/97/19/98/999971998.db2.gz HQXKNOYKHOEQBM-QHCPKHFHSA-N 1 0 404.470 3.928 20 5 HHBDRO C[NH+](C)C1(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCCC1 ZINC000491762527 1000094502 /nfs/dbraw/zinc/09/45/02/1000094502.db2.gz MIGAPRSMAAUXNA-UHFFFAOYSA-N 1 0 402.417 3.677 20 5 HHBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000491893380 1000099598 /nfs/dbraw/zinc/09/95/98/1000099598.db2.gz UXOCJQXZCAUGIS-UHFFFAOYSA-N 1 0 411.487 3.581 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000492078477 1000108550 /nfs/dbraw/zinc/10/85/50/1000108550.db2.gz GGKKVWNRAOWTSS-QGZVFWFLSA-N 1 0 410.396 3.716 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCC3(CC2)OCCc2ccsc23)cccc1[N+](=O)[O-] ZINC000492535324 1000131227 /nfs/dbraw/zinc/13/12/27/1000131227.db2.gz FKOXPYMXUSMFDQ-UHFFFAOYSA-N 1 0 415.515 3.857 20 5 HHBDRO CCOc1cc(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000492694876 1000139230 /nfs/dbraw/zinc/13/92/30/1000139230.db2.gz GMXFAAYCVUTZLI-UHFFFAOYSA-N 1 0 401.438 3.983 20 5 HHBDRO O=[N+]([O-])c1cccc([C@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc2)c1 ZINC000493245500 1000164881 /nfs/dbraw/zinc/16/48/81/1000164881.db2.gz CKMLBBNTZFLTIV-JWQCQUIFSA-N 1 0 417.509 3.911 20 5 HHBDRO COc1cc(C[NH2+]CCc2nc(C)c(C)s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493695281 1000185800 /nfs/dbraw/zinc/18/58/00/1000185800.db2.gz ZODSPIBGEOLNMQ-UHFFFAOYSA-N 1 0 401.435 3.653 20 5 HHBDRO O=C(NCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000494058600 1000287842 /nfs/dbraw/zinc/28/78/42/1000287842.db2.gz YZDMMXMAXKIGBX-OAQYLSRUSA-N 1 0 411.408 3.982 20 5 HHBDRO CC(C)C[NH+]1CCC(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000494238594 1000380431 /nfs/dbraw/zinc/38/04/31/1000380431.db2.gz RUXSZYOHGSHLOF-UHFFFAOYSA-N 1 0 402.417 3.533 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000504896520 1000434623 /nfs/dbraw/zinc/43/46/23/1000434623.db2.gz YJNNKBVWJHHDLV-RXVVDRJESA-N 1 0 413.518 3.588 20 5 HHBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494415435 1000481145 /nfs/dbraw/zinc/48/11/45/1000481145.db2.gz YNBQSRMNMFMSPH-STQMWFEESA-N 1 0 402.417 3.533 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494445678 1000495976 /nfs/dbraw/zinc/49/59/76/1000495976.db2.gz KCRZSVYNZIUHCM-UVIMBBFXSA-N 1 0 419.865 3.704 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000494455846 1000501640 /nfs/dbraw/zinc/50/16/40/1000501640.db2.gz VROZWJPYUYMTRS-PXNSSMCTSA-N 1 0 419.865 3.705 20 5 HHBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000494477917 1000513699 /nfs/dbraw/zinc/51/36/99/1000513699.db2.gz YIGVQWSHVONUFV-NSHDSACASA-N 1 0 417.409 3.836 20 5 HHBDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494479778 1000514844 /nfs/dbraw/zinc/51/48/44/1000514844.db2.gz YYGHQTOTRHAOSK-PBQZTSCYSA-N 1 0 407.829 3.834 20 5 HHBDRO O=C(C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494498485 1000525423 /nfs/dbraw/zinc/52/54/23/1000525423.db2.gz WIJWJYKEZLACLG-MAUKXSAKSA-N 1 0 410.257 3.960 20 5 HHBDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494500536 1000526435 /nfs/dbraw/zinc/52/64/35/1000526435.db2.gz AIHQKRFMMZSKLL-NBHSMZAVSA-N 1 0 407.829 3.834 20 5 HHBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)cc2[N+](=O)[O-])C1 ZINC000505117202 1000558957 /nfs/dbraw/zinc/55/89/57/1000558957.db2.gz AJEZNFSOADAUPC-HOTGVXAUSA-N 1 0 420.473 3.910 20 5 HHBDRO COc1cc(CNCC[NH+]2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000494647874 1000587158 /nfs/dbraw/zinc/58/71/58/1000587158.db2.gz LNCALUFBLIGQFH-KBPBESRZSA-N 1 0 401.454 3.600 20 5 HHBDRO COc1ccc(C[N@H+](CCO)C2CCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000505284076 1000669735 /nfs/dbraw/zinc/66/97/35/1000669735.db2.gz UDBAHBCEYZHUBW-UHFFFAOYSA-N 1 0 400.475 3.919 20 5 HHBDRO COc1cc(C[N@H+](CCO)C2CCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000505290806 1000676202 /nfs/dbraw/zinc/67/62/02/1000676202.db2.gz RZRGQEOGWRWKNI-UHFFFAOYSA-N 1 0 400.475 3.919 20 5 HHBDRO CCCC[NH+]1CCC(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000494867051 1000703791 /nfs/dbraw/zinc/70/37/91/1000703791.db2.gz YAVPBHWSWBIEFG-UHFFFAOYSA-N 1 0 402.417 3.677 20 5 HHBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000495107640 1000844488 /nfs/dbraw/zinc/84/44/88/1000844488.db2.gz JQKQQKNLSHXSAK-JPYJTQIMSA-N 1 0 417.513 3.974 20 5 HHBDRO COCC[N@H+](C)CC[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccccc1 ZINC000505515508 1000855704 /nfs/dbraw/zinc/85/57/04/1000855704.db2.gz VSBWEFZDXNBDHJ-FQEVSTJZSA-N 1 0 410.474 3.516 20 5 HHBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)C2)C1 ZINC000505602746 1000928960 /nfs/dbraw/zinc/92/89/60/1000928960.db2.gz BTYUERRCDWGDDV-HSZRJFAPSA-N 1 0 408.502 3.765 20 5 HHBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)C2)C1 ZINC000505602747 1000929148 /nfs/dbraw/zinc/92/91/48/1000929148.db2.gz BTYUERRCDWGDDV-QHCPKHFHSA-N 1 0 408.502 3.765 20 5 HHBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCCS2(=O)=O)c1 ZINC000495433140 1001011332 /nfs/dbraw/zinc/01/13/32/1001011332.db2.gz NGUWMQLVIJGDRG-AWEZNQCLSA-N 1 0 423.922 3.681 20 5 HHBDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000505862918 1001067476 /nfs/dbraw/zinc/06/74/76/1001067476.db2.gz QCEQQNAWXJQUGV-UHFFFAOYSA-N 1 0 424.339 3.694 20 5 HHBDRO CCOc1cc(C[N@H+](C)[C@H]2CCSC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000506230924 1001294628 /nfs/dbraw/zinc/29/46/28/1001294628.db2.gz DXQRLIPUMVTEGM-KRWDZBQOSA-N 1 0 420.535 3.515 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000497404407 1001341633 /nfs/dbraw/zinc/34/16/33/1001341633.db2.gz WFVYIBIGBRAOLX-JRGCBEDISA-N 1 0 422.529 3.659 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3C[N@H+](C)C[C@H]3c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000497404408 1001342018 /nfs/dbraw/zinc/34/20/18/1001342018.db2.gz WFVYIBIGBRAOLX-QMMLZNLJSA-N 1 0 422.529 3.659 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000506376539 1001386273 /nfs/dbraw/zinc/38/62/73/1001386273.db2.gz FJNVVVUBYWGNAR-CVEARBPZSA-N 1 0 412.490 3.575 20 5 HHBDRO Cn1cc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506450770 1001418614 /nfs/dbraw/zinc/41/86/14/1001418614.db2.gz HUOHFACVAXWPNJ-UHFFFAOYSA-N 1 0 411.893 3.971 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506475685 1001429773 /nfs/dbraw/zinc/42/97/73/1001429773.db2.gz YIGJASHWVZFMMQ-MSOLQXFVSA-N 1 0 418.538 3.518 20 5 HHBDRO CS(=O)(=O)c1cccc(Nc2ccc(CC[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000497557641 1001434602 /nfs/dbraw/zinc/43/46/02/1001434602.db2.gz CKGPOSQUZFONCD-UHFFFAOYSA-N 1 0 403.504 3.770 20 5 HHBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000497593480 1001450680 /nfs/dbraw/zinc/45/06/80/1001450680.db2.gz CSAPWZJJUGSQGZ-UHFFFAOYSA-N 1 0 408.380 3.655 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000497734225 1001499095 /nfs/dbraw/zinc/49/90/95/1001499095.db2.gz NPCTZDUOVPYWOC-INIZCTEOSA-N 1 0 414.481 3.675 20 5 HHBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[NH+]2CCCC2)c1 ZINC000497765191 1001508365 /nfs/dbraw/zinc/50/83/65/1001508365.db2.gz ZWKILRTVZRBHII-NRFANRHFSA-N 1 0 420.469 3.719 20 5 HHBDRO CCc1ccccc1NC(=O)CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506772981 1001522561 /nfs/dbraw/zinc/52/25/61/1001522561.db2.gz CIJPNZOFRPUGDS-UHFFFAOYSA-N 1 0 407.474 3.628 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1SC ZINC000497879147 1001547512 /nfs/dbraw/zinc/54/75/12/1001547512.db2.gz AJKRELMOXDKGGO-UHFFFAOYSA-N 1 0 421.494 3.668 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000497983592 1001590410 /nfs/dbraw/zinc/59/04/10/1001590410.db2.gz NZCRITFBQJAOEL-IEBWSBKVSA-N 1 0 417.531 3.749 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498183732 1001678122 /nfs/dbraw/zinc/67/81/22/1001678122.db2.gz UGDNOCOOPJLTCH-HNNXBMFYSA-N 1 0 419.428 3.933 20 5 HHBDRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498187762 1001679787 /nfs/dbraw/zinc/67/97/87/1001679787.db2.gz LHKIDJOEYDJXSF-UHFFFAOYSA-N 1 0 422.510 3.987 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](C(=O)NCC4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000507104435 1001811566 /nfs/dbraw/zinc/81/15/66/1001811566.db2.gz QWRVJIMGNIDGEZ-INIZCTEOSA-N 1 0 413.474 3.602 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000498411974 1001840950 /nfs/dbraw/zinc/84/09/50/1001840950.db2.gz ULKWOGIINMZYMG-HUUCEWRRSA-N 1 0 402.520 3.816 20 5 HHBDRO COc1ccc(-c2ccc(C[NH+]3CCC(NC(=O)C(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000507168464 1001855914 /nfs/dbraw/zinc/85/59/14/1001855914.db2.gz QMOVMVGBNOOBMC-UHFFFAOYSA-N 1 0 401.463 3.600 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCCc1cc(-c2ccccc2)no1 ZINC000507198532 1001886182 /nfs/dbraw/zinc/88/61/82/1001886182.db2.gz XMGFJNISQDRJLA-UHFFFAOYSA-N 1 0 424.457 3.762 20 5 HHBDRO CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498466999 1001895424 /nfs/dbraw/zinc/89/54/24/1001895424.db2.gz QETHPUZEBBMBOJ-LJQANCHMSA-N 1 0 416.909 3.707 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000508337283 1002840812 /nfs/dbraw/zinc/84/08/12/1002840812.db2.gz DUGHMDMBGKNBRT-CYBMUJFWSA-N 1 0 419.865 3.916 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000499530294 1002917970 /nfs/dbraw/zinc/91/79/70/1002917970.db2.gz SHNIWZLTHXTCMV-OXQOHEQNSA-N 1 0 404.470 3.783 20 5 HHBDRO COc1cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000508554634 1003026879 /nfs/dbraw/zinc/02/68/79/1003026879.db2.gz VFXMDTFWNUZKLJ-LJQANCHMSA-N 1 0 413.518 3.956 20 5 HHBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000508603595 1003058841 /nfs/dbraw/zinc/05/88/41/1003058841.db2.gz JOZLGQNANQAVET-SJLPKXTDSA-N 1 0 419.485 3.533 20 5 HHBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(F)(c3ccccc3OC(F)(F)F)CC2)n1 ZINC000500135825 1003495545 /nfs/dbraw/zinc/49/55/45/1003495545.db2.gz VDEDFSHCJHVPTL-UHFFFAOYSA-N 1 0 402.348 3.651 20 5 HHBDRO COc1c(C)cnc(C[NH+]2CCC(N(C)Cc3csc([N+](=O)[O-])c3)CC2)c1C ZINC000509037598 1003507476 /nfs/dbraw/zinc/50/74/76/1003507476.db2.gz JMRMJGHFRORNHF-UHFFFAOYSA-N 1 0 404.536 3.773 20 5 HHBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000500398619 1003692773 /nfs/dbraw/zinc/69/27/73/1003692773.db2.gz ZSJMCZXXEFNQLH-IBGZPJMESA-N 1 0 409.442 3.917 20 5 HHBDRO C[C@H]([NH2+]C1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCOCC1)c1ccccc1 ZINC000500441864 1003720493 /nfs/dbraw/zinc/72/04/93/1003720493.db2.gz MSLLEHIVXYPHOO-INIZCTEOSA-N 1 0 422.485 3.706 20 5 HHBDRO C[C@@H]([NH2+]C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCOCC1)c1ccccc1 ZINC000500497083 1003747855 /nfs/dbraw/zinc/74/78/55/1003747855.db2.gz XFJQFFDCASIIOG-MRXNPFEDSA-N 1 0 423.469 3.971 20 5 HHBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1[N+](=O)[O-] ZINC000511823788 1003793849 /nfs/dbraw/zinc/79/38/49/1003793849.db2.gz HJQOBIPEVPVCEA-INIZCTEOSA-N 1 0 423.391 3.627 20 5 HHBDRO C[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511824642 1003795092 /nfs/dbraw/zinc/79/50/92/1003795092.db2.gz RVKGPZZDLHDEHE-RXVVDRJESA-N 1 0 410.518 3.689 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511828776 1003799243 /nfs/dbraw/zinc/79/92/43/1003799243.db2.gz UBAMZZYNCPIHNF-MRXNPFEDSA-N 1 0 407.392 3.926 20 5 HHBDRO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000509426034 1003852276 /nfs/dbraw/zinc/85/22/76/1003852276.db2.gz PBUKLRKFVISBGB-SFHVURJKSA-N 1 0 421.453 3.624 20 5 HHBDRO COc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509567880 1003950131 /nfs/dbraw/zinc/95/01/31/1003950131.db2.gz GXDFXUOOMSVNBR-UXHICEINSA-N 1 0 411.502 3.899 20 5 HHBDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000512058169 1003989835 /nfs/dbraw/zinc/98/98/35/1003989835.db2.gz NKJLXSDJXRWTEN-UHFFFAOYSA-N 1 0 422.460 3.975 20 5 HHBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000512078108 1004005408 /nfs/dbraw/zinc/00/54/08/1004005408.db2.gz RUBZCIZYROIXSP-KSZLIROESA-N 1 0 402.539 3.539 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000512091708 1004016434 /nfs/dbraw/zinc/01/64/34/1004016434.db2.gz UUUWPFVUWLXCIF-CQSZACIVSA-N 1 0 400.454 3.621 20 5 HHBDRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000512195397 1004096783 /nfs/dbraw/zinc/09/67/83/1004096783.db2.gz MYVIPUCVQYKLLI-CQSZACIVSA-N 1 0 415.471 3.695 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000509788615 1004097897 /nfs/dbraw/zinc/09/78/97/1004097897.db2.gz KDTCQPHXOAKNDG-PKOBYXMFSA-N 1 0 417.531 3.749 20 5 HHBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000512211938 1004112970 /nfs/dbraw/zinc/11/29/70/1004112970.db2.gz JNPIODMFTBMJCE-NRFANRHFSA-N 1 0 419.485 3.677 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000501036976 1004140071 /nfs/dbraw/zinc/14/00/71/1004140071.db2.gz ORSSUVQPUPVMRB-PXNSSMCTSA-N 1 0 401.438 3.915 20 5 HHBDRO O=[N+]([O-])c1cc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c2c(c1)COCO2 ZINC000512266291 1004167663 /nfs/dbraw/zinc/16/76/63/1004167663.db2.gz AUJMQZLWUVAMTB-QHCPKHFHSA-N 1 0 409.486 3.559 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000512297000 1004200276 /nfs/dbraw/zinc/20/02/76/1004200276.db2.gz YHGVQJPFNNMSMU-CQSZACIVSA-N 1 0 418.444 3.506 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000510004544 1004259518 /nfs/dbraw/zinc/25/95/18/1004259518.db2.gz GDCGGUCCEFKTTP-DYVFJYSZSA-N 1 0 422.323 3.755 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccccc1 ZINC000501195622 1004270568 /nfs/dbraw/zinc/27/05/68/1004270568.db2.gz FJMHHHCBRGZUIG-SFHVURJKSA-N 1 0 400.479 3.678 20 5 HHBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000501215435 1004285801 /nfs/dbraw/zinc/28/58/01/1004285801.db2.gz YZLMHLUJRIPBPX-BBRMVZONSA-N 1 0 408.886 3.812 20 5 HHBDRO C[C@H]1C[C@H](CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[N@@H+]1Cc1ccccc1 ZINC000512424611 1004290318 /nfs/dbraw/zinc/29/03/18/1004290318.db2.gz RUUSCZRNVZRNJS-ICSRJNTNSA-N 1 0 422.529 3.963 20 5 HHBDRO C[C@@H]1C[C@H](CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[N@@H+]1Cc1ccccc1 ZINC000512424612 1004290451 /nfs/dbraw/zinc/29/04/51/1004290451.db2.gz RUUSCZRNVZRNJS-QUCCMNQESA-N 1 0 422.529 3.963 20 5 HHBDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000510066708 1004301104 /nfs/dbraw/zinc/30/11/04/1004301104.db2.gz SLSRBYXIQKBYLE-IBGZPJMESA-N 1 0 400.479 3.734 20 5 HHBDRO COc1cc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000512485874 1004336857 /nfs/dbraw/zinc/33/68/57/1004336857.db2.gz JGNSPPAZUMQLFB-DZGCQCFKSA-N 1 0 402.438 3.763 20 5 HHBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(OC)c1 ZINC000510192570 1004387241 /nfs/dbraw/zinc/38/72/41/1004387241.db2.gz NLZUOGCSCZUKSG-OAHLLOKOSA-N 1 0 407.854 3.945 20 5 HHBDRO O=C([C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N1CCSCC1 ZINC000512669558 1004478833 /nfs/dbraw/zinc/47/88/33/1004478833.db2.gz VIWVXOUEIJVGDH-SFHVURJKSA-N 1 0 417.556 3.863 20 5 HHBDRO CCOc1cc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])cc1OCC ZINC000501523350 1004489059 /nfs/dbraw/zinc/48/90/59/1004489059.db2.gz SKPXJFYODRUFLP-MRXNPFEDSA-N 1 0 422.507 3.878 20 5 HHBDRO C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512693961 1004499299 /nfs/dbraw/zinc/49/92/99/1004499299.db2.gz LUYBDPPJFGCJAI-FUHWJXTLSA-N 1 0 400.523 3.922 20 5 HHBDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000512857661 1004620717 /nfs/dbraw/zinc/62/07/17/1004620717.db2.gz SDPQKWNNWGGUCS-YOEHRIQHSA-N 1 0 423.560 3.521 20 5 HHBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510520979 1004647074 /nfs/dbraw/zinc/64/70/74/1004647074.db2.gz FNWCYJKHIPGUSQ-VGSWGCGISA-N 1 0 410.518 3.925 20 5 HHBDRO COc1cc(C[NH2+]C[C@H]2CCOC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512885336 1004648791 /nfs/dbraw/zinc/64/87/91/1004648791.db2.gz OGKSDUKIZISKEO-VQIMIIECSA-N 1 0 400.475 3.945 20 5 HHBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000510542754 1004675773 /nfs/dbraw/zinc/67/57/73/1004675773.db2.gz BWYHLZLSOQVBHO-SPLOXXLWSA-N 1 0 408.458 3.578 20 5 HHBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510547537 1004681391 /nfs/dbraw/zinc/68/13/91/1004681391.db2.gz KNYSALQPMRKTRC-FZKQIMNGSA-N 1 0 407.417 3.926 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC(=O)N[C@H]3C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000513065588 1004787575 /nfs/dbraw/zinc/78/75/75/1004787575.db2.gz WUTDSOCFIXLVKP-OXQOHEQNSA-N 1 0 401.463 3.646 20 5 HHBDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)s1 ZINC000513065630 1004787636 /nfs/dbraw/zinc/78/76/36/1004787636.db2.gz XCVQTBPNLJNOTL-QWHCGFSZSA-N 1 0 405.524 3.885 20 5 HHBDRO CCOc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000513121104 1004818114 /nfs/dbraw/zinc/81/81/14/1004818114.db2.gz YLFPJOUWYKWCNE-HZPDHXFCSA-N 1 0 415.490 3.700 20 5 HHBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](Oc3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000513368611 1004929268 /nfs/dbraw/zinc/92/92/68/1004929268.db2.gz XSZCHZVXUPXPER-QGZVFWFLSA-N 1 0 402.447 3.534 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@H+](CCO)CC1CC1 ZINC000510931121 1004940044 /nfs/dbraw/zinc/94/00/44/1004940044.db2.gz BWNQXLOFYRVKMJ-IBGZPJMESA-N 1 0 403.866 3.632 20 5 HHBDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1Br ZINC000510954449 1004952034 /nfs/dbraw/zinc/95/20/34/1004952034.db2.gz UAVOWCXCNOQJCO-LBPRGKRZSA-N 1 0 422.279 3.964 20 5 HHBDRO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000510960893 1004955284 /nfs/dbraw/zinc/95/52/84/1004955284.db2.gz KZXKFGSZWGMZEJ-VXKWHMMOSA-N 1 0 407.514 3.739 20 5 HHBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000511055105 1004999150 /nfs/dbraw/zinc/99/91/50/1004999150.db2.gz VHPUAYOIMHQQFC-IIBYNOLFSA-N 1 0 409.486 3.587 20 5 HHBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000511055104 1004999308 /nfs/dbraw/zinc/99/93/08/1004999308.db2.gz VHPUAYOIMHQQFC-IERDGZPVSA-N 1 0 409.486 3.587 20 5 HHBDRO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511118659 1005027153 /nfs/dbraw/zinc/02/71/53/1005027153.db2.gz BGHGJPBRMTZWSP-CYBMUJFWSA-N 1 0 411.380 3.995 20 5 HHBDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513830406 1005149738 /nfs/dbraw/zinc/14/97/38/1005149738.db2.gz WMXXMIWDRVSKAL-AQKFKSFVSA-N 1 0 420.513 3.734 20 5 HHBDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000511495750 1005200720 /nfs/dbraw/zinc/20/07/20/1005200720.db2.gz SMGHUJHJZSVGJS-NVXWUHKLSA-N 1 0 417.531 3.686 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511552150 1005221667 /nfs/dbraw/zinc/22/16/67/1005221667.db2.gz KNZDUHUSBGOMCU-GCJKJVERSA-N 1 0 410.518 3.689 20 5 HHBDRO Cn1ccnc1[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000514096428 1005263576 /nfs/dbraw/zinc/26/35/76/1005263576.db2.gz VWEIQCWJZHMRRK-JOCHJYFZSA-N 1 0 405.502 3.803 20 5 HHBDRO O=C([C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCOCC1 ZINC000514105248 1005267737 /nfs/dbraw/zinc/26/77/37/1005267737.db2.gz QARLEPFSXBNPKO-LJQANCHMSA-N 1 0 415.515 3.537 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000502908584 1005269747 /nfs/dbraw/zinc/26/97/47/1005269747.db2.gz GGEXKQMZBRYJSY-AZUAARDMSA-N 1 0 414.550 3.922 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@](F)(c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000502939798 1005284248 /nfs/dbraw/zinc/28/42/48/1005284248.db2.gz NAAYSVDHCZMJIN-NRFANRHFSA-N 1 0 401.438 3.811 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514186917 1005303258 /nfs/dbraw/zinc/30/32/58/1005303258.db2.gz UCKKQEDPAMALHE-INIZCTEOSA-N 1 0 405.401 3.591 20 5 HHBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514216628 1005317784 /nfs/dbraw/zinc/31/77/84/1005317784.db2.gz WSIUVQJRGZLDBW-UHFFFAOYSA-N 1 0 407.417 3.920 20 5 HHBDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000511778319 1005322299 /nfs/dbraw/zinc/32/22/99/1005322299.db2.gz ZIHKJYOMCLRIFG-ZIFCJYIRSA-N 1 0 415.877 3.691 20 5 HHBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000514248512 1005332791 /nfs/dbraw/zinc/33/27/91/1005332791.db2.gz RKHFDXQUQXMICB-GUXCAODWSA-N 1 0 413.474 3.760 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000503402856 1005409289 /nfs/dbraw/zinc/40/92/89/1005409289.db2.gz QJLDJFUOAWOKKC-UHFFFAOYSA-N 1 0 413.543 3.926 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000503461600 1005427550 /nfs/dbraw/zinc/42/75/50/1005427550.db2.gz MCUIDQWZAQUSBE-GOSISDBHSA-N 1 0 422.485 3.908 20 5 HHBDRO CCCOc1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])cc1OCCC ZINC000503698127 1005482564 /nfs/dbraw/zinc/48/25/64/1005482564.db2.gz HQSRMLQFLDYVJY-WBVHZDCISA-N 1 0 420.510 3.921 20 5 HHBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)c2)CC1 ZINC000504198914 1005571924 /nfs/dbraw/zinc/57/19/24/1005571924.db2.gz GAETUCFHBGBYGI-UHFFFAOYSA-N 1 0 407.474 3.859 20 5 HHBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)c2)CC1 ZINC000504206892 1005573068 /nfs/dbraw/zinc/57/30/68/1005573068.db2.gz BVEHUCBSKXMYFM-UHFFFAOYSA-N 1 0 416.909 3.960 20 5 HHBDRO COc1ccc(CSCC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000514401721 1005975303 /nfs/dbraw/zinc/97/53/03/1005975303.db2.gz ZGLNLYLFMRIIIE-LJQANCHMSA-N 1 0 423.579 3.709 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)o2)c1 ZINC000534102056 1006074723 /nfs/dbraw/zinc/07/47/23/1006074723.db2.gz QKRPKKOXYJNYBK-MSOLQXFVSA-N 1 0 403.504 3.779 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+][C@@H]3CS(=O)(=O)C[C@@H]3C)cc2[N+](=O)[O-])cc1 ZINC000515086967 1006279982 /nfs/dbraw/zinc/27/99/82/1006279982.db2.gz BVXAJLGUQYCPRC-WMLDXEAASA-N 1 0 406.529 3.577 20 5 HHBDRO O=C(NCC(F)(F)F)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000534337492 1006306493 /nfs/dbraw/zinc/30/64/93/1006306493.db2.gz WWJYCAMSBCQGJF-UHFFFAOYSA-N 1 0 411.380 3.745 20 5 HHBDRO CN(c1ccccc1)c1ccc(CNC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000531759121 1006402484 /nfs/dbraw/zinc/40/24/84/1006402484.db2.gz GPASCISOVBWISD-LADGPHEKSA-N 1 0 424.545 3.830 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[C@@H]1c1cccs1 ZINC000531780282 1006420652 /nfs/dbraw/zinc/42/06/52/1006420652.db2.gz KTPBICCSWRTEII-OXJNMPFZSA-N 1 0 414.531 3.807 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531811477 1006445473 /nfs/dbraw/zinc/44/54/73/1006445473.db2.gz FQTIJHILSZABCU-KKSFZXQISA-N 1 0 411.502 3.755 20 5 HHBDRO C[C@@H](C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000515493605 1006498929 /nfs/dbraw/zinc/49/89/29/1006498929.db2.gz SDYKJFSDFIMTFI-FGTMMUONSA-N 1 0 411.502 3.624 20 5 HHBDRO COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000515624129 1006563290 /nfs/dbraw/zinc/56/32/90/1006563290.db2.gz CSDBIZMMCAGFOQ-ZIAGYGMSSA-N 1 0 414.384 3.972 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000532016179 1006578044 /nfs/dbraw/zinc/57/80/44/1006578044.db2.gz FHHRVBOCXGASLB-CYBMUJFWSA-N 1 0 404.385 3.736 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000534635675 1006614823 /nfs/dbraw/zinc/61/48/23/1006614823.db2.gz BICVQKVWJVLIET-UHFFFAOYSA-N 1 0 410.474 3.978 20 5 HHBDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000532120903 1006652829 /nfs/dbraw/zinc/65/28/29/1006652829.db2.gz WZLHNCNZDULBFH-YDGUKXNOSA-N 1 0 415.309 3.864 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000538425765 1006692344 /nfs/dbraw/zinc/69/23/44/1006692344.db2.gz AKMWEZMACVHGAY-MOPGFXCFSA-N 1 0 403.523 3.785 20 5 HHBDRO Cn1cc(-c2ccccc2C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000538464443 1006733448 /nfs/dbraw/zinc/73/34/48/1006733448.db2.gz ZZYUOYVBHBXEHW-UHFFFAOYSA-N 1 0 402.458 3.686 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1c1ccccc1 ZINC000534753620 1006748546 /nfs/dbraw/zinc/74/85/46/1006748546.db2.gz FWSVEFBWQBISHT-HKUYNNGSSA-N 1 0 408.483 3.894 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000532537392 1006971705 /nfs/dbraw/zinc/97/17/05/1006971705.db2.gz HMKHRYFMJQKMOT-MSOLQXFVSA-N 1 0 418.538 3.518 20 5 HHBDRO CCOc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC(F)F ZINC000538735678 1007017573 /nfs/dbraw/zinc/01/75/73/1007017573.db2.gz UKXDQKYXVBRYFY-CQSZACIVSA-N 1 0 408.405 3.676 20 5 HHBDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000538736138 1007018106 /nfs/dbraw/zinc/01/81/06/1007018106.db2.gz BZXFSYJZJKULHG-KRWDZBQOSA-N 1 0 410.453 3.618 20 5 HHBDRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000538736304 1007018911 /nfs/dbraw/zinc/01/89/11/1007018911.db2.gz QNYBLAVCAMSYCZ-FQEVSTJZSA-N 1 0 420.517 3.846 20 5 HHBDRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000538736305 1007019299 /nfs/dbraw/zinc/01/92/99/1007019299.db2.gz QNYBLAVCAMSYCZ-HXUWFJFHSA-N 1 0 420.517 3.846 20 5 HHBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000516341537 1007028393 /nfs/dbraw/zinc/02/83/93/1007028393.db2.gz CMXSUBHZLMHUKY-UHFFFAOYSA-N 1 0 423.922 3.713 20 5 HHBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538750269 1007035225 /nfs/dbraw/zinc/03/52/25/1007035225.db2.gz NNQYUTQMTNEXFO-IBGZPJMESA-N 1 0 413.518 3.956 20 5 HHBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000538752332 1007037250 /nfs/dbraw/zinc/03/72/50/1007037250.db2.gz ZOCJCBRKCQLFNN-FQEVSTJZSA-N 1 0 413.518 3.956 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000538762392 1007047232 /nfs/dbraw/zinc/04/72/32/1007047232.db2.gz NQKPPVNLXQTNFZ-KRWDZBQOSA-N 1 0 410.474 3.935 20 5 HHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)n1 ZINC000516389640 1007056089 /nfs/dbraw/zinc/05/60/89/1007056089.db2.gz SYOAZWMCQNFVOX-IRXDYDNUSA-N 1 0 414.441 3.687 20 5 HHBDRO O=C(C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1)N(Cc1ccccc1)C1CC1 ZINC000532731404 1007141532 /nfs/dbraw/zinc/14/15/32/1007141532.db2.gz QIZVXJGOSYETOI-UHFFFAOYSA-N 1 0 423.513 3.877 20 5 HHBDRO COc1cccc(COc2cccc(Cl)c2C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000532865931 1007254099 /nfs/dbraw/zinc/25/40/99/1007254099.db2.gz AMMKVCBKYNLGKK-UHFFFAOYSA-N 1 0 416.865 3.822 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000532919138 1007291756 /nfs/dbraw/zinc/29/17/56/1007291756.db2.gz PBDRCNCHFWHPOC-UHFFFAOYSA-N 1 0 403.385 3.836 20 5 HHBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535251006 1007303018 /nfs/dbraw/zinc/30/30/18/1007303018.db2.gz NDVHFDKSQFJINJ-SEJPIABJSA-N 1 0 420.513 3.858 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccsc1 ZINC000535251995 1007303395 /nfs/dbraw/zinc/30/33/95/1007303395.db2.gz MMLCVDKIZJUXTE-IBGZPJMESA-N 1 0 402.520 3.807 20 5 HHBDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000539085566 1007374403 /nfs/dbraw/zinc/37/44/03/1007374403.db2.gz ONZPVEMLKQACDD-BWAGFHJFSA-N 1 0 423.513 3.705 20 5 HHBDRO COc1ccc(CN2CC[C@H]([NH2+][C@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000539085567 1007374865 /nfs/dbraw/zinc/37/48/65/1007374865.db2.gz ONZPVEMLKQACDD-COPCDDAFSA-N 1 0 423.513 3.705 20 5 HHBDRO CCC[C@@H]([NH2+][C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000539086501 1007375613 /nfs/dbraw/zinc/37/56/13/1007375613.db2.gz JGRFTSKKMZFHLC-RTWAWAEBSA-N 1 0 413.474 3.848 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000539089381 1007378767 /nfs/dbraw/zinc/37/87/67/1007378767.db2.gz BWVPGKOZMKIBRH-AWEZNQCLSA-N 1 0 418.881 3.974 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539090294 1007378783 /nfs/dbraw/zinc/37/87/83/1007378783.db2.gz LTWFUCDRQRPJBG-PEBXRYMYSA-N 1 0 411.458 3.824 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(CNc3cccnc3N3CCC(O)CC3)cs2)c1 ZINC000539103301 1007391501 /nfs/dbraw/zinc/39/15/01/1007391501.db2.gz NUGSVTXVGUMWLR-UHFFFAOYSA-N 1 0 411.487 3.687 20 5 HHBDRO CC[N@H+](CCC1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)CC(C)C ZINC000539108119 1007395484 /nfs/dbraw/zinc/39/54/84/1007395484.db2.gz ZMTOXKLBIJWMIM-UHFFFAOYSA-N 1 0 417.597 3.644 20 5 HHBDRO O=C1C[C@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1Cc1ccccc1 ZINC000535369738 1007429877 /nfs/dbraw/zinc/42/98/77/1007429877.db2.gz SATPBLUMQFDBQM-GOSISDBHSA-N 1 0 405.454 3.993 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[C@@H]1c1ccccc1 ZINC000535394603 1007460731 /nfs/dbraw/zinc/46/07/31/1007460731.db2.gz JOYPZNIFWANMLY-YADHBBJMSA-N 1 0 424.501 3.593 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000539219773 1007510302 /nfs/dbraw/zinc/51/03/02/1007510302.db2.gz QSHAJAYRDMHROF-NWDGAFQWSA-N 1 0 409.389 3.883 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000539219775 1007510619 /nfs/dbraw/zinc/51/06/19/1007510619.db2.gz QSHAJAYRDMHROF-VXGBXAGGSA-N 1 0 409.389 3.883 20 5 HHBDRO CC(C)C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000539261525 1007556958 /nfs/dbraw/zinc/55/69/58/1007556958.db2.gz RDIVGDQLBQMCKB-SJORKVTESA-N 1 0 400.401 3.548 20 5 HHBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC000539276396 1007570544 /nfs/dbraw/zinc/57/05/44/1007570544.db2.gz LCGGENNOCKQQSQ-HNNXBMFYSA-N 1 0 405.838 3.699 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539282192 1007577812 /nfs/dbraw/zinc/57/78/12/1007577812.db2.gz WEABRHMSCZNNIC-OLZOCXBDSA-N 1 0 406.280 3.885 20 5 HHBDRO COc1ccc(C[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000535628378 1007630785 /nfs/dbraw/zinc/63/07/85/1007630785.db2.gz PGFJSKHFHVBYMN-CVEARBPZSA-N 1 0 415.490 3.750 20 5 HHBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(-c2ccncc2)cc1 ZINC000539341619 1007642857 /nfs/dbraw/zinc/64/28/57/1007642857.db2.gz CCVRILATLZVNEN-INIZCTEOSA-N 1 0 402.454 3.897 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000539342902 1007643589 /nfs/dbraw/zinc/64/35/89/1007643589.db2.gz RKAWIDDKVNRHRT-HNNXBMFYSA-N 1 0 406.442 3.955 20 5 HHBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)c1ccccc1O2 ZINC000535670704 1007689354 /nfs/dbraw/zinc/68/93/54/1007689354.db2.gz JPHDSDUAMPCFDT-GOSISDBHSA-N 1 0 420.469 3.794 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(OCc4ccccn4)cc3)C2)nc1 ZINC000533378723 1007690833 /nfs/dbraw/zinc/69/08/33/1007690833.db2.gz OZXRGLZFJYDZNC-SFHVURJKSA-N 1 0 405.458 3.650 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535679562 1007707237 /nfs/dbraw/zinc/70/72/37/1007707237.db2.gz JRLMBTLKBKKBFP-JLTOFOAXSA-N 1 0 421.856 3.575 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000533426348 1007735700 /nfs/dbraw/zinc/73/57/00/1007735700.db2.gz ACWCIMHNHOIFJJ-QGZVFWFLSA-N 1 0 413.449 3.966 20 5 HHBDRO Cc1ccc(Sc2ccc(C[NH2+]CCCN3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000517525149 1007744048 /nfs/dbraw/zinc/74/40/48/1007744048.db2.gz MPHIJTOGPHYUHC-UHFFFAOYSA-N 1 0 401.532 3.866 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000533437135 1007751422 /nfs/dbraw/zinc/75/14/22/1007751422.db2.gz FUUQMNUJDMESBS-INIZCTEOSA-N 1 0 401.438 3.636 20 5 HHBDRO C[NH+](C)CCOc1cc(-c2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)ccn1 ZINC000517543667 1007759631 /nfs/dbraw/zinc/75/96/31/1007759631.db2.gz PGXWTDQYELFLNG-UHFFFAOYSA-N 1 0 423.351 3.666 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000539448857 1007760772 /nfs/dbraw/zinc/76/07/72/1007760772.db2.gz IWTLXYZFSQSEAW-HNNXBMFYSA-N 1 0 403.504 3.697 20 5 HHBDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000517559005 1007770176 /nfs/dbraw/zinc/77/01/76/1007770176.db2.gz NSGNLKMHUCDEMN-QGZVFWFLSA-N 1 0 405.882 3.851 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000533471716 1007781043 /nfs/dbraw/zinc/78/10/43/1007781043.db2.gz HENRVAPTDIOLRH-OAQYLSRUSA-N 1 0 404.426 3.667 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000533483319 1007791914 /nfs/dbraw/zinc/79/19/14/1007791914.db2.gz RKZBVWTWIYBQLK-INIZCTEOSA-N 1 0 405.495 3.676 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000535801459 1007808345 /nfs/dbraw/zinc/80/83/45/1007808345.db2.gz OCARHGUGCPAZKL-GXTWGEPZSA-N 1 0 404.385 3.545 20 5 HHBDRO CCOc1cc(C[NH+]2[C@H](C)CC[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000535820472 1007832482 /nfs/dbraw/zinc/83/24/82/1007832482.db2.gz ZTJTZXGWHOCIJZ-HZPDHXFCSA-N 1 0 402.495 3.950 20 5 HHBDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539525828 1007833962 /nfs/dbraw/zinc/83/39/62/1007833962.db2.gz LDGKXBZMFLHKIX-OFJJUDJNSA-N 1 0 412.515 3.694 20 5 HHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000517630393 1007839321 /nfs/dbraw/zinc/83/93/21/1007839321.db2.gz ALDIFIWZGCYHKR-UHFFFAOYSA-N 1 0 412.490 3.952 20 5 HHBDRO CC1(C)C[N@@H+](C2(CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])CCCCC2)CCO1 ZINC000517646786 1007857565 /nfs/dbraw/zinc/85/75/65/1007857565.db2.gz KOIMKSISXHWXKU-UHFFFAOYSA-N 1 0 409.914 3.792 20 5 HHBDRO Cc1cc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000539549525 1007861636 /nfs/dbraw/zinc/86/16/36/1007861636.db2.gz BVWWGWWRIXLYKD-UHFFFAOYSA-N 1 0 412.412 3.542 20 5 HHBDRO CN1CCN([C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2cccs2)CC1 ZINC000517675012 1007889969 /nfs/dbraw/zinc/88/99/69/1007889969.db2.gz MQASRCJNOJYKBX-VQTJNVASSA-N 1 0 400.548 3.612 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000539599018 1007919230 /nfs/dbraw/zinc/91/92/30/1007919230.db2.gz FMVQGAGZWISVQN-QGZVFWFLSA-N 1 0 417.531 3.954 20 5 HHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c2c(c1)COCO2 ZINC000539767024 1008083940 /nfs/dbraw/zinc/08/39/40/1008083940.db2.gz UBQYCJGFMJYSMB-MRXNPFEDSA-N 1 0 421.457 3.626 20 5 HHBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000536093904 1008116187 /nfs/dbraw/zinc/11/61/87/1008116187.db2.gz CSIXSNIPCCINGH-LJQANCHMSA-N 1 0 403.866 3.824 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)[C@@H]1c1cccs1 ZINC000533864637 1008167353 /nfs/dbraw/zinc/16/73/53/1008167353.db2.gz QGKCCRKXIRYIIV-MGPUTAFESA-N 1 0 414.531 3.807 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000539935202 1008192991 /nfs/dbraw/zinc/19/29/91/1008192991.db2.gz FXNFUHQNBQONMU-LJQANCHMSA-N 1 0 413.474 3.569 20 5 HHBDRO CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000533926533 1008210107 /nfs/dbraw/zinc/21/01/07/1008210107.db2.gz JLPMFCNQIAQDGY-HXUWFJFHSA-N 1 0 406.486 3.742 20 5 HHBDRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000518232440 1008217604 /nfs/dbraw/zinc/21/76/04/1008217604.db2.gz WBDRWULKLGYAAC-UHFFFAOYSA-N 1 0 410.474 3.591 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000518261977 1008231532 /nfs/dbraw/zinc/23/15/32/1008231532.db2.gz XGJJEVRTZPXYMR-HUUCEWRRSA-N 1 0 414.481 3.724 20 5 HHBDRO COc1cc(CNCC[NH+]2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000518286529 1008239686 /nfs/dbraw/zinc/23/96/86/1008239686.db2.gz DTBSZSIBPIQOOZ-ZIAGYGMSSA-N 1 0 419.444 3.897 20 5 HHBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000518356062 1008274525 /nfs/dbraw/zinc/27/45/25/1008274525.db2.gz CEZLXLMJYKOPJQ-SFHVURJKSA-N 1 0 416.566 3.828 20 5 HHBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)cc1 ZINC000518450848 1008312314 /nfs/dbraw/zinc/31/23/14/1008312314.db2.gz YTOXJVMRMAFXKT-UHFFFAOYSA-N 1 0 417.263 3.916 20 5 HHBDRO Cc1c([C@H](C)[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000540170638 1008320607 /nfs/dbraw/zinc/32/06/07/1008320607.db2.gz HVDQFPVEHAYYMM-KRWDZBQOSA-N 1 0 417.531 3.548 20 5 HHBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000540186974 1008327612 /nfs/dbraw/zinc/32/76/12/1008327612.db2.gz PZSKNPOXHCNSLJ-INIZCTEOSA-N 1 0 405.520 3.519 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000518615299 1008366383 /nfs/dbraw/zinc/36/63/83/1008366383.db2.gz FEISBPMUTLNQFP-PBHICJAKSA-N 1 0 423.267 3.642 20 5 HHBDRO CCOc1cc(NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000518626443 1008370698 /nfs/dbraw/zinc/37/06/98/1008370698.db2.gz YYFUCPIQKMIDFY-GASCZTMLSA-N 1 0 408.499 3.777 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540378670 1008407405 /nfs/dbraw/zinc/40/74/05/1008407405.db2.gz BJAVJJCCMZOSPZ-HNNXBMFYSA-N 1 0 405.458 3.947 20 5 HHBDRO COCCSc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000518789812 1008421100 /nfs/dbraw/zinc/42/11/00/1008421100.db2.gz DVGGQTLQDZJNDE-FOIQADDNSA-N 1 0 415.515 3.789 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 ZINC000540438681 1008434730 /nfs/dbraw/zinc/43/47/30/1008434730.db2.gz RGPUEKGOZUOPKS-OAHLLOKOSA-N 1 0 406.442 3.955 20 5 HHBDRO COc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000540480566 1008448661 /nfs/dbraw/zinc/44/86/61/1008448661.db2.gz OKBYUVJAJOAHJK-HNNXBMFYSA-N 1 0 415.446 3.648 20 5 HHBDRO C[N@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 ZINC000540543468 1008474791 /nfs/dbraw/zinc/47/47/91/1008474791.db2.gz MQCBRQPTFNDJLM-UHFFFAOYSA-N 1 0 414.893 3.852 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NCC3=CC[N@H+](C)CC3)cc2[N+](=O)[O-])n1 ZINC000540544597 1008475391 /nfs/dbraw/zinc/47/53/91/1008475391.db2.gz QHNKYELLHXVVBQ-UHFFFAOYSA-N 1 0 404.517 3.503 20 5 HHBDRO CCc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000519054633 1008512811 /nfs/dbraw/zinc/51/28/11/1008512811.db2.gz PQVKEFIIHURGIW-IFXJQAMLSA-N 1 0 419.909 3.997 20 5 HHBDRO CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545517700 1008619359 /nfs/dbraw/zinc/61/93/59/1008619359.db2.gz ZKJHXQQADUVNFJ-HXUWFJFHSA-N 1 0 407.474 3.741 20 5 HHBDRO COc1cc(-c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1OCC[NH+](C)C ZINC000545577178 1008677453 /nfs/dbraw/zinc/67/74/53/1008677453.db2.gz WIJULWBELXARQZ-UHFFFAOYSA-N 1 0 418.837 3.914 20 5 HHBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1C(F)(F)F ZINC000543184596 1008758790 /nfs/dbraw/zinc/75/87/90/1008758790.db2.gz BYUAMRIIZMBNLI-GFCCVEGCSA-N 1 0 402.394 3.738 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000543208039 1008778644 /nfs/dbraw/zinc/77/86/44/1008778644.db2.gz JVVLWSSIRGEURG-QGZVFWFLSA-N 1 0 413.449 3.835 20 5 HHBDRO CC[NH+]1CCN(c2ccc(-c3noc(/C(C)=C/c4ccc([N+](=O)[O-])cc4)n3)cn2)CC1 ZINC000545695116 1008788665 /nfs/dbraw/zinc/78/86/65/1008788665.db2.gz JKFXTEHYMMCZTI-JQIJEIRASA-N 1 0 420.473 3.742 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549232369 1008803298 /nfs/dbraw/zinc/80/32/98/1008803298.db2.gz CMULRBQGFORVIJ-QGZVFWFLSA-N 1 0 416.909 3.984 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)s1 ZINC000549264246 1008834183 /nfs/dbraw/zinc/83/41/83/1008834183.db2.gz TVTYVPNFFSVDRE-MGPUTAFESA-N 1 0 402.516 3.981 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000549301209 1008875912 /nfs/dbraw/zinc/87/59/12/1008875912.db2.gz UDBVFJQVHJZBMX-KUHUBIRLSA-N 1 0 403.504 3.868 20 5 HHBDRO CCc1ccc([C@H](NC[C@H](O)C[NH+]2CCC(C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403780 1008996759 /nfs/dbraw/zinc/99/67/59/1008996759.db2.gz UPJFOCQLFMPYPM-SIKLNZKXSA-N 1 0 401.507 3.522 20 5 HHBDRO CC(=O)NCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCSCC1 ZINC000549452511 1009042871 /nfs/dbraw/zinc/04/28/71/1009042871.db2.gz SKHSVSOMGRLIBC-UHFFFAOYSA-N 1 0 403.504 3.689 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000546009618 1009044871 /nfs/dbraw/zinc/04/48/71/1009044871.db2.gz RGDJGJFORHKXMI-KRWDZBQOSA-N 1 0 410.396 3.716 20 5 HHBDRO COC(=O)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000543460555 1009047435 /nfs/dbraw/zinc/04/74/35/1009047435.db2.gz OLELTNOQALACGS-PXAZEXFGSA-N 1 0 411.886 3.677 20 5 HHBDRO Cc1cc(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000546036635 1009060512 /nfs/dbraw/zinc/06/05/12/1009060512.db2.gz UIZAWAZXWGSUMD-UHFFFAOYSA-N 1 0 411.506 3.627 20 5 HHBDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3cc(OC)c(F)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000549471428 1009066810 /nfs/dbraw/zinc/06/68/10/1009066810.db2.gz JDOJNEYHTHOEPB-SIKLNZKXSA-N 1 0 415.465 3.819 20 5 HHBDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)CCN2C2CC2)c1 ZINC000549476704 1009073144 /nfs/dbraw/zinc/07/31/44/1009073144.db2.gz OPMSBDGQDYVPMW-PGRDOPGGSA-N 1 0 408.458 3.812 20 5 HHBDRO CC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519917806 1009076025 /nfs/dbraw/zinc/07/60/25/1009076025.db2.gz KLZCHWBTFMHUFQ-KRWDZBQOSA-N 1 0 409.280 3.619 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000549482397 1009082834 /nfs/dbraw/zinc/08/28/34/1009082834.db2.gz QJTVXUWWBKPDCB-UHFFFAOYSA-N 1 0 407.392 3.962 20 5 HHBDRO COc1ccc(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000519934122 1009088779 /nfs/dbraw/zinc/08/87/79/1009088779.db2.gz PVVDFKZOFZPWAC-HXUWFJFHSA-N 1 0 412.490 3.548 20 5 HHBDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(C(C)(C)C)cs1 ZINC000543513774 1009103246 /nfs/dbraw/zinc/10/32/46/1009103246.db2.gz GTZCVKZJIXFRGY-GFCCVEGCSA-N 1 0 404.492 3.998 20 5 HHBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCOCC1 ZINC000543645616 1009250952 /nfs/dbraw/zinc/25/09/52/1009250952.db2.gz FJPVHRDLROJPLN-UHFFFAOYSA-N 1 0 421.563 3.718 20 5 HHBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000520094086 1009251799 /nfs/dbraw/zinc/25/17/99/1009251799.db2.gz CQCFHYHJCFDCDR-IBGZPJMESA-N 1 0 402.882 3.613 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000520105734 1009262292 /nfs/dbraw/zinc/26/22/92/1009262292.db2.gz BVZILTQCIZJMCS-UHFFFAOYSA-N 1 0 424.270 3.700 20 5 HHBDRO COc1cc(CN[C@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000520227068 1009352795 /nfs/dbraw/zinc/35/27/95/1009352795.db2.gz COOBOMMFVKTOIQ-AWEZNQCLSA-N 1 0 417.428 3.651 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520233782 1009355345 /nfs/dbraw/zinc/35/53/45/1009355345.db2.gz NHJHQMAXJREYLL-UHFFFAOYSA-N 1 0 413.371 3.957 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000520267973 1009385257 /nfs/dbraw/zinc/38/52/57/1009385257.db2.gz NKLXVCFEODOUOD-IBGZPJMESA-N 1 0 408.458 3.863 20 5 HHBDRO COc1cc(-c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)cc([N+](=O)[O-])c1OC ZINC000546392289 1009400573 /nfs/dbraw/zinc/40/05/73/1009400573.db2.gz WGDPVDRXHVTSTI-UHFFFAOYSA-N 1 0 410.430 3.925 20 5 HHBDRO COc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000543884556 1009460591 /nfs/dbraw/zinc/46/05/91/1009460591.db2.gz NKIWDUNYEGZPQN-UHFFFAOYSA-N 1 0 402.426 3.529 20 5 HHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000549927809 1009542381 /nfs/dbraw/zinc/54/23/81/1009542381.db2.gz FEGXCAZXCDVXME-LJQANCHMSA-N 1 0 409.408 3.777 20 5 HHBDRO CC(C)(C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000546539550 1009561284 /nfs/dbraw/zinc/56/12/84/1009561284.db2.gz XNJTWCQVLZIGOG-UHFFFAOYSA-N 1 0 413.493 3.835 20 5 HHBDRO COc1cc(OCC(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000520566760 1009649334 /nfs/dbraw/zinc/64/93/34/1009649334.db2.gz JTFVKDYTATVMMT-UHFFFAOYSA-N 1 0 413.474 3.853 20 5 HHBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000544124447 1009732733 /nfs/dbraw/zinc/73/27/33/1009732733.db2.gz YCGKHFYZZNTMFZ-AWEZNQCLSA-N 1 0 422.478 3.647 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000546798755 1009764791 /nfs/dbraw/zinc/76/47/91/1009764791.db2.gz BVYYCNJNSNOJCS-QGZVFWFLSA-N 1 0 417.531 3.589 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000550238077 1009795798 /nfs/dbraw/zinc/79/57/98/1009795798.db2.gz POBZLOMAKRPMBZ-GFCCVEGCSA-N 1 0 417.828 3.862 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC4(CCC[N@@H+]4C)CC3)cc2[N+](=O)[O-])C1 ZINC000546977589 1009933106 /nfs/dbraw/zinc/93/31/06/1009933106.db2.gz PDLHTECRQZUBRB-QGZVFWFLSA-N 1 0 400.523 3.532 20 5 HHBDRO CC1CC[NH+](C[C@@H](O)CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000520974058 1010016762 /nfs/dbraw/zinc/01/67/62/1010016762.db2.gz QEGQRTKJACBWLB-NRFANRHFSA-N 1 0 412.534 3.545 20 5 HHBDRO C[N@@H+]1CCCN(c2ccc(-c3noc(C(C)(C)c4ccc([N+](=O)[O-])cc4)n3)cn2)CC1 ZINC000547072881 1010027023 /nfs/dbraw/zinc/02/70/23/1010027023.db2.gz TVLUFNSMEGGDQX-UHFFFAOYSA-N 1 0 422.489 3.508 20 5 HHBDRO CCCc1n[nH]c(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000521034950 1010066391 /nfs/dbraw/zinc/06/63/91/1010066391.db2.gz APCVLNYEMXINPG-IYBDPMFKSA-N 1 0 413.522 3.678 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000544534063 1010163525 /nfs/dbraw/zinc/16/35/25/1010163525.db2.gz ULMSKPBLKKBJSX-FOIQADDNSA-N 1 0 415.465 3.799 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000544741910 1010347616 /nfs/dbraw/zinc/34/76/16/1010347616.db2.gz CIDBGYBZJKMKLP-INIZCTEOSA-N 1 0 403.504 3.911 20 5 HHBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000521540414 1010449519 /nfs/dbraw/zinc/44/95/19/1010449519.db2.gz BQZFRZFJOWPBOB-IRXDYDNUSA-N 1 0 402.539 3.633 20 5 HHBDRO C[C@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000521582157 1010479697 /nfs/dbraw/zinc/47/96/97/1010479697.db2.gz KLPRGMZDBTZUEX-HNNXBMFYSA-N 1 0 417.893 3.913 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000521639902 1010516380 /nfs/dbraw/zinc/51/63/80/1010516380.db2.gz DWJXNIKNLYQALS-AEFFLSMTSA-N 1 0 400.523 3.578 20 5 HHBDRO Cc1c(Cl)cccc1N1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000551443420 1010589372 /nfs/dbraw/zinc/58/93/72/1010589372.db2.gz ABADJZLKAOVVNR-QGZVFWFLSA-N 1 0 419.909 3.509 20 5 HHBDRO C[NH+](C)CCOc1ccccc1-c1noc(C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000545083989 1010603210 /nfs/dbraw/zinc/60/32/10/1010603210.db2.gz JQFVPHODMNZIOF-UHFFFAOYSA-N 1 0 404.373 3.725 20 5 HHBDRO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000548522557 1010655653 /nfs/dbraw/zinc/65/56/53/1010655653.db2.gz YTMRDCOWMLDYLQ-ZDUSSCGKSA-N 1 0 419.279 3.764 20 5 HHBDRO O=C(CC[NH+]1CCC(N2CCc3cc(F)ccc32)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000548921189 1010760801 /nfs/dbraw/zinc/76/08/01/1010760801.db2.gz RFWSCDKODORCKM-UHFFFAOYSA-N 1 0 412.465 3.590 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000545387573 1010768329 /nfs/dbraw/zinc/76/83/29/1010768329.db2.gz WNVUAAIBQDNGPW-KRWDZBQOSA-N 1 0 417.531 3.589 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000545387574 1010768466 /nfs/dbraw/zinc/76/84/66/1010768466.db2.gz WNVUAAIBQDNGPW-QGZVFWFLSA-N 1 0 417.531 3.589 20 5 HHBDRO CC[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000545396540 1010771948 /nfs/dbraw/zinc/77/19/48/1010771948.db2.gz RPYQILLDGPRSSN-IBGZPJMESA-N 1 0 407.474 3.741 20 5 HHBDRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000522044509 1010774484 /nfs/dbraw/zinc/77/44/84/1010774484.db2.gz XIFTYBCXEMKSQD-UHFFFAOYSA-N 1 0 403.866 3.653 20 5 HHBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000522557824 1011078830 /nfs/dbraw/zinc/07/88/30/1011078830.db2.gz IIPFXHGGARRIQM-AWEZNQCLSA-N 1 0 423.922 3.752 20 5 HHBDRO COc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC000540616710 1011269421 /nfs/dbraw/zinc/26/94/21/1011269421.db2.gz OIUKAJRMQJXCKC-UHFFFAOYSA-N 1 0 403.442 3.842 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000540641988 1011292259 /nfs/dbraw/zinc/29/22/59/1011292259.db2.gz OIYDORZPOFPCHI-UHFFFAOYSA-N 1 0 404.492 3.683 20 5 HHBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)c2C1 ZINC000540694785 1011347307 /nfs/dbraw/zinc/34/73/07/1011347307.db2.gz CAONOFAUCITZPY-UHFFFAOYSA-N 1 0 424.501 3.655 20 5 HHBDRO CC(C)CCSc1ccc(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1[N+](=O)[O-] ZINC000536208822 1011355128 /nfs/dbraw/zinc/35/51/28/1011355128.db2.gz OYLBDUVVQQKYJV-UHFFFAOYSA-N 1 0 423.579 3.652 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000536261295 1011426281 /nfs/dbraw/zinc/42/62/81/1011426281.db2.gz BHBRQCSZVWTBPQ-OXJNMPFZSA-N 1 0 403.866 3.579 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)nc1-c1ccccc1 ZINC000536389429 1011597095 /nfs/dbraw/zinc/59/70/95/1011597095.db2.gz ABGDGOCTQOXWHL-LEWJYISDSA-N 1 0 418.497 3.952 20 5 HHBDRO C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541026261 1011661793 /nfs/dbraw/zinc/66/17/93/1011661793.db2.gz WRODSRFEWFZGDJ-RHSMWYFYSA-N 1 0 419.428 3.837 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1OC ZINC000541060294 1011700336 /nfs/dbraw/zinc/70/03/36/1011700336.db2.gz OWSYWBSSYHFVGU-BQFCYCMXSA-N 1 0 419.522 3.519 20 5 HHBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000536510646 1011710215 /nfs/dbraw/zinc/71/02/15/1011710215.db2.gz UXEUSTLXKBZPQB-UHFFFAOYSA-N 1 0 412.490 3.524 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000523284745 1011764842 /nfs/dbraw/zinc/76/48/42/1011764842.db2.gz BXAZQPDFXHRDBG-PKOBYXMFSA-N 1 0 400.523 3.532 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000536626122 1011781968 /nfs/dbraw/zinc/78/19/68/1011781968.db2.gz FEUFVRQQSLLFFD-APWZRJJASA-N 1 0 418.563 3.694 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000536756401 1011947166 /nfs/dbraw/zinc/94/71/66/1011947166.db2.gz PKCWCJMXKUDLJH-HIFRSBDPSA-N 1 0 406.401 3.838 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000536837382 1012067459 /nfs/dbraw/zinc/06/74/59/1012067459.db2.gz FBDWFXVZUBAWMP-RHSMWYFYSA-N 1 0 401.438 3.979 20 5 HHBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536859973 1012094399 /nfs/dbraw/zinc/09/43/99/1012094399.db2.gz XTCQATCNOLPBCC-CZUORRHYSA-N 1 0 411.487 3.513 20 5 HHBDRO CC[C@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000536865835 1012102766 /nfs/dbraw/zinc/10/27/66/1012102766.db2.gz SYQZRAJJDBPAKT-NRFANRHFSA-N 1 0 417.531 3.736 20 5 HHBDRO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000552096508 1012112916 /nfs/dbraw/zinc/11/29/16/1012112916.db2.gz CNRJILFVQVMJLZ-UZLBHIALSA-N 1 0 407.470 3.582 20 5 HHBDRO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000552096505 1012113070 /nfs/dbraw/zinc/11/30/70/1012113070.db2.gz CNRJILFVQVMJLZ-JXFKEZNVSA-N 1 0 407.470 3.582 20 5 HHBDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000552168468 1012185246 /nfs/dbraw/zinc/18/52/46/1012185246.db2.gz FSJXIRAROWOOQC-UHFFFAOYSA-N 1 0 410.312 3.765 20 5 HHBDRO COc1ccc(OCC[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c([N+](=O)[O-])c1 ZINC000541603791 1012402272 /nfs/dbraw/zinc/40/22/72/1012402272.db2.gz ZMIPIYAXAFGDSX-LLVKDONJSA-N 1 0 416.400 3.709 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H](CO)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000552424917 1012443475 /nfs/dbraw/zinc/44/34/75/1012443475.db2.gz AKKQEQNUKSEZFN-KRWDZBQOSA-N 1 0 400.475 3.777 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541702422 1012551645 /nfs/dbraw/zinc/55/16/45/1012551645.db2.gz ZGEHMJXTHMHFKE-QFBILLFUSA-N 1 0 417.437 3.533 20 5 HHBDRO C[C@H]1[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCC12CCOCC2 ZINC000541728093 1012578853 /nfs/dbraw/zinc/57/88/53/1012578853.db2.gz QNLXOBZQIUXCHJ-CQSZACIVSA-N 1 0 416.503 3.548 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CC(C)C)c1ccccc1OC ZINC000537174311 1012580257 /nfs/dbraw/zinc/58/02/57/1012580257.db2.gz FJBXJCFXNDRRRO-SFHVURJKSA-N 1 0 401.463 3.928 20 5 HHBDRO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537174775 1012580488 /nfs/dbraw/zinc/58/04/88/1012580488.db2.gz CDNSXQLCHCQPHG-LBPRGKRZSA-N 1 0 405.476 3.657 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541739518 1012595264 /nfs/dbraw/zinc/59/52/64/1012595264.db2.gz JGQSLGUZGDYSQG-HEFCMCLBSA-N 1 0 401.438 3.961 20 5 HHBDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000541743464 1012600371 /nfs/dbraw/zinc/60/03/71/1012600371.db2.gz JAVZMHNFNYPAEN-LEWJYISDSA-N 1 0 418.515 3.657 20 5 HHBDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000541743470 1012600427 /nfs/dbraw/zinc/60/04/27/1012600427.db2.gz JAVZMHNFNYPAEN-RTWAWAEBSA-N 1 0 418.515 3.657 20 5 HHBDRO CC[N@H+](CCNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)C1CC1 ZINC000523894051 1012601840 /nfs/dbraw/zinc/60/18/40/1012601840.db2.gz LLZCNLQKKXZTBK-UHFFFAOYSA-N 1 0 406.533 3.725 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000541755308 1012615768 /nfs/dbraw/zinc/61/57/68/1012615768.db2.gz MVMUVJVMCDLJMQ-UHFFFAOYSA-N 1 0 420.307 3.804 20 5 HHBDRO C[C@@H](C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541798030 1012674898 /nfs/dbraw/zinc/67/48/98/1012674898.db2.gz XPQMDOUHCVEODZ-IXDOHACOSA-N 1 0 421.513 3.575 20 5 HHBDRO Cc1nc(-c2ccc(CC[NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)s2)cs1 ZINC000552679433 1012687451 /nfs/dbraw/zinc/68/74/51/1012687451.db2.gz DPMMLMDLQVJVII-HNNXBMFYSA-N 1 0 419.528 3.660 20 5 HHBDRO C[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000523958319 1012701174 /nfs/dbraw/zinc/70/11/74/1012701174.db2.gz RHGXGJCNEBESAP-HNNXBMFYSA-N 1 0 417.893 3.580 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000537297896 1012755410 /nfs/dbraw/zinc/75/54/10/1012755410.db2.gz IVDVACKHILYDBY-SFHVURJKSA-N 1 0 401.463 3.609 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000552866481 1012870889 /nfs/dbraw/zinc/87/08/89/1012870889.db2.gz CXQKVWOSLBFDFM-GFCCVEGCSA-N 1 0 409.389 3.884 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H](NCc1ccccc1)c1ccco1 ZINC000552868666 1012873087 /nfs/dbraw/zinc/87/30/87/1012873087.db2.gz BRSDUYCSZNHISX-FQEVSTJZSA-N 1 0 418.453 3.790 20 5 HHBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000542000051 1012879746 /nfs/dbraw/zinc/87/97/46/1012879746.db2.gz JVPJLMZZOWVNTO-UHFFFAOYSA-N 1 0 408.974 3.876 20 5 HHBDRO COc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000542031248 1012928645 /nfs/dbraw/zinc/92/86/45/1012928645.db2.gz ALDGMHYZNAOMOE-AWEZNQCLSA-N 1 0 404.492 3.699 20 5 HHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000537469756 1012974229 /nfs/dbraw/zinc/97/42/29/1012974229.db2.gz CWODNNREUGZZNW-MRXNPFEDSA-N 1 0 421.563 3.718 20 5 HHBDRO C[NH+](C)CCOc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1Cl ZINC000524194649 1013001686 /nfs/dbraw/zinc/00/16/86/1013001686.db2.gz GCMNMBFGBDHRCF-UHFFFAOYSA-N 1 0 406.870 3.629 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729684434 1071802378 /nfs/dbraw/zinc/80/23/78/1071802378.db2.gz PMGKBGLJVQEEFY-PKOBYXMFSA-N 1 0 417.893 3.993 20 5 HHBDRO O=[N+]([O-])c1cc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1Oc1ccccc1Cl ZINC000729683800 1071807010 /nfs/dbraw/zinc/80/70/10/1071807010.db2.gz BKESFDZHMQSIAY-IRXDYDNUSA-N 1 0 417.893 3.993 20 5 HHBDRO CCc1ccc([C@H](CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[NH+](CC)CC)cc1 ZINC001212021826 1071902487 /nfs/dbraw/zinc/90/24/87/1071902487.db2.gz VQYOIMPKHVLOTQ-FQEVSTJZSA-N 1 0 419.547 3.827 20 5 HHBDRO CC[C@@H](C)[N@H+](C)CCn1c(C2CCC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001545670450 1072006881 /nfs/dbraw/zinc/00/68/81/1072006881.db2.gz QOBHDSRXFJNSFV-MRXNPFEDSA-N 1 0 412.538 3.747 20 5 HHBDRO C[C@@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1nccs1 ZINC000569860634 1072056784 /nfs/dbraw/zinc/05/67/84/1072056784.db2.gz HPNMPRXJGPTQCT-VIFPVBQESA-N 1 0 403.245 3.549 20 5 HHBDRO COc1ccc([C@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[NH+]2CCCCC2)cc1 ZINC000913088478 1072326944 /nfs/dbraw/zinc/32/69/44/1072326944.db2.gz UDXJOGDRPMRVAO-ZSXWFXDASA-N 1 0 409.486 3.960 20 5 HHBDRO C[N@@H+]1CC[C@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000588008686 1072743437 /nfs/dbraw/zinc/74/34/37/1072743437.db2.gz DAHNCAITCAOSOK-KZULUSFZSA-N 1 0 408.861 3.567 20 5 HHBDRO CSc1ccc([C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000567423277 1072889333 /nfs/dbraw/zinc/88/93/33/1072889333.db2.gz INWAJIMENBSTIE-HXUWFJFHSA-N 1 0 414.531 3.924 20 5 HHBDRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000554889749 1072928371 /nfs/dbraw/zinc/92/83/71/1072928371.db2.gz HZTOYRJKPVAMEX-MRXNPFEDSA-N 1 0 411.568 3.600 20 5 HHBDRO CN(C)C(=O)C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000571987956 1072963993 /nfs/dbraw/zinc/96/39/93/1072963993.db2.gz VLTRJOFGCOVHTA-IBGZPJMESA-N 1 0 408.458 3.602 20 5 HHBDRO Cc1csc([C@@H](C)C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000572326867 1073241169 /nfs/dbraw/zinc/24/11/69/1073241169.db2.gz JWQWCQGMLGGASE-VIFPVBQESA-N 1 0 417.272 3.858 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(F)c(Br)c1 ZINC000590192737 1073637459 /nfs/dbraw/zinc/63/74/59/1073637459.db2.gz GBFIHZZYCAZFKY-LLVKDONJSA-N 1 0 422.254 3.736 20 5 HHBDRO COc1cc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000555638431 1073692663 /nfs/dbraw/zinc/69/26/63/1073692663.db2.gz UZNBGTAHJAETNO-ZHRRBRCNSA-N 1 0 400.475 3.823 20 5 HHBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000590445870 1073838663 /nfs/dbraw/zinc/83/86/63/1073838663.db2.gz SOEIKQVMCJUHDW-JXFKEZNVSA-N 1 0 414.893 3.636 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000555847645 1073898432 /nfs/dbraw/zinc/89/84/32/1073898432.db2.gz WEDLQHIRPZKTAX-KRWDZBQOSA-N 1 0 424.270 3.838 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000573726544 1074638816 /nfs/dbraw/zinc/63/88/16/1074638816.db2.gz VBBILYSMAXHLEQ-BLLLJJGKSA-N 1 0 414.380 3.856 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000574507274 1075286423 /nfs/dbraw/zinc/28/64/23/1075286423.db2.gz RKYPCNLSNYWXOH-LJQANCHMSA-N 1 0 400.479 3.517 20 5 HHBDRO CSc1nc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164629641 719082000 /nfs/dbraw/zinc/08/20/00/719082000.db2.gz YIOCQCSKEWLENR-GJZGRUSLSA-N 1 0 419.938 3.861 20 5 HHBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc([N+](=O)[O-])c4cc[nH]c4n2)CC3)cs1 ZINC001164691227 719812005 /nfs/dbraw/zinc/81/20/05/719812005.db2.gz BEPWJPAAOAYHIT-UHFFFAOYSA-N 1 0 412.519 3.871 20 5 HHBDRO Cc1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nn2)cc1[N+](=O)[O-] ZINC001164735932 720415977 /nfs/dbraw/zinc/41/59/77/720415977.db2.gz ZPGMQCQVMMYJGF-NHCUHLMSSA-N 1 0 416.485 3.608 20 5 HHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)CC[C@@H]21 ZINC001164835902 720538150 /nfs/dbraw/zinc/53/81/50/720538150.db2.gz IYPKDSYLWPHETR-UFYCRDLUSA-N 1 0 420.517 3.717 20 5 HHBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164793627 721491900 /nfs/dbraw/zinc/49/19/00/721491900.db2.gz UXINUJMDNSGCAB-UHFFFAOYSA-N 1 0 401.898 3.919 20 5 HHBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164910384 721549200 /nfs/dbraw/zinc/54/92/00/721549200.db2.gz UNMSGHPOPBDDEN-ICSRJNTNSA-N 1 0 408.433 3.624 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907057 721698599 /nfs/dbraw/zinc/69/85/99/721698599.db2.gz QTCBNQJZZPSKNJ-SFHVURJKSA-N 1 0 423.851 3.776 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC001165026033 721805111 /nfs/dbraw/zinc/80/51/11/721805111.db2.gz PWKNTLHAFFHEIA-ZWDAVXSWSA-N 1 0 418.501 3.670 20 5 HHBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[NH+](CCOc4ccccc4)CC3)ccc21 ZINC001165043780 721956978 /nfs/dbraw/zinc/95/69/78/721956978.db2.gz AVFOZAJRJSVEEP-UHFFFAOYSA-N 1 0 412.877 3.997 20 5 HHBDRO COc1c(C)cnc(C[NH+]2CCC(N(C)c3ccc(F)cc3[N+](=O)[O-])CC2)c1C ZINC000301166582 970783676 /nfs/dbraw/zinc/78/36/76/970783676.db2.gz CUBWMHKPVRTZBW-UHFFFAOYSA-N 1 0 402.470 3.855 20 5 HHBDRO O=[N+]([O-])c1cc(Br)ccc1Sc1nnc([C@@H]2CCC[NH2+]C2)n1C1CC1 ZINC000301265284 970842423 /nfs/dbraw/zinc/84/24/23/970842423.db2.gz FCVTXQSFALBJCZ-SNVBAGLBSA-N 1 0 424.324 3.902 20 5 HHBDRO O=[N+]([O-])c1cc(I)ccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000301335315 970874337 /nfs/dbraw/zinc/87/43/37/970874337.db2.gz BVOAHOPDNHMTLL-CQSZACIVSA-N 1 0 415.275 3.654 20 5 HHBDRO COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000301325849 970868952 /nfs/dbraw/zinc/86/89/52/970868952.db2.gz ARLWSDKXIRRBMR-GJZGRUSLSA-N 1 0 403.454 3.964 20 5 HHBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000301402444 970910426 /nfs/dbraw/zinc/91/04/26/970910426.db2.gz CYBCJLWKMGDZDS-ORAYPTAESA-N 1 0 420.491 3.860 20 5 HHBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000301525780 970967590 /nfs/dbraw/zinc/96/75/90/970967590.db2.gz HOADXAKCUILJJF-KDOFPFPSSA-N 1 0 414.462 3.769 20 5 HHBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000301556611 970978852 /nfs/dbraw/zinc/97/88/52/970978852.db2.gz HKQRRPKPAUNZJV-RDTXWAMCSA-N 1 0 414.462 3.626 20 5 HHBDRO COc1c(C)cnc(C[NH+]2CCC(N(C)c3ncc(Cl)cc3[N+](=O)[O-])CC2)c1C ZINC000301749300 971052447 /nfs/dbraw/zinc/05/24/47/971052447.db2.gz TVCSMSWOKLNPBT-UHFFFAOYSA-N 1 0 419.913 3.764 20 5 HHBDRO O=[N+]([O-])c1ccc(Br)cc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000301762318 971057112 /nfs/dbraw/zinc/05/71/12/971057112.db2.gz MOEREOPQCYWIFH-UHFFFAOYSA-N 1 0 420.307 3.926 20 5 HHBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000301873340 971094018 /nfs/dbraw/zinc/09/40/18/971094018.db2.gz DOZIKHSHEZKVEY-UHFFFAOYSA-N 1 0 406.284 3.500 20 5 HHBDRO CC1CC[NH+](Cc2ccc(CNc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])cc2)CC1 ZINC000301893792 971103125 /nfs/dbraw/zinc/10/31/25/971103125.db2.gz MUKHGAZUGTWLJL-UHFFFAOYSA-N 1 0 417.531 3.842 20 5 HHBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301898844 971104788 /nfs/dbraw/zinc/10/47/88/971104788.db2.gz XGNZYCDDRDPKII-BFUOFWGJSA-N 1 0 420.872 3.852 20 5 HHBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000301911310 971111669 /nfs/dbraw/zinc/11/16/69/971111669.db2.gz CGEGQIJSCRRFMN-UHFFFAOYSA-N 1 0 409.533 3.658 20 5 HHBDRO CNC(=O)c1ccc(NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000301901191 971106794 /nfs/dbraw/zinc/10/67/94/971106794.db2.gz ZWGLVNWDPHWOGE-AUUYWEPGSA-N 1 0 420.872 3.852 20 5 HHBDRO CC1CC[NH+](Cc2ccccc2CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301920628 971116134 /nfs/dbraw/zinc/11/61/34/971116134.db2.gz CZCYRWAMIUIFEX-UHFFFAOYSA-N 1 0 423.560 3.904 20 5 HHBDRO C[N@@H+]1CC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301967506 971136136 /nfs/dbraw/zinc/13/61/36/971136136.db2.gz OUKILRIDVKUJRS-KZULUSFZSA-N 1 0 404.833 3.535 20 5 HHBDRO CNC(=O)c1ccc(N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000302025027 971154608 /nfs/dbraw/zinc/15/46/08/971154608.db2.gz KDGBVDKIHJLTNI-AZUAARDMSA-N 1 0 418.444 3.869 20 5 HHBDRO O=[N+]([O-])c1cnc(N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)nc1 ZINC000302211809 971208786 /nfs/dbraw/zinc/20/87/86/971208786.db2.gz GZUVNJPHXJOOML-HXUWFJFHSA-N 1 0 409.877 3.950 20 5 HHBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000302881549 971370484 /nfs/dbraw/zinc/37/04/84/971370484.db2.gz JCCXOVAZPJGXPF-QGZVFWFLSA-N 1 0 420.307 3.926 20 5 HHBDRO CCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303167103 971539140 /nfs/dbraw/zinc/53/91/40/971539140.db2.gz WEABHSUPMWGFKY-IBGZPJMESA-N 1 0 421.501 3.988 20 5 HHBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000303175518 971542937 /nfs/dbraw/zinc/54/29/37/971542937.db2.gz SJCDXHOLSLLJNE-UHFFFAOYSA-N 1 0 410.396 3.521 20 5 HHBDRO Nc1c(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc(F)cc1[N+](=O)[O-] ZINC000303350926 971650600 /nfs/dbraw/zinc/65/06/00/971650600.db2.gz YGLRXBSTJVBPNH-UHFFFAOYSA-N 1 0 420.872 3.612 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1ccc(Br)cc1 ZINC000303353914 971652872 /nfs/dbraw/zinc/65/28/72/971652872.db2.gz YZTWDSBUSHPYHA-UHFFFAOYSA-N 1 0 406.280 3.860 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000303494564 971792461 /nfs/dbraw/zinc/79/24/61/971792461.db2.gz SWXYCUQKBAJEBE-GOSISDBHSA-N 1 0 413.449 3.835 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000303572099 971863970 /nfs/dbraw/zinc/86/39/70/971863970.db2.gz BUZVNJXYJBJQHK-QFBILLFUSA-N 1 0 405.539 3.759 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000303586503 971878533 /nfs/dbraw/zinc/87/85/33/971878533.db2.gz STMUPZAEKQAYLM-LSDHHAIUSA-N 1 0 415.943 3.523 20 5 HHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000303739260 971993078 /nfs/dbraw/zinc/99/30/78/971993078.db2.gz HVPMNXPNARCTJD-GDBMZVCRSA-N 1 0 419.445 3.628 20 5 HHBDRO CS(=O)(=O)c1ccc(NCc2ccc(C[NH+]3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000015117594 962664599 /nfs/dbraw/zinc/66/45/99/962664599.db2.gz ZJKIYXQAUCDSKV-UHFFFAOYSA-N 1 0 403.504 3.596 20 5 HHBDRO O=C(COC(=O)c1ccc(C[NH+]2CCCCC2)cc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000016402068 963033780 /nfs/dbraw/zinc/03/37/80/963033780.db2.gz TUDDRXXOZICIBW-UHFFFAOYSA-N 1 0 415.421 3.515 20 5 HHBDRO COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000017911487 963239986 /nfs/dbraw/zinc/23/99/86/963239986.db2.gz FMIMXOUNCQIXJN-IBGZPJMESA-N 1 0 403.866 3.824 20 5 HHBDRO CCc1ccc(CN2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)s1 ZINC000020542099 963388878 /nfs/dbraw/zinc/38/88/78/963388878.db2.gz BYKNUPAQNLYIEA-UHFFFAOYSA-N 1 0 404.492 3.577 20 5 HHBDRO C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+](C2CCC2)C1 ZINC000553526217 1013425329 /nfs/dbraw/zinc/42/53/29/1013425329.db2.gz UXXPCZXUNSWVNR-AWEZNQCLSA-N 1 0 400.504 3.665 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](Cc2cccc(Br)c2)C2CC2)c1 ZINC000026446956 964565587 /nfs/dbraw/zinc/56/55/87/964565587.db2.gz WKNSZVCPQJZXQZ-GOSISDBHSA-N 1 0 421.291 3.762 20 5 HHBDRO CC(C)CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC[NH+](C)CC1 ZINC000051469442 964582774 /nfs/dbraw/zinc/58/27/74/964582774.db2.gz OGISKRJIRBSOHK-UHFFFAOYSA-N 1 0 402.520 3.911 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000537941967 1013525559 /nfs/dbraw/zinc/52/55/59/1013525559.db2.gz KCYXMMKPNJPOBP-QGZVFWFLSA-N 1 0 417.531 3.680 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000052183396 964833965 /nfs/dbraw/zinc/83/39/65/964833965.db2.gz CJHZTKOJGUYWJM-INIZCTEOSA-N 1 0 417.531 3.985 20 5 HHBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027344097 964857372 /nfs/dbraw/zinc/85/73/72/964857372.db2.gz VCSHQDFERMWJOP-GOSISDBHSA-N 1 0 403.866 3.580 20 5 HHBDRO CC(C)NC(=O)c1ccc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000052467233 964915149 /nfs/dbraw/zinc/91/51/49/964915149.db2.gz WSXMSNOTNOUGAV-UHFFFAOYSA-N 1 0 414.481 3.949 20 5 HHBDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1[N+](=O)[O-] ZINC000053039021 965046539 /nfs/dbraw/zinc/04/65/39/965046539.db2.gz LEBMSICBBUNOTI-UHFFFAOYSA-N 1 0 419.865 3.813 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cccc1[N+](=O)[O-] ZINC000028351246 965083173 /nfs/dbraw/zinc/08/31/73/965083173.db2.gz FJEUBTXOFSVPSI-LSDHHAIUSA-N 1 0 410.474 3.930 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000053417394 965160728 /nfs/dbraw/zinc/16/07/28/965160728.db2.gz RXPWPEGPIUNUHW-OALUTQOASA-N 1 0 416.566 3.686 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542626811 1013562727 /nfs/dbraw/zinc/56/27/27/1013562727.db2.gz MCLCFGMICNXPPG-HKUYNNGSSA-N 1 0 401.438 3.833 20 5 HHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000537988547 1013563063 /nfs/dbraw/zinc/56/30/63/1013563063.db2.gz XSYASEPCOJBMIP-HOTGVXAUSA-N 1 0 405.520 3.517 20 5 HHBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 ZINC000054032328 965360587 /nfs/dbraw/zinc/36/05/87/965360587.db2.gz ONZIDKNRMBHNBZ-UHFFFAOYSA-N 1 0 407.474 3.552 20 5 HHBDRO CC[NH+]1CCC(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CC1 ZINC000029606082 965429407 /nfs/dbraw/zinc/42/94/07/965429407.db2.gz LDMFTMPSMVPHQG-UHFFFAOYSA-N 1 0 406.533 3.725 20 5 HHBDRO O=C(CN1CCC(C[NH+]2CCCCCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000058470735 965744508 /nfs/dbraw/zinc/74/45/08/965744508.db2.gz IAJVAJBQQVLCGO-UHFFFAOYSA-N 1 0 408.930 3.775 20 5 HHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000055086023 965750540 /nfs/dbraw/zinc/75/05/40/965750540.db2.gz DXIASUFQNVJLRG-IBGZPJMESA-N 1 0 400.479 3.945 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccsc1 ZINC000031419973 966011211 /nfs/dbraw/zinc/01/12/11/966011211.db2.gz JTPFQHUAAPMSOT-LJQANCHMSA-N 1 0 413.503 3.655 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000031527134 966042579 /nfs/dbraw/zinc/04/25/79/966042579.db2.gz PYDLTQXTTBSXAA-UHFFFAOYSA-N 1 0 411.502 3.974 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000060356218 966108418 /nfs/dbraw/zinc/10/84/18/966108418.db2.gz ZRKLNMPXGLEMIN-UHFFFAOYSA-N 1 0 419.503 3.795 20 5 HHBDRO COc1cc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c([N+](=O)[O-])cc1OC ZINC000056041867 966193310 /nfs/dbraw/zinc/19/33/10/966193310.db2.gz KKLJAIWXHJGCKR-UHFFFAOYSA-N 1 0 413.474 3.893 20 5 HHBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000060579591 966214647 /nfs/dbraw/zinc/21/46/47/966214647.db2.gz HIBCYESKXJQXQM-UHFFFAOYSA-N 1 0 400.523 3.533 20 5 HHBDRO COc1cc(C(=O)NC[C@@H](C)[NH+](C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000033093292 966368120 /nfs/dbraw/zinc/36/81/20/966368120.db2.gz PDTZMCYSUDQVMY-GFCCVEGCSA-N 1 0 407.854 3.729 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062231155 966628238 /nfs/dbraw/zinc/62/82/38/966628238.db2.gz RONZPSYVBACKNT-HXUWFJFHSA-N 1 0 410.518 3.815 20 5 HHBDRO Cc1ccccc1C1(C[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000062239995 966629210 /nfs/dbraw/zinc/62/92/10/966629210.db2.gz RZWIZTYVVNBPGN-GOSISDBHSA-N 1 0 411.502 3.877 20 5 HHBDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000063388488 966839183 /nfs/dbraw/zinc/83/91/83/966839183.db2.gz AKQZSHUKFLEPFR-UHFFFAOYSA-N 1 0 412.490 3.946 20 5 HHBDRO COc1cccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[NH+]2CCCC2)c1 ZINC000043126875 966911153 /nfs/dbraw/zinc/91/11/53/966911153.db2.gz NQVDBLRYJHHZHE-IBGZPJMESA-N 1 0 414.462 3.571 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000043127192 966911169 /nfs/dbraw/zinc/91/11/69/966911169.db2.gz OLUBHGIEDJXGRH-GOSISDBHSA-N 1 0 414.462 3.571 20 5 HHBDRO COc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000538128238 1013690755 /nfs/dbraw/zinc/69/07/55/1013690755.db2.gz IICFGWVIBDCBBO-LLVKDONJSA-N 1 0 408.252 3.655 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000538140346 1013701118 /nfs/dbraw/zinc/70/11/18/1013701118.db2.gz IEXOPUPGFWNQMT-UHFFFAOYSA-N 1 0 411.458 3.672 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000064716196 967274332 /nfs/dbraw/zinc/27/43/32/967274332.db2.gz ZGCLPWRJFQDYTG-CJNGLKHVSA-N 1 0 407.854 3.562 20 5 HHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000064751026 967282146 /nfs/dbraw/zinc/28/21/46/967282146.db2.gz WOVDJHSMFNUWPO-UHFFFAOYSA-N 1 0 421.501 3.767 20 5 HHBDRO CNC(=O)c1ccc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000064914157 967326413 /nfs/dbraw/zinc/32/64/13/967326413.db2.gz KVZCDGGFTFKBJE-LJQANCHMSA-N 1 0 402.882 3.857 20 5 HHBDRO CC1CC[NH+](CCCCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000065102115 967376626 /nfs/dbraw/zinc/37/66/26/967376626.db2.gz GLAVSSZWTUIINX-UHFFFAOYSA-N 1 0 402.520 3.960 20 5 HHBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000542871157 1013723693 /nfs/dbraw/zinc/72/36/93/1013723693.db2.gz OIOHCPKPRBLRNW-UHFFFAOYSA-N 1 0 405.401 3.544 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccs1 ZINC000047864581 968346138 /nfs/dbraw/zinc/34/61/38/968346138.db2.gz TUXZYQSKKMSVIR-LBPRGKRZSA-N 1 0 400.407 3.682 20 5 HHBDRO CC[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[N@@H+]1CCc2ccccc2C1 ZINC000065726000 968614717 /nfs/dbraw/zinc/61/47/17/968614717.db2.gz XZSGNYMIDPMRER-HXUWFJFHSA-N 1 0 406.486 3.503 20 5 HHBDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000538277665 1013816464 /nfs/dbraw/zinc/81/64/64/1013816464.db2.gz WSZYICAMTPWKBY-HNNXBMFYSA-N 1 0 407.474 3.995 20 5 HHBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000065936152 968723678 /nfs/dbraw/zinc/72/36/78/968723678.db2.gz MABYGEBEBKCMSQ-UHFFFAOYSA-N 1 0 420.307 3.870 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000071838578 968868962 /nfs/dbraw/zinc/86/89/62/968868962.db2.gz UICFCDSTZMJYTI-UHFFFAOYSA-N 1 0 412.490 3.525 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000072058200 968963874 /nfs/dbraw/zinc/96/38/74/968963874.db2.gz ZEFDKTPNTSVFSC-MRXNPFEDSA-N 1 0 414.481 3.675 20 5 HHBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000072068583 968969421 /nfs/dbraw/zinc/96/94/21/968969421.db2.gz SZOZCIDVBOVORR-UHFFFAOYSA-N 1 0 402.882 3.951 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000097548859 969157885 /nfs/dbraw/zinc/15/78/85/969157885.db2.gz SBFUNVNVVYPJGN-HNNXBMFYSA-N 1 0 407.492 3.731 20 5 HHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000105542674 969245640 /nfs/dbraw/zinc/24/56/40/969245640.db2.gz WQQCQFABCXKYBC-QGZVFWFLSA-N 1 0 407.474 3.914 20 5 HHBDRO O=[N+]([O-])c1cc(Br)ccc1NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000105789158 969263511 /nfs/dbraw/zinc/26/35/11/969263511.db2.gz QFYZJEGUNCXVSS-SFHVURJKSA-N 1 0 406.280 3.843 20 5 HHBDRO CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000106020911 969281477 /nfs/dbraw/zinc/28/14/77/969281477.db2.gz TYHBTJGLBASLLA-FQEVSTJZSA-N 1 0 422.529 3.762 20 5 HHBDRO C[C@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000108968910 969442032 /nfs/dbraw/zinc/44/20/32/969442032.db2.gz VXOICICSXRWEJA-KRWDZBQOSA-N 1 0 423.517 3.566 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000109847381 969577115 /nfs/dbraw/zinc/57/71/15/969577115.db2.gz XKFBPJRYUGLRPP-INIZCTEOSA-N 1 0 414.481 3.675 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)C3)cc2[N+](=O)[O-])n1 ZINC000110788670 969724199 /nfs/dbraw/zinc/72/41/99/969724199.db2.gz PGLWBPLNMZFXPA-CQSZACIVSA-N 1 0 406.533 3.677 20 5 HHBDRO CC(C)C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H](O)c1ccc(F)cc1 ZINC000112655967 969821737 /nfs/dbraw/zinc/82/17/37/969821737.db2.gz FGSYIVSUWXNEHR-LJQANCHMSA-N 1 0 414.437 3.976 20 5 HHBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)cc2)CC1 ZINC000195672814 969946332 /nfs/dbraw/zinc/94/63/32/969946332.db2.gz BZJVDAWNANRZJT-UHFFFAOYSA-N 1 0 414.531 3.707 20 5 HHBDRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000554372749 1013924667 /nfs/dbraw/zinc/92/46/67/1013924667.db2.gz UFQRSMNLFXVMEE-SJORKVTESA-N 1 0 413.440 3.839 20 5 HHBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000138939040 970015850 /nfs/dbraw/zinc/01/58/50/970015850.db2.gz SCMITXYOJKTBIO-UHFFFAOYSA-N 1 0 414.531 3.893 20 5 HHBDRO CC(C)NC(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236635152 970149792 /nfs/dbraw/zinc/14/97/92/970149792.db2.gz DIYOTGKLGDKEOY-UHFFFAOYSA-N 1 0 410.268 3.622 20 5 HHBDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000236718167 970162591 /nfs/dbraw/zinc/16/25/91/970162591.db2.gz WURRLTODEVHBDT-UHFFFAOYSA-N 1 0 419.547 3.836 20 5 HHBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000237006615 970206211 /nfs/dbraw/zinc/20/62/11/970206211.db2.gz DXRLNAKLAUCWII-OAHLLOKOSA-N 1 0 408.545 3.967 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237200148 970240469 /nfs/dbraw/zinc/24/04/69/970240469.db2.gz KXBXDEUTHFKUKH-WBVHZDCISA-N 1 0 406.401 3.838 20 5 HHBDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237203856 970240575 /nfs/dbraw/zinc/24/05/75/970240575.db2.gz QLIOZVBVPZYGJP-PXNSSMCTSA-N 1 0 400.475 3.823 20 5 HHBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237398576 970277881 /nfs/dbraw/zinc/27/78/81/970277881.db2.gz XIOSABDSJFVACU-VGOFRKELSA-N 1 0 422.485 3.731 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCN(CC(F)(F)F)C3)o2)c([N+](=O)[O-])c1 ZINC000237429398 970284739 /nfs/dbraw/zinc/28/47/39/970284739.db2.gz XEAWWYKPJVOXTH-ZDUSSCGKSA-N 1 0 413.396 3.837 20 5 HHBDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000237436442 970285847 /nfs/dbraw/zinc/28/58/47/970285847.db2.gz KHVQEVGPBVDZHF-LLVKDONJSA-N 1 0 416.858 3.702 20 5 HHBDRO COc1cc(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237440722 970289344 /nfs/dbraw/zinc/28/93/44/970289344.db2.gz ZBNVLQPMFIZVEU-APWZRJJASA-N 1 0 411.502 3.897 20 5 HHBDRO COc1ccc(C(=O)NCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000237448627 970290887 /nfs/dbraw/zinc/29/08/87/970290887.db2.gz LMGAMTCGRDAYRY-UHFFFAOYSA-N 1 0 411.483 3.852 20 5 HHBDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cn1 ZINC000237477495 970295085 /nfs/dbraw/zinc/29/50/85/970295085.db2.gz ZBAQUBNTYJUMKZ-UHFFFAOYSA-N 1 0 409.442 3.876 20 5 HHBDRO COc1cccc(N2CC[C@H](C[NH2+]Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000237518964 970307077 /nfs/dbraw/zinc/30/70/77/970307077.db2.gz LGGDTOZSQYQARY-QGZVFWFLSA-N 1 0 421.501 3.620 20 5 HHBDRO O=C(NCCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(F)c1 ZINC000237729623 970348376 /nfs/dbraw/zinc/34/83/76/970348376.db2.gz ODBGIRHHINDSJO-UHFFFAOYSA-N 1 0 414.462 3.767 20 5 HHBDRO O=C(CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCc2ccccc21 ZINC000237818763 970374756 /nfs/dbraw/zinc/37/47/56/970374756.db2.gz HMQXSERCPVPGDL-UHFFFAOYSA-N 1 0 405.401 3.655 20 5 HHBDRO O=c1ccccn1Cc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000237824909 970375265 /nfs/dbraw/zinc/37/52/65/970375265.db2.gz JGLUUHWOYWHIKK-UHFFFAOYSA-N 1 0 415.396 3.696 20 5 HHBDRO Cc1ccc(Sc2ccc(CNCCC[NH+]3CCC(O)CC3)cc2[N+](=O)[O-])cc1 ZINC000237872082 970385701 /nfs/dbraw/zinc/38/57/01/970385701.db2.gz YWHDSRVXQGCFDX-UHFFFAOYSA-N 1 0 415.559 3.991 20 5 HHBDRO COc1cc(OCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000149248775 970388200 /nfs/dbraw/zinc/38/82/00/970388200.db2.gz QSYLVRLGNWMOCY-INIZCTEOSA-N 1 0 413.474 3.995 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)COc3ccc(F)cc3)s2)cc1 ZINC000237964460 970406066 /nfs/dbraw/zinc/40/60/66/970406066.db2.gz QRCOIABPFHQWOB-QGZVFWFLSA-N 1 0 402.447 3.992 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000237962579 970406186 /nfs/dbraw/zinc/40/61/86/970406186.db2.gz IKKBNBLDKNNWCC-QGZVFWFLSA-N 1 0 405.882 3.587 20 5 HHBDRO O=[N+]([O-])c1cc(CNC[C@H](O)C[NH+]2CCCC2)ccc1Oc1ccccc1Cl ZINC000238063728 970432166 /nfs/dbraw/zinc/43/21/66/970432166.db2.gz IIUSQHICAUKHKW-INIZCTEOSA-N 1 0 405.882 3.587 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)COc3ccc(F)cc3)s2)cc1 ZINC000238064835 970432729 /nfs/dbraw/zinc/43/27/29/970432729.db2.gz QRCOIABPFHQWOB-KRWDZBQOSA-N 1 0 402.447 3.992 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cccc1[N+](=O)[O-] ZINC000150203992 970433614 /nfs/dbraw/zinc/43/36/14/970433614.db2.gz KMHXNMYHUNCZRR-INIZCTEOSA-N 1 0 408.462 3.506 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c(C)c2)CC1 ZINC000247995286 970496514 /nfs/dbraw/zinc/49/65/14/970496514.db2.gz PJTHUJKKICJFHY-UHFFFAOYSA-N 1 0 402.882 3.951 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000195533882 970496560 /nfs/dbraw/zinc/49/65/60/970496560.db2.gz GPRZBUOZUQTYFA-SFHVURJKSA-N 1 0 401.532 4.000 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000261465644 970703034 /nfs/dbraw/zinc/70/30/34/970703034.db2.gz YDYZLOUJSWPCRH-UHFFFAOYSA-N 1 0 401.438 3.666 20 5 HHBDRO COc1ccc([C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000301078504 970737215 /nfs/dbraw/zinc/73/72/15/970737215.db2.gz RKBGQLPBVZDICI-OAQYLSRUSA-N 1 0 423.473 3.891 20 5 HHBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1Br ZINC000311265283 972626820 /nfs/dbraw/zinc/62/68/20/972626820.db2.gz OJQSYYGFYBDKGQ-UHFFFAOYSA-N 1 0 418.291 3.752 20 5 HHBDRO O=[N+]([O-])c1cc(Br)cnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311984092 972629116 /nfs/dbraw/zinc/62/91/16/972629116.db2.gz OVWSEWMRNMBVCD-CVEARBPZSA-N 1 0 417.307 3.711 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000554843828 1014071790 /nfs/dbraw/zinc/07/17/90/1014071790.db2.gz OEVPAEFPOLKUJY-DYESRHJHSA-N 1 0 411.506 3.747 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000554846269 1014072802 /nfs/dbraw/zinc/07/28/02/1014072802.db2.gz QBNIKNWWSVKAIK-MRXNPFEDSA-N 1 0 415.412 3.987 20 5 HHBDRO COc1ccc(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000410049630 973532716 /nfs/dbraw/zinc/53/27/16/973532716.db2.gz OVSZCXSCJLEYIW-OAQYLSRUSA-N 1 0 411.502 3.806 20 5 HHBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000410132436 973619906 /nfs/dbraw/zinc/61/99/06/973619906.db2.gz CONVKQDGJNIQNG-IBGZPJMESA-N 1 0 402.882 3.885 20 5 HHBDRO COC(=O)c1ccc(-c2ccc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)o2)cc1 ZINC000425969621 974073596 /nfs/dbraw/zinc/07/35/96/974073596.db2.gz ZHCAJAGPQROGNG-UHFFFAOYSA-N 1 0 410.430 3.675 20 5 HHBDRO COc1ccc(-c2ccc(C[NH+]3CCC(Oc4cnccn4)CC3)o2)c([N+](=O)[O-])c1 ZINC000426001801 974117455 /nfs/dbraw/zinc/11/74/55/974117455.db2.gz ZBWQCCDDGFADNA-UHFFFAOYSA-N 1 0 410.430 3.697 20 5 HHBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000426011065 974129252 /nfs/dbraw/zinc/12/92/52/974129252.db2.gz RVPUGQREAFJVDF-MRXNPFEDSA-N 1 0 414.428 3.677 20 5 HHBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000426706875 974607840 /nfs/dbraw/zinc/60/78/40/974607840.db2.gz XUFGXTKXFHDRFQ-FQEVSTJZSA-N 1 0 423.513 3.978 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1OC)[NH+]1CCCCC1 ZINC000426840736 974703846 /nfs/dbraw/zinc/70/38/46/974703846.db2.gz RDALPEXXPSWRGJ-LJQANCHMSA-N 1 0 413.474 3.569 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1OC)[NH+]1CCCCC1 ZINC000426840735 974703934 /nfs/dbraw/zinc/70/39/34/974703934.db2.gz RDALPEXXPSWRGJ-IBGZPJMESA-N 1 0 413.474 3.569 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000426918113 974752473 /nfs/dbraw/zinc/75/24/73/974752473.db2.gz YCQMNDIDNARLFL-UHFFFAOYSA-N 1 0 417.893 3.899 20 5 HHBDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000427327199 975054442 /nfs/dbraw/zinc/05/44/42/975054442.db2.gz CHBQNXNPUMJMND-GASCZTMLSA-N 1 0 409.914 3.600 20 5 HHBDRO Cc1cc(S(=O)(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)ccc1[N+](=O)[O-] ZINC000427637558 975219545 /nfs/dbraw/zinc/21/95/45/975219545.db2.gz PTLCGAVBWVPTBH-UHFFFAOYSA-N 1 0 424.482 3.662 20 5 HHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427918220 975349251 /nfs/dbraw/zinc/34/92/51/975349251.db2.gz XVCJYAUJWGDNJH-UHFFFAOYSA-N 1 0 422.485 3.680 20 5 HHBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000428719258 976008559 /nfs/dbraw/zinc/00/85/59/976008559.db2.gz IAJFLAZSSIFJRR-OCCSQVGLSA-N 1 0 417.453 3.648 20 5 HHBDRO Cc1cc(CC(C)(C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])ccc1Br ZINC000429245172 976534462 /nfs/dbraw/zinc/53/44/62/976534462.db2.gz AXMIEFOFACZKTE-UHFFFAOYSA-N 1 0 420.307 3.876 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429253041 976541252 /nfs/dbraw/zinc/54/12/52/976541252.db2.gz JMXLOFJAAZSAOK-MRXNPFEDSA-N 1 0 400.454 3.582 20 5 HHBDRO C[C@@H]([NH2+][C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000429311207 976582416 /nfs/dbraw/zinc/58/24/16/976582416.db2.gz YJJGTPGTWABZSE-IUODEOHRSA-N 1 0 424.482 3.508 20 5 HHBDRO COc1cc(CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000429360698 976628659 /nfs/dbraw/zinc/62/86/59/976628659.db2.gz BJOFZFQIEZJRKE-AWEZNQCLSA-N 1 0 413.465 3.554 20 5 HHBDRO CCc1ccc([C@@H]([NH2+]C2CCN(c3cccnn3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000429441443 976720011 /nfs/dbraw/zinc/72/00/11/976720011.db2.gz JNIVGWARQATWMX-QFIPXVFZSA-N 1 0 407.474 3.888 20 5 HHBDRO Cc1noc(C[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000429472508 976738154 /nfs/dbraw/zinc/73/81/54/976738154.db2.gz PMIYNMDVWWGPPT-KUHUBIRLSA-N 1 0 409.446 3.577 20 5 HHBDRO CC(C)(C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1[N+](=O)[O-] ZINC000429808033 977082209 /nfs/dbraw/zinc/08/22/09/977082209.db2.gz JZDXFMVZFFMUNF-MRXNPFEDSA-N 1 0 401.532 3.962 20 5 HHBDRO CC(C)(C(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429815002 977088772 /nfs/dbraw/zinc/08/87/72/977088772.db2.gz OLWKVSDGFZNOAU-UHFFFAOYSA-N 1 0 401.532 3.962 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000429866100 977138886 /nfs/dbraw/zinc/13/88/86/977138886.db2.gz IFDMGVKBRGWPOL-UHFFFAOYSA-N 1 0 424.545 3.509 20 5 HHBDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000430088640 977314561 /nfs/dbraw/zinc/31/45/61/977314561.db2.gz XHENWLOJFIXNON-NQIIRXRSSA-N 1 0 414.458 3.645 20 5 HHBDRO CC(=O)N1CCC([N@H+](C/C=C\c2ccccc2[N+](=O)[O-])Cc2cncs2)CC1 ZINC000430191266 977382733 /nfs/dbraw/zinc/38/27/33/977382733.db2.gz FUJOUPSLMMZUHO-XQRVVYSFSA-N 1 0 400.504 3.578 20 5 HHBDRO CN(C(=O)[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1)c1ccccc1 ZINC000430301583 977461374 /nfs/dbraw/zinc/46/13/74/977461374.db2.gz QBMUTVGZYXCTJX-SFHVURJKSA-N 1 0 420.469 3.777 20 5 HHBDRO C[C@@H](CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000430632237 977662001 /nfs/dbraw/zinc/66/20/01/977662001.db2.gz WYKBOUQDUPLFEG-AWEZNQCLSA-N 1 0 420.307 3.998 20 5 HHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000430830303 977785289 /nfs/dbraw/zinc/78/52/89/977785289.db2.gz MMWGSXKSKYLPAC-HOCLYGCPSA-N 1 0 409.552 3.956 20 5 HHBDRO Cc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000431143522 978046099 /nfs/dbraw/zinc/04/60/99/978046099.db2.gz KSDPQLFMBPRWSM-UHFFFAOYSA-N 1 0 414.510 3.809 20 5 HHBDRO CCOC(=O)c1ccnc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1[N+](=O)[O-] ZINC000431472223 978319531 /nfs/dbraw/zinc/31/95/31/978319531.db2.gz NVACAAYDKPIRJB-UHFFFAOYSA-N 1 0 424.501 3.659 20 5 HHBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431917393 978599569 /nfs/dbraw/zinc/59/95/69/978599569.db2.gz WIOJODLSYIFRPS-UHFFFAOYSA-N 1 0 422.529 3.835 20 5 HHBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)CC1 ZINC000431932876 978608164 /nfs/dbraw/zinc/60/81/64/978608164.db2.gz BJXGTHFTLSXXNW-HNNXBMFYSA-N 1 0 424.339 3.941 20 5 HHBDRO Cn1ccnc1C(=O)c1ccc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000432943599 979018276 /nfs/dbraw/zinc/01/82/76/979018276.db2.gz IPEPKPHHCLJSFR-SFHVURJKSA-N 1 0 421.457 3.688 20 5 HHBDRO COc1ccccc1-c1noc(C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000433176224 979120077 /nfs/dbraw/zinc/12/00/77/979120077.db2.gz PZMREXXHQFBIOF-UHFFFAOYSA-N 1 0 424.457 3.912 20 5 HHBDRO COc1cc(C[NH2+]CC2(CO)CC3(CCC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000433203481 979139059 /nfs/dbraw/zinc/13/90/59/979139059.db2.gz BRQWRVQRFUWFAS-UHFFFAOYSA-N 1 0 418.412 3.577 20 5 HHBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000433851189 979626205 /nfs/dbraw/zinc/62/62/05/979626205.db2.gz AGQDVVTWKQSDJC-CQSZACIVSA-N 1 0 405.524 3.706 20 5 HHBDRO CC(C)C[C@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000433920515 979681121 /nfs/dbraw/zinc/68/11/21/979681121.db2.gz FNHIJOSQFZAFQM-NVXWUHKLSA-N 1 0 401.511 3.937 20 5 HHBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434177150 979941842 /nfs/dbraw/zinc/94/18/42/979941842.db2.gz KXLIDLWUGSMNJK-UHFFFAOYSA-N 1 0 417.893 3.928 20 5 HHBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434181238 979946527 /nfs/dbraw/zinc/94/65/27/979946527.db2.gz GKNYNEISSNDGQZ-UHFFFAOYSA-N 1 0 403.508 3.551 20 5 HHBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434181814 979946588 /nfs/dbraw/zinc/94/65/88/979946588.db2.gz VEXABKSVSKTFIR-UHFFFAOYSA-N 1 0 403.508 3.551 20 5 HHBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000434357467 980113119 /nfs/dbraw/zinc/11/31/19/980113119.db2.gz LJJTXHBSWAVMHC-ZWKOTPCHSA-N 1 0 411.506 3.568 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H]2CCCCN2C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000434783749 980396935 /nfs/dbraw/zinc/39/69/35/980396935.db2.gz HXOJZBDHZKBQCK-HNNXBMFYSA-N 1 0 417.428 3.651 20 5 HHBDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000434988364 980551866 /nfs/dbraw/zinc/55/18/66/980551866.db2.gz RKMQFKVSHVIVSS-KRWDZBQOSA-N 1 0 401.438 3.874 20 5 HHBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435267668 980750479 /nfs/dbraw/zinc/75/04/79/980750479.db2.gz NDKMLHSRIXGNDL-GOSISDBHSA-N 1 0 420.473 3.502 20 5 HHBDRO Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435288489 980761384 /nfs/dbraw/zinc/76/13/84/980761384.db2.gz KKDCMRCGNPGOGZ-NRFANRHFSA-N 1 0 419.485 3.728 20 5 HHBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435289339 980761728 /nfs/dbraw/zinc/76/17/28/980761728.db2.gz NOPWXPOGJONSSK-MRXNPFEDSA-N 1 0 411.487 3.861 20 5 HHBDRO Cc1cc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000435367758 980816048 /nfs/dbraw/zinc/81/60/48/980816048.db2.gz ZWHGLDMXPFEVFF-LJQANCHMSA-N 1 0 405.458 3.799 20 5 HHBDRO Cc1cc(OCC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)ccc1[N+](=O)[O-] ZINC000435581312 980949551 /nfs/dbraw/zinc/94/95/51/980949551.db2.gz YBIRONAONXHFTG-CYBMUJFWSA-N 1 0 404.492 3.609 20 5 HHBDRO COc1cc(C[NH2+]CC2([S@@](C)=O)CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000435734734 981008842 /nfs/dbraw/zinc/00/88/42/981008842.db2.gz YEVXDMFVSCGVQD-GDLZYMKVSA-N 1 0 418.515 3.573 20 5 HHBDRO C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[N@@H+]1CCC[C@@H](C)C1 ZINC000436113455 981206409 /nfs/dbraw/zinc/20/64/09/981206409.db2.gz YYFXHKKLVPRHMF-KGLIPLIRSA-N 1 0 413.468 3.810 20 5 HHBDRO C[N@H+](CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)Cc1ccccc1 ZINC000436139777 981215946 /nfs/dbraw/zinc/21/59/46/981215946.db2.gz FSYBCNXNLVTUFZ-UHFFFAOYSA-N 1 0 421.447 3.821 20 5 HHBDRO C[C@@H]1C[N@@H+](CCC2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000436403569 981350532 /nfs/dbraw/zinc/35/05/32/981350532.db2.gz JAYBDKSFBFAPNH-OKILXGFUSA-N 1 0 416.444 3.724 20 5 HHBDRO O=C(c1ccccc1O)N1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000436824677 981577698 /nfs/dbraw/zinc/57/76/98/981577698.db2.gz AHMAYMOJDHMUQH-FQEVSTJZSA-N 1 0 409.486 3.516 20 5 HHBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448206570 981619464 /nfs/dbraw/zinc/61/94/64/981619464.db2.gz VKAYWGFRLUSYPD-KXBFYZLASA-N 1 0 412.515 3.807 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437239630 981896866 /nfs/dbraw/zinc/89/68/66/981896866.db2.gz XMCKMVYOBRJVJS-MRXNPFEDSA-N 1 0 421.419 3.908 20 5 HHBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460190944 981964888 /nfs/dbraw/zinc/96/48/88/981964888.db2.gz HDIABSNVCVBSMB-HXUWFJFHSA-N 1 0 406.490 3.584 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](CC[C@H]3CCOC3)CC2)s1 ZINC000437592075 982216507 /nfs/dbraw/zinc/21/65/07/982216507.db2.gz QBDGFERXJJBZOY-KRWDZBQOSA-N 1 0 401.532 3.868 20 5 HHBDRO CCOc1cc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1OCC ZINC000437615425 982235699 /nfs/dbraw/zinc/23/56/99/982235699.db2.gz RIVPEJCGSNPCMS-OAHLLOKOSA-N 1 0 408.499 3.730 20 5 HHBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(C)C)C[C@@H]1C ZINC000460602853 982383742 /nfs/dbraw/zinc/38/37/42/982383742.db2.gz DIAATURWRRLLFG-LPHOPBHVSA-N 1 0 400.527 3.818 20 5 HHBDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)[C@@H](C)C1 ZINC000460613534 982392413 /nfs/dbraw/zinc/39/24/13/982392413.db2.gz LCAXPFAIQPXWSM-QFBILLFUSA-N 1 0 400.527 3.676 20 5 HHBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000437866676 982421631 /nfs/dbraw/zinc/42/16/31/982421631.db2.gz XWCADWORYSZOML-HXUWFJFHSA-N 1 0 414.550 3.725 20 5 HHBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000438057927 982559278 /nfs/dbraw/zinc/55/92/78/982559278.db2.gz VZJGVBBDNGNSSO-UHFFFAOYSA-N 1 0 411.384 3.719 20 5 HHBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461450493 983116231 /nfs/dbraw/zinc/11/62/31/983116231.db2.gz SSYKTKWQWMLEHB-HNNXBMFYSA-N 1 0 400.504 3.666 20 5 HHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000438951264 983174156 /nfs/dbraw/zinc/17/41/56/983174156.db2.gz JCNUFDLSSJOLSD-UHFFFAOYSA-N 1 0 404.854 3.677 20 5 HHBDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000439013906 983210344 /nfs/dbraw/zinc/21/03/44/983210344.db2.gz YTSIZZXJGSAGKA-FDPIWHGQSA-N 1 0 400.479 3.796 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000439103388 983250748 /nfs/dbraw/zinc/25/07/48/983250748.db2.gz WNCQCGLUALFCFN-HNNXBMFYSA-N 1 0 407.474 4.230 20 5 HHBDRO COCC[N@H+](C)CC[C@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000439105354 983251829 /nfs/dbraw/zinc/25/18/29/983251829.db2.gz CUTUEHXRDDMTNV-SFHVURJKSA-N 1 0 419.909 3.996 20 5 HHBDRO O=c1[nH]c(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000439108200 983253484 /nfs/dbraw/zinc/25/34/84/983253484.db2.gz RBHOORKZVQISRH-UHFFFAOYSA-N 1 0 413.865 3.609 20 5 HHBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000439229729 983320116 /nfs/dbraw/zinc/32/01/16/983320116.db2.gz BOQJAJDWZACUCD-UHFFFAOYSA-N 1 0 424.350 3.644 20 5 HHBDRO C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000439459961 983420220 /nfs/dbraw/zinc/42/02/20/983420220.db2.gz WYNRNNXHFPFFGD-SMDDNHRTSA-N 1 0 413.243 3.587 20 5 HHBDRO CC(C)C1CCC([NH+]2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)CC1 ZINC000440331306 983725304 /nfs/dbraw/zinc/72/53/04/983725304.db2.gz NKODPMLJSRSTLE-UHFFFAOYSA-N 1 0 413.522 3.977 20 5 HHBDRO O=C(c1ccc([N+](=O)[O-])o1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000440429434 983754332 /nfs/dbraw/zinc/75/43/32/983754332.db2.gz RYPCVVLMXPVSCI-HNNXBMFYSA-N 1 0 411.380 3.714 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000440910967 983967776 /nfs/dbraw/zinc/96/77/76/983967776.db2.gz FOTZJDLDQDXAFX-CABCVRRESA-N 1 0 411.458 3.751 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000440912832 983968743 /nfs/dbraw/zinc/96/87/43/983968743.db2.gz OWEAKGHTQXCCCK-VYDXJSESSA-N 1 0 409.490 3.518 20 5 HHBDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000441386814 984224110 /nfs/dbraw/zinc/22/41/10/984224110.db2.gz XBIIFVNFNOGIAZ-FCHUYYIVSA-N 1 0 419.485 3.545 20 5 HHBDRO COc1ccc(C[C@@H]2CCC[N@H+](CCOc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000441491596 984283793 /nfs/dbraw/zinc/28/37/93/984283793.db2.gz YIFXPZGRZJHKRW-SFHVURJKSA-N 1 0 400.475 3.946 20 5 HHBDRO Cc1cc(N2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Br ZINC000462378941 985362166 /nfs/dbraw/zinc/36/21/66/985362166.db2.gz FPYIOZKOQZSSFR-KRWDZBQOSA-N 1 0 404.264 3.561 20 5 HHBDRO O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000467990562 985637820 /nfs/dbraw/zinc/63/78/20/985637820.db2.gz NFPLQCLDHLPPLA-UHFFFAOYSA-N 1 0 412.490 3.824 20 5 HHBDRO O=C1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1CCOc1ccccc1 ZINC000462727022 985673724 /nfs/dbraw/zinc/67/37/24/985673724.db2.gz VOFIHSASCIMMMF-GOSISDBHSA-N 1 0 421.453 3.624 20 5 HHBDRO CNc1c(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000462775326 985711606 /nfs/dbraw/zinc/71/16/06/985711606.db2.gz GIHIMTFPZCSNNX-BFUOFWGJSA-N 1 0 420.872 3.852 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000462819417 985745167 /nfs/dbraw/zinc/74/51/67/985745167.db2.gz MJEZTYWZEFTCPA-CVEARBPZSA-N 1 0 400.454 3.567 20 5 HHBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(C)(C)C)cc1 ZINC000462846289 985770585 /nfs/dbraw/zinc/77/05/85/985770585.db2.gz AKTBKWBSLCBAPT-OAHLLOKOSA-N 1 0 406.504 3.897 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N2CCC(CCC[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000443603466 985780967 /nfs/dbraw/zinc/78/09/67/985780967.db2.gz MRZYLENXZTWLFI-SFHVURJKSA-N 1 0 402.539 3.818 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC(CCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000443603919 985781274 /nfs/dbraw/zinc/78/12/74/985781274.db2.gz MYZOLHHUWZXPRT-QGZVFWFLSA-N 1 0 418.538 3.518 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443660261 985859677 /nfs/dbraw/zinc/85/96/77/985859677.db2.gz QNTGWVKARKZVOO-HNNXBMFYSA-N 1 0 417.849 3.700 20 5 HHBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000462926183 985860849 /nfs/dbraw/zinc/86/08/49/985860849.db2.gz CZABSIBYGZYHOR-HNNXBMFYSA-N 1 0 406.433 3.819 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000443661218 985861757 /nfs/dbraw/zinc/86/17/57/985861757.db2.gz SBQYZMNILWUWAR-OAHLLOKOSA-N 1 0 419.865 3.739 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000462996398 985946048 /nfs/dbraw/zinc/94/60/48/985946048.db2.gz YPLKUUDPVAFBPR-FGZHOGPDSA-N 1 0 409.530 3.844 20 5 HHBDRO CC(C)C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccccc1 ZINC000443758574 985971077 /nfs/dbraw/zinc/97/10/77/985971077.db2.gz MOZOPGMDNOJKGR-YLJYHZDGSA-N 1 0 419.547 3.780 20 5 HHBDRO Cn1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463030127 985989736 /nfs/dbraw/zinc/98/97/36/985989736.db2.gz HBLAPGXDCAHBKG-DEOSSOPVSA-N 1 0 420.513 3.813 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@](CO)(c4ccccc4)C3)o2)c([N+](=O)[O-])c1 ZINC000463035311 985994949 /nfs/dbraw/zinc/99/49/49/985994949.db2.gz GUMQOAPODZYYOJ-HSZRJFAPSA-N 1 0 408.454 3.999 20 5 HHBDRO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000463059242 986017054 /nfs/dbraw/zinc/01/70/54/986017054.db2.gz ORMVKJJVOOCLAD-JTSKRJEESA-N 1 0 405.502 3.605 20 5 HHBDRO COc1ccc([C@H](C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 ZINC000468390368 986090632 /nfs/dbraw/zinc/09/06/32/986090632.db2.gz VEBXJZOPCFGHNI-JPYJTQIMSA-N 1 0 413.518 3.588 20 5 HHBDRO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000463203139 986174830 /nfs/dbraw/zinc/17/48/30/986174830.db2.gz JUXALAOTDSWJSO-GRVMKYMCSA-N 1 0 419.522 3.584 20 5 HHBDRO C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C(C)(C)C[NH+](C)C ZINC000444087783 986288079 /nfs/dbraw/zinc/28/80/79/986288079.db2.gz LOZPMYRPVCSOHY-LBPRGKRZSA-N 1 0 401.457 3.666 20 5 HHBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444127660 986321453 /nfs/dbraw/zinc/32/14/53/986321453.db2.gz WQHLAOXUSBSUBO-AWEZNQCLSA-N 1 0 413.468 3.763 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000468653580 986365628 /nfs/dbraw/zinc/36/56/28/986365628.db2.gz PPJRZUUDHXFSOQ-JXAWBTAJSA-N 1 0 408.502 3.691 20 5 HHBDRO COc1ccc(NC(=O)C[N@H+](C[C@H]2CCCO2)C2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000444189806 986367774 /nfs/dbraw/zinc/36/77/74/986367774.db2.gz GLUWJGKUOBHGOB-LEOMRAHMSA-N 1 0 405.495 3.602 20 5 HHBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)CC[C@H]21 ZINC000444231517 986418863 /nfs/dbraw/zinc/41/88/63/986418863.db2.gz GBRRRFIFYHBHJJ-ZUOKHONESA-N 1 0 411.452 3.516 20 5 HHBDRO CCc1n[nH]c(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000444370033 986546278 /nfs/dbraw/zinc/54/62/78/986546278.db2.gz WCXQFPVRSLYQSG-SFHVURJKSA-N 1 0 421.448 3.504 20 5 HHBDRO CCc1n[nH]c(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000444370032 986546676 /nfs/dbraw/zinc/54/66/76/986546676.db2.gz WCXQFPVRSLYQSG-GOSISDBHSA-N 1 0 421.448 3.504 20 5 HHBDRO CC(C)CCSc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000444560069 986753546 /nfs/dbraw/zinc/75/35/46/986753546.db2.gz YSLDFDMREJKHRX-INIZCTEOSA-N 1 0 423.579 3.650 20 5 HHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000469160958 986885025 /nfs/dbraw/zinc/88/50/25/986885025.db2.gz YXWBDJZHHLNUOW-YWZLYKJASA-N 1 0 417.456 3.975 20 5 HHBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000469502811 987180150 /nfs/dbraw/zinc/18/01/50/987180150.db2.gz DGHPJDRIATXDTG-QFIPXVFZSA-N 1 0 408.502 3.891 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c([N+](=O)[O-])cc1O ZINC000469557439 987227955 /nfs/dbraw/zinc/22/79/55/987227955.db2.gz XPXKORMTXHUFRJ-INIZCTEOSA-N 1 0 413.396 3.720 20 5 HHBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H](C)[NH+]3CCC(Cc4ccccc4)CC3)n2)n1C ZINC000445620524 987691793 /nfs/dbraw/zinc/69/17/93/987691793.db2.gz OBVBEHIWNMFCNY-CQSZACIVSA-N 1 0 410.478 3.702 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCCCC[NH+]1CCCCC1 ZINC000445784680 987847710 /nfs/dbraw/zinc/84/77/10/987847710.db2.gz UESVLCIWOKBYFJ-UHFFFAOYSA-N 1 0 412.328 3.672 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000445838492 987909873 /nfs/dbraw/zinc/90/98/73/987909873.db2.gz XUBZGRXOYDYMQV-KRWDZBQOSA-N 1 0 412.328 3.527 20 5 HHBDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000470117341 988019527 /nfs/dbraw/zinc/01/95/27/988019527.db2.gz ZEPUGWDLURGAIK-VQTJNVASSA-N 1 0 414.437 3.842 20 5 HHBDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000470117339 988019679 /nfs/dbraw/zinc/01/96/79/988019679.db2.gz ZEPUGWDLURGAIK-PMACEKPBSA-N 1 0 414.437 3.842 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000470145525 988053069 /nfs/dbraw/zinc/05/30/69/988053069.db2.gz WBDPKQKOTHROME-GASCZTMLSA-N 1 0 416.453 3.665 20 5 HHBDRO C[C@H]1C[C@@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000464061302 988183276 /nfs/dbraw/zinc/18/32/76/988183276.db2.gz HOPXTBJKSMRGBJ-ICSRJNTNSA-N 1 0 410.518 3.543 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000470273824 988226498 /nfs/dbraw/zinc/22/64/98/988226498.db2.gz HXIYKSZRLYZLRP-SFHVURJKSA-N 1 0 424.423 3.758 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000470599972 988616702 /nfs/dbraw/zinc/61/67/02/988616702.db2.gz GYEDFKUCOHXYTJ-MRXNPFEDSA-N 1 0 421.379 3.523 20 5 HHBDRO COc1cc(CN(C)[C@@H](CO)c2cccc(Br)c2)c([N+](=O)[O-])cc1F ZINC000464687515 988894102 /nfs/dbraw/zinc/89/41/02/988894102.db2.gz FJJIQORHBDMLPS-INIZCTEOSA-N 1 0 413.243 3.670 20 5 HHBDRO CC(C)NC(=O)c1ccc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000470872651 988941057 /nfs/dbraw/zinc/94/10/57/988941057.db2.gz KMTYZWVDLLTLFK-FQEVSTJZSA-N 1 0 410.518 3.834 20 5 HHBDRO Cc1c(NC(=O)CCN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000464829391 989068463 /nfs/dbraw/zinc/06/84/63/989068463.db2.gz IXPJBVMMSSJWNI-SFHVURJKSA-N 1 0 410.518 3.828 20 5 HHBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464842608 989089514 /nfs/dbraw/zinc/08/95/14/989089514.db2.gz JITBDUHUYVFROU-KRWDZBQOSA-N 1 0 416.909 3.641 20 5 HHBDRO Cc1ccc([C@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c2ccccn2)cc1 ZINC000471081029 989175747 /nfs/dbraw/zinc/17/57/47/989175747.db2.gz ZTBVSDVELCMKDI-QFIPXVFZSA-N 1 0 418.453 3.975 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000471194586 989331185 /nfs/dbraw/zinc/33/11/85/989331185.db2.gz DWZAUJMBZYBXBC-HNNXBMFYSA-N 1 0 420.416 3.840 20 5 HHBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CCNc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000465191831 989530480 /nfs/dbraw/zinc/53/04/80/989530480.db2.gz GYPKUFINAITBJO-QGZVFWFLSA-N 1 0 412.490 3.756 20 5 HHBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000465193130 989532379 /nfs/dbraw/zinc/53/23/79/989532379.db2.gz DGSRVMAIRWSYCM-SFHVURJKSA-N 1 0 402.539 3.539 20 5 HHBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000465209167 989557941 /nfs/dbraw/zinc/55/79/41/989557941.db2.gz XENZAWUAPAVZIT-LJQANCHMSA-N 1 0 410.518 3.915 20 5 HHBDRO CCc1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)cc1[N+](=O)[O-] ZINC000471421948 989599842 /nfs/dbraw/zinc/59/98/42/989599842.db2.gz LGCOHEPMVMPZKE-HXUWFJFHSA-N 1 0 424.501 3.576 20 5 HHBDRO CC[NH+]1CCN(c2cccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c2)CC1 ZINC000471634614 989841839 /nfs/dbraw/zinc/84/18/39/989841839.db2.gz NFYXZRRMKUWHPQ-OAHLLOKOSA-N 1 0 400.454 3.618 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000465532065 989892319 /nfs/dbraw/zinc/89/23/19/989892319.db2.gz DAFPKHHUQSBECL-HDICACEKSA-N 1 0 418.538 3.516 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000465557248 989921314 /nfs/dbraw/zinc/92/13/14/989921314.db2.gz XTQVOSZTVTWCNX-SFHVURJKSA-N 1 0 410.518 3.869 20 5 HHBDRO COc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000465709874 990095431 /nfs/dbraw/zinc/09/54/31/990095431.db2.gz OSONCJIRKDHBGI-BEFAXECRSA-N 1 0 418.519 3.547 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000466081734 991258089 /nfs/dbraw/zinc/25/80/89/991258089.db2.gz UHTDTZAUQUPHII-VQIMIIECSA-N 1 0 402.520 3.581 20 5 HHBDRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000466306122 991560003 /nfs/dbraw/zinc/56/00/03/991560003.db2.gz ISILEUXZIVZIII-UHFFFAOYSA-N 1 0 414.437 3.801 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000466553838 991865671 /nfs/dbraw/zinc/86/56/71/991865671.db2.gz UFOVKUSVAQIKCF-UHFFFAOYSA-N 1 0 416.909 3.755 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000467407856 992713726 /nfs/dbraw/zinc/71/37/26/992713726.db2.gz OWPWXUCJVQLNBS-AWEZNQCLSA-N 1 0 411.911 3.576 20 5 HHBDRO C[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467858659 993090080 /nfs/dbraw/zinc/09/00/80/993090080.db2.gz KZWOFNDVFFZASU-ZDUSSCGKSA-N 1 0 406.280 3.828 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000467878285 993107491 /nfs/dbraw/zinc/10/74/91/993107491.db2.gz LNTMGIMSZBJKKV-AWEZNQCLSA-N 1 0 411.549 3.580 20 5 HHBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472106806 993158222 /nfs/dbraw/zinc/15/82/22/993158222.db2.gz VTVWRXDQKWIPMO-QGZVFWFLSA-N 1 0 416.909 3.612 20 5 HHBDRO Cc1c(CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cccc1[N+](=O)[O-] ZINC000472169668 993216242 /nfs/dbraw/zinc/21/62/42/993216242.db2.gz HGXRIOLPHGZQFB-UHFFFAOYSA-N 1 0 414.428 3.508 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000472302644 993315179 /nfs/dbraw/zinc/31/51/79/993315179.db2.gz WJICOXALYHFYMO-FQEVSTJZSA-N 1 0 408.502 3.791 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000472517978 993510664 /nfs/dbraw/zinc/51/06/64/993510664.db2.gz HBOZZDFYOJBZBP-IRXDYDNUSA-N 1 0 413.543 3.960 20 5 HHBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000472597181 993554140 /nfs/dbraw/zinc/55/41/40/993554140.db2.gz BJRKFKLBPHUTGI-FQEVSTJZSA-N 1 0 410.518 3.767 20 5 HHBDRO C[NH+]1CCN(CCC(C)(C)Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000472665024 993592797 /nfs/dbraw/zinc/59/27/97/993592797.db2.gz BCGPZYJYUTZVGT-UHFFFAOYSA-N 1 0 410.518 3.654 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000480822508 993699151 /nfs/dbraw/zinc/69/91/51/993699151.db2.gz UZMMMBODEYURBS-OAHLLOKOSA-N 1 0 409.552 3.574 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC000481179385 994009693 /nfs/dbraw/zinc/00/96/93/994009693.db2.gz IIDLVFRXDIVJAJ-WIYYLYMNSA-N 1 0 402.516 3.760 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)C1CC1 ZINC000481214000 994047377 /nfs/dbraw/zinc/04/73/77/994047377.db2.gz MPFQGCGVJUNPLK-GMAHTHKFSA-N 1 0 413.493 3.718 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000481387453 994217934 /nfs/dbraw/zinc/21/79/34/994217934.db2.gz BVBCCFVQLGQUNE-RBZFPXEDSA-N 1 0 421.881 3.951 20 5 HHBDRO COc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccc1[N+](=O)[O-] ZINC000473495714 994341229 /nfs/dbraw/zinc/34/12/29/994341229.db2.gz CIONVTZGZWBBRA-HSZRJFAPSA-N 1 0 409.486 3.732 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H](OC)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000481526165 994357818 /nfs/dbraw/zinc/35/78/18/994357818.db2.gz FJFLIYAYVYBCDC-RBZFPXEDSA-N 1 0 421.881 3.951 20 5 HHBDRO CSc1ccc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1[N+](=O)[O-] ZINC000473524633 994380467 /nfs/dbraw/zinc/38/04/67/994380467.db2.gz VFEUTEHPGBSUJZ-UHFFFAOYSA-N 1 0 417.453 3.852 20 5 HHBDRO CCOc1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000473537538 994396944 /nfs/dbraw/zinc/39/69/44/994396944.db2.gz BJLCCTPKSATGET-UHFFFAOYSA-N 1 0 405.495 3.529 20 5 HHBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000473539519 994398711 /nfs/dbraw/zinc/39/87/11/994398711.db2.gz KMJMSXYRMRATRO-UHFFFAOYSA-N 1 0 400.523 3.722 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)ccc1Oc1ccccc1Cl ZINC000481810953 994659913 /nfs/dbraw/zinc/65/99/13/994659913.db2.gz AZFKQJSCMOCACJ-HOTGVXAUSA-N 1 0 406.866 3.775 20 5 HHBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481868207 994730261 /nfs/dbraw/zinc/73/02/61/994730261.db2.gz ZXMGQARLKKWCMF-RBBKRZOGSA-N 1 0 422.529 3.910 20 5 HHBDRO CN(CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000481908963 994781031 /nfs/dbraw/zinc/78/10/31/994781031.db2.gz YCHKJHUQKFKQAD-LEWJYISDSA-N 1 0 422.529 3.544 20 5 HHBDRO C[N@@H+]1CCC[C@@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])CC[C@H]21 ZINC000481984973 994883043 /nfs/dbraw/zinc/88/30/43/994883043.db2.gz OLZIEVFSCPRUOT-MLGOLLRUSA-N 1 0 405.296 3.826 20 5 HHBDRO COc1cccc([C@H]2[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000482007036 994912494 /nfs/dbraw/zinc/91/24/94/994912494.db2.gz GHCFCUBVUSKEKM-UXHICEINSA-N 1 0 415.877 3.965 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000473941045 994915904 /nfs/dbraw/zinc/91/59/04/994915904.db2.gz BFMVMVHPHLZRJD-QZTJIDSGSA-N 1 0 410.518 3.593 20 5 HHBDRO CCC[C@H]([NH2+]Cc1ccccc1N1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482016707 994926740 /nfs/dbraw/zinc/92/67/40/994926740.db2.gz MLFKONCWBFCAKP-QFIPXVFZSA-N 1 0 410.518 3.894 20 5 HHBDRO COc1cccc([C@H]2[C@@H](NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC[N@@H+]2C2CC2)c1 ZINC000482017345 994926892 /nfs/dbraw/zinc/92/68/92/994926892.db2.gz VKHHMHRVQNVEBA-UNMCSNQZSA-N 1 0 420.469 3.793 20 5 HHBDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000474020217 995011131 /nfs/dbraw/zinc/01/11/31/995011131.db2.gz XFCLQWCIQSHUKI-NSHDSACASA-N 1 0 410.268 3.574 20 5 HHBDRO COc1cccc([C@H]2[C@@H](NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC[N@@H+]2C2CC2)c1 ZINC000482077531 995014056 /nfs/dbraw/zinc/01/40/56/995014056.db2.gz FRNUHDCIYMGVKN-UGKGYDQZSA-N 1 0 420.469 3.793 20 5 HHBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000474187074 995178056 /nfs/dbraw/zinc/17/80/56/995178056.db2.gz CGOAYOHWWVLGCU-HXUWFJFHSA-N 1 0 411.502 3.763 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000482207735 995190528 /nfs/dbraw/zinc/19/05/28/995190528.db2.gz IJDUBGOFAUUZSM-UHFFFAOYSA-N 1 0 411.502 3.704 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2ccc(F)cc2F)C(C)C)cc1[N+](=O)[O-] ZINC000474354234 995333819 /nfs/dbraw/zinc/33/38/19/995333819.db2.gz QUICFYYMIIYPDI-FQEVSTJZSA-N 1 0 408.401 3.912 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCSc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000474358556 995338829 /nfs/dbraw/zinc/33/88/29/995338829.db2.gz SPRIWTRCUNERJC-HNNXBMFYSA-N 1 0 406.435 3.612 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000475096900 995919992 /nfs/dbraw/zinc/91/99/92/995919992.db2.gz UKBCFAZVMDQZFM-NJRDZFTKSA-N 1 0 404.511 3.999 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000475122541 995936484 /nfs/dbraw/zinc/93/64/84/995936484.db2.gz VWYQSBQFULELAB-HNAYVOBHSA-N 1 0 414.458 3.738 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000483239338 996054674 /nfs/dbraw/zinc/05/46/74/996054674.db2.gz LWLJLCIMNHKDEF-HXUWFJFHSA-N 1 0 408.502 3.907 20 5 HHBDRO Cc1c(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000483365466 996128958 /nfs/dbraw/zinc/12/89/58/996128958.db2.gz OBUGCTPRSJVISH-RISCZKNCSA-N 1 0 411.300 3.756 20 5 HHBDRO CCOc1cc(N2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)ccc1[N+](=O)[O-] ZINC000475513877 996193656 /nfs/dbraw/zinc/19/36/56/996193656.db2.gz VKSASECTUBAEPN-UHFFFAOYSA-N 1 0 413.503 3.563 20 5 HHBDRO C[C@@H]1CCC[C@H]([N@H+](Cc2c([N+](=O)[O-])ncn2C)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000475524613 996201332 /nfs/dbraw/zinc/20/13/32/996201332.db2.gz ALWPWINLMBOWFM-VYDXJSESSA-N 1 0 400.479 3.884 20 5 HHBDRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)cc1 ZINC000475584015 996231475 /nfs/dbraw/zinc/23/14/75/996231475.db2.gz XNGKWHHOBZBJFT-LJQANCHMSA-N 1 0 414.458 3.882 20 5 HHBDRO COc1cc(CNC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475585481 996232661 /nfs/dbraw/zinc/23/26/61/996232661.db2.gz ROCTWBIJWYSWFE-UHFFFAOYSA-N 1 0 417.428 3.651 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000475690735 996303131 /nfs/dbraw/zinc/30/31/31/996303131.db2.gz FPDXSUTXDLRSGL-INIZCTEOSA-N 1 0 404.850 3.790 20 5 HHBDRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000484024326 996528077 /nfs/dbraw/zinc/52/80/77/996528077.db2.gz ULWNBWXLSNUPJU-UHFFFAOYSA-N 1 0 412.490 3.788 20 5 HHBDRO CC[C@H]([NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000484291846 996683267 /nfs/dbraw/zinc/68/32/67/996683267.db2.gz NPGYNKVZMWUAFC-ZBFHGGJFSA-N 1 0 403.504 3.611 20 5 HHBDRO COc1ccccc1-c1nc(C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000484323593 996703234 /nfs/dbraw/zinc/70/32/34/996703234.db2.gz LIFIDLPNDJVXML-UHFFFAOYSA-N 1 0 424.457 3.912 20 5 HHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000484492302 996815726 /nfs/dbraw/zinc/81/57/26/996815726.db2.gz NFHCOMHHPWQMQM-IBGZPJMESA-N 1 0 409.530 3.987 20 5 HHBDRO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000484634924 996970020 /nfs/dbraw/zinc/97/00/20/996970020.db2.gz HQCBDPTVMQYXHJ-TZIWHRDSSA-N 1 0 418.515 3.657 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2Oc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000484651837 996988751 /nfs/dbraw/zinc/98/87/51/996988751.db2.gz NUIBFGRXNIOCOO-PZJWPPBQSA-N 1 0 413.474 3.830 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1Oc1ccccc1C ZINC000484660307 996998614 /nfs/dbraw/zinc/99/86/14/996998614.db2.gz ZNGZFSJSNHDCNB-FXAWDEMLSA-N 1 0 413.474 3.830 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000484936014 997312797 /nfs/dbraw/zinc/31/27/97/997312797.db2.gz HUAPQTPOCCCGDE-MOPGFXCFSA-N 1 0 413.905 3.771 20 5 HHBDRO CCc1ccc([C@@H](CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000484946525 997324402 /nfs/dbraw/zinc/32/44/02/997324402.db2.gz QJIIPGWPGIUIGK-GOSISDBHSA-N 1 0 417.531 3.920 20 5 HHBDRO CCOc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000476794891 997344366 /nfs/dbraw/zinc/34/43/66/997344366.db2.gz NRCMIAHGRWUWNA-GDBMZVCRSA-N 1 0 408.499 3.586 20 5 HHBDRO O=C(CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1ccccc1C(F)(F)F ZINC000485007820 997372571 /nfs/dbraw/zinc/37/25/71/997372571.db2.gz JBFXZCCQBNMSEK-UHFFFAOYSA-N 1 0 422.407 3.764 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000477043926 997679481 /nfs/dbraw/zinc/67/94/81/997679481.db2.gz OBIDUZJQBHVPHL-JMGYQRAPSA-N 1 0 403.504 3.662 20 5 HHBDRO CN(C(=O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000477050319 997690990 /nfs/dbraw/zinc/69/09/90/997690990.db2.gz MLGNFIICLFVMIY-DEOSSOPVSA-N 1 0 422.529 3.546 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000477061167 997705881 /nfs/dbraw/zinc/70/58/81/997705881.db2.gz GAECUBUTCYLRPY-DEOSSOPVSA-N 1 0 422.529 3.830 20 5 HHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000485349271 997770510 /nfs/dbraw/zinc/77/05/10/997770510.db2.gz LIQOSZDARZQUCE-LSWJPFSZSA-N 1 0 422.529 3.999 20 5 HHBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@H]1[NH+]1CCCC1 ZINC000485399894 997830077 /nfs/dbraw/zinc/83/00/77/997830077.db2.gz CYFISEOMBJSBKW-MSOLQXFVSA-N 1 0 402.495 3.812 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000485839854 998305529 /nfs/dbraw/zinc/30/55/29/998305529.db2.gz CMRQFIAMLIIOOZ-GFCCVEGCSA-N 1 0 400.460 3.893 20 5 HHBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000485913272 998363950 /nfs/dbraw/zinc/36/39/50/998363950.db2.gz JGUBMXFWAWMHQE-DYESRHJHSA-N 1 0 411.502 3.976 20 5 HHBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000477910132 998649911 /nfs/dbraw/zinc/64/99/11/998649911.db2.gz FGVKYDKCEQSPHL-UHFFFAOYSA-N 1 0 408.502 3.954 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NC3CC([NH+]4CCCCC4)C3)cc2[N+](=O)[O-])CC1 ZINC000477948864 998676323 /nfs/dbraw/zinc/67/63/23/998676323.db2.gz LLTADDBYGACKRK-UHFFFAOYSA-N 1 0 400.523 3.578 20 5 HHBDRO C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 ZINC000486261995 998682331 /nfs/dbraw/zinc/68/23/31/998682331.db2.gz PCKJDCGDHUBMGW-UHFFFAOYSA-N 1 0 416.909 3.932 20 5 HHBDRO COc1ccc2c(c1)[C@H]([N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1)CCO2 ZINC000478032797 998725133 /nfs/dbraw/zinc/72/51/33/998725133.db2.gz YHPXFDAUAQFLGM-HXUWFJFHSA-N 1 0 408.458 3.826 20 5 HHBDRO CCOc1ccc(Br)cc1C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000478055672 998739467 /nfs/dbraw/zinc/73/94/67/998739467.db2.gz VXFYVYWYKAQKRZ-UHFFFAOYSA-N 1 0 409.284 3.617 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486450384 998774985 /nfs/dbraw/zinc/77/49/85/998774985.db2.gz WXGILNXIWPXHBO-VGOFRKELSA-N 1 0 412.490 3.883 20 5 HHBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000486455970 998778251 /nfs/dbraw/zinc/77/82/51/998778251.db2.gz DHSDLYHVFRLNLK-CALCHBBNSA-N 1 0 412.490 3.568 20 5 HHBDRO COC(=O)c1cnc(NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000478253420 998847327 /nfs/dbraw/zinc/84/73/27/998847327.db2.gz GJKGNPPEILITFB-HZPDHXFCSA-N 1 0 412.490 3.866 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)cc2)C1 ZINC000478450307 998965793 /nfs/dbraw/zinc/96/57/93/998965793.db2.gz NGALMPUFNSELTG-HNNXBMFYSA-N 1 0 407.474 3.633 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486846596 998970355 /nfs/dbraw/zinc/97/03/55/998970355.db2.gz OVGDKCJMDBICGG-VGOFRKELSA-N 1 0 421.457 3.602 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000487039505 999045204 /nfs/dbraw/zinc/04/52/04/999045204.db2.gz JCKDNBVKPYXJFQ-IEBWSBKVSA-N 1 0 413.543 3.756 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000478629760 999054699 /nfs/dbraw/zinc/05/46/99/999054699.db2.gz DIUAWAWCVLFXEZ-GOSISDBHSA-N 1 0 403.523 3.867 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc4ncccc4c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000487203901 999096101 /nfs/dbraw/zinc/09/61/01/999096101.db2.gz DLUICBGKIWMIEK-MRXNPFEDSA-N 1 0 408.458 3.847 20 5 HHBDRO C[NH+](C)Cc1cc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1F ZINC000487315768 999133222 /nfs/dbraw/zinc/13/32/22/999133222.db2.gz BKKWOPWZFABRGA-UHFFFAOYSA-N 1 0 400.454 3.670 20 5 HHBDRO C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487423095 999171287 /nfs/dbraw/zinc/17/12/87/999171287.db2.gz YKDLIMGVYHNWNW-FUHWJXTLSA-N 1 0 406.486 3.645 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccccc1 ZINC000478942154 999215121 /nfs/dbraw/zinc/21/51/21/999215121.db2.gz WLJXAAOXMMLKSF-NRFANRHFSA-N 1 0 407.474 3.593 20 5 HHBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487587676 999220067 /nfs/dbraw/zinc/22/00/67/999220067.db2.gz HAHSEQKINXEGHA-SFHVURJKSA-N 1 0 415.515 3.587 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000488434275 999486137 /nfs/dbraw/zinc/48/61/37/999486137.db2.gz LHHGXKRWYCXRCC-UHFFFAOYSA-N 1 0 423.473 3.753 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000488459540 999492992 /nfs/dbraw/zinc/49/29/92/999492992.db2.gz GIRZABJXOSQDGZ-OXQOHEQNSA-N 1 0 408.502 3.810 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000488678228 999568671 /nfs/dbraw/zinc/56/86/71/999568671.db2.gz URDCCEKJWUFULG-UHFFFAOYSA-N 1 0 419.485 3.517 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000489036833 999678627 /nfs/dbraw/zinc/67/86/27/999678627.db2.gz NZYABOHVZFXVGR-KFKAGJAMSA-N 1 0 421.563 3.667 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000489103505 999700374 /nfs/dbraw/zinc/70/03/74/999700374.db2.gz PAZCXIBOPNLLEG-DOTOQJQBSA-N 1 0 417.531 3.549 20 5 HHBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000480119370 999721968 /nfs/dbraw/zinc/72/19/68/999721968.db2.gz CWKFEDNQSDAFGL-UHFFFAOYSA-N 1 0 408.502 3.933 20 5 HHBDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000489284531 999736848 /nfs/dbraw/zinc/73/68/48/999736848.db2.gz BIESTRSHFUUTFY-QGZVFWFLSA-N 1 0 411.506 3.555 20 5 HHBDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000489284530 999736878 /nfs/dbraw/zinc/73/68/78/999736878.db2.gz BIESTRSHFUUTFY-KRWDZBQOSA-N 1 0 411.506 3.555 20 5 HHBDRO C[NH+](C)[C@]1(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCSC1 ZINC000480265445 999759435 /nfs/dbraw/zinc/75/94/35/999759435.db2.gz XVWNLXYLYASMIW-FQEVSTJZSA-N 1 0 400.504 3.506 20 5 HHBDRO C[NH+](C)CCCOc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000489519947 999783002 /nfs/dbraw/zinc/78/30/02/999783002.db2.gz PPOMUTKZSGWAPI-UHFFFAOYSA-N 1 0 406.870 3.900 20 5 HHBDRO CC[N@H+](C)Cc1cccc(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c1 ZINC000480391506 999787681 /nfs/dbraw/zinc/78/76/81/999787681.db2.gz FCBRZVWBOHEBCI-UHFFFAOYSA-N 1 0 407.474 3.623 20 5 HHBDRO COCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000489549581 999790095 /nfs/dbraw/zinc/79/00/95/999790095.db2.gz NHUDDWHUNAPKPD-UHFFFAOYSA-N 1 0 415.515 3.540 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[NH+]2CCCC2)cc1 ZINC000489716279 999823484 /nfs/dbraw/zinc/82/34/84/999823484.db2.gz OJJSRNQKXJLUJQ-QFIPXVFZSA-N 1 0 419.485 3.656 20 5 HHBDRO Cc1c(Br)c(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000480573883 999830074 /nfs/dbraw/zinc/83/00/74/999830074.db2.gz CQMQNAVEAGXPDS-IYBDPMFKSA-N 1 0 417.307 3.629 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000489774979 999835918 /nfs/dbraw/zinc/83/59/18/999835918.db2.gz IZDAJOHYYFIHRZ-INIZCTEOSA-N 1 0 411.506 3.750 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000480696576 999861928 /nfs/dbraw/zinc/86/19/28/999861928.db2.gz XWMAYQABJXKQIP-LBPRGKRZSA-N 1 0 401.854 3.642 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000490216726 999912834 /nfs/dbraw/zinc/91/28/34/999912834.db2.gz OCCQOZPJMHHSPP-FQEVSTJZSA-N 1 0 407.474 3.956 20 5 HHBDRO CS(=O)(=O)c1cccc([C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000491028256 1000036108 /nfs/dbraw/zinc/03/61/08/1000036108.db2.gz DFTAZSLJJXUXSX-JOCHJYFZSA-N 1 0 410.495 3.920 20 5 HHBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)CC[C@H]21 ZINC000493933427 1000223497 /nfs/dbraw/zinc/22/34/97/1000223497.db2.gz RUZQFUCEFSHVHG-PGRDOPGGSA-N 1 0 408.502 3.763 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000504896513 1000434406 /nfs/dbraw/zinc/43/44/06/1000434406.db2.gz YJNNKBVWJHHDLV-GHTZIAJQSA-N 1 0 413.518 3.588 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504899594 1000436062 /nfs/dbraw/zinc/43/60/62/1000436062.db2.gz JDZVXBAGVWYSON-IERDGZPVSA-N 1 0 417.481 3.857 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000504926805 1000452879 /nfs/dbraw/zinc/45/28/79/1000452879.db2.gz KNVSBRBOIFYQBE-QGZVFWFLSA-N 1 0 408.545 3.800 20 5 HHBDRO COc1ccc(OCC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000494515076 1000534211 /nfs/dbraw/zinc/53/42/11/1000534211.db2.gz XTFRCWUGUUFJBH-LPHOPBHVSA-N 1 0 410.829 3.895 20 5 HHBDRO COc1cc(CNCC[N@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000494647877 1000587075 /nfs/dbraw/zinc/58/70/75/1000587075.db2.gz LNCALUFBLIGQFH-OKILXGFUSA-N 1 0 401.454 3.600 20 5 HHBDRO COc1cc(C[NH2+]C[C@H]2CCOc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000494697712 1000609104 /nfs/dbraw/zinc/60/91/04/1000609104.db2.gz RIMVVOFMYQUHPH-CYBMUJFWSA-N 1 0 408.401 3.903 20 5 HHBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Br)cs1 ZINC000494759600 1000638338 /nfs/dbraw/zinc/63/83/38/1000638338.db2.gz ISVSTFFRRPWRHJ-JTQLQIEISA-N 1 0 419.322 3.543 20 5 HHBDRO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)C[C@@H]1CCCCO1 ZINC000494771197 1000645370 /nfs/dbraw/zinc/64/53/70/1000645370.db2.gz SEEBPUSQOUUAAS-CJNGLKHVSA-N 1 0 404.492 3.546 20 5 HHBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505267781 1000658009 /nfs/dbraw/zinc/65/80/09/1000658009.db2.gz GVFXXLZJSXDRPI-UHFFFAOYSA-N 1 0 412.490 3.577 20 5 HHBDRO C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000505582561 1000919715 /nfs/dbraw/zinc/91/97/15/1000919715.db2.gz VMEYNRZFMVZGAE-YVEFUNNKSA-N 1 0 406.280 3.779 20 5 HHBDRO COc1cc(C[NH2+][C@](C)(CO)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505611471 1000933846 /nfs/dbraw/zinc/93/38/46/1000933846.db2.gz UUNDIIPDVLIWEP-LJQANCHMSA-N 1 0 402.438 3.668 20 5 HHBDRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000505807132 1001036536 /nfs/dbraw/zinc/03/65/36/1001036536.db2.gz PAWMFFOFHIXCDW-UHFFFAOYSA-N 1 0 402.476 3.723 20 5 HHBDRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000505817231 1001041322 /nfs/dbraw/zinc/04/13/22/1001041322.db2.gz HGMNOHQVLKDUPG-UHFFFAOYSA-N 1 0 414.437 3.801 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000505905616 1001091575 /nfs/dbraw/zinc/09/15/75/1001091575.db2.gz GIUVSDKSUFPMPO-RTBURBONSA-N 1 0 414.550 3.922 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497352502 1001305116 /nfs/dbraw/zinc/30/51/16/1001305116.db2.gz NGOKUTJAAABJDC-RDTXWAMCSA-N 1 0 419.428 3.837 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000497355370 1001306039 /nfs/dbraw/zinc/30/60/39/1001306039.db2.gz VLNJZYWJPVLYGO-UHFFFAOYSA-N 1 0 417.531 3.758 20 5 HHBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000497427873 1001359214 /nfs/dbraw/zinc/35/92/14/1001359214.db2.gz HDWMCYUQNPEDNK-ZWKOTPCHSA-N 1 0 408.483 3.546 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000506471465 1001427385 /nfs/dbraw/zinc/42/73/85/1001427385.db2.gz QGPFZAGDUIWRIC-JKSUJKDBSA-N 1 0 408.930 3.773 20 5 HHBDRO COc1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000506568152 1001461203 /nfs/dbraw/zinc/46/12/03/1001461203.db2.gz MBJGAWZUEOBJSL-LBPRGKRZSA-N 1 0 404.385 3.545 20 5 HHBDRO COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[NH+]2CCCC2)cc1 ZINC000497757253 1001505838 /nfs/dbraw/zinc/50/58/38/1001505838.db2.gz DNZJNLXUOISITN-NRFANRHFSA-N 1 0 420.469 3.719 20 5 HHBDRO CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1COc2ccccc2O1 ZINC000506806525 1001540251 /nfs/dbraw/zinc/54/02/51/1001540251.db2.gz QQZDGLUNCAELFR-LJQANCHMSA-N 1 0 408.458 3.657 20 5 HHBDRO CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@@H+]1CCc2ccccc2C1 ZINC000497893697 1001553761 /nfs/dbraw/zinc/55/37/61/1001553761.db2.gz FRBWJLQHCDPNFC-GOSISDBHSA-N 1 0 404.470 3.710 20 5 HHBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000498180820 1001677266 /nfs/dbraw/zinc/67/72/66/1001677266.db2.gz DIRFJAYDDXOLAJ-UHFFFAOYSA-N 1 0 407.417 3.709 20 5 HHBDRO CCOc1ccc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000507117568 1001819174 /nfs/dbraw/zinc/81/91/74/1001819174.db2.gz JNOSGDYPLBPESD-UHFFFAOYSA-N 1 0 411.502 3.774 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000498407374 1001835115 /nfs/dbraw/zinc/83/51/15/1001835115.db2.gz BMLRPVJCGHLBIS-HUUCEWRRSA-N 1 0 402.520 3.816 20 5 HHBDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000507172029 1001858654 /nfs/dbraw/zinc/85/86/54/1001858654.db2.gz YZGILZIUUVNVMH-UHFFFAOYSA-N 1 0 415.490 3.610 20 5 HHBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000498470111 1001898715 /nfs/dbraw/zinc/89/87/15/1001898715.db2.gz XXBUEDCBIRALNZ-HNNXBMFYSA-N 1 0 402.520 3.960 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000507387623 1002041449 /nfs/dbraw/zinc/04/14/49/1002041449.db2.gz HGPBPFVWQAPPBW-JQHSSLGASA-N 1 0 409.490 3.520 20 5 HHBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000499110238 1002500213 /nfs/dbraw/zinc/50/02/13/1002500213.db2.gz JAMMHMAIHKEUOI-DNVCBOLYSA-N 1 0 400.479 3.575 20 5 HHBDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000499206235 1002591941 /nfs/dbraw/zinc/59/19/41/1002591941.db2.gz GMIABRWSXXMELC-UHFFFAOYSA-N 1 0 411.502 3.640 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000508337285 1002841338 /nfs/dbraw/zinc/84/13/38/1002841338.db2.gz DUGHMDMBGKNBRT-ZDUSSCGKSA-N 1 0 419.865 3.916 20 5 HHBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000499672181 1003028702 /nfs/dbraw/zinc/02/87/02/1003028702.db2.gz UVMOLSXIPZOHDP-CYBMUJFWSA-N 1 0 403.401 3.530 20 5 HHBDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000508645468 1003093079 /nfs/dbraw/zinc/09/30/79/1003093079.db2.gz NLQMARMYQPGTPC-NEPJUHHUSA-N 1 0 422.279 3.703 20 5 HHBDRO CC(C)C1CCC([NH+]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000500076980 1003432331 /nfs/dbraw/zinc/43/23/31/1003432331.db2.gz VNRUBEUBQJFRBQ-UHFFFAOYSA-N 1 0 402.539 3.756 20 5 HHBDRO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000508969979 1003439766 /nfs/dbraw/zinc/43/97/66/1003439766.db2.gz OMKOZOZBPNVZQK-UHFFFAOYSA-N 1 0 420.517 3.739 20 5 HHBDRO COCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)(C)C ZINC000508996781 1003468428 /nfs/dbraw/zinc/46/84/28/1003468428.db2.gz PDTQAMXGPKXTBM-XHDPSFHLSA-N 1 0 405.417 3.981 20 5 HHBDRO COCC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)(C)C ZINC000508996779 1003468603 /nfs/dbraw/zinc/46/86/03/1003468603.db2.gz PDTQAMXGPKXTBM-IAQYHMDHSA-N 1 0 405.417 3.981 20 5 HHBDRO CCC[NH+]1CCC(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000500230800 1003569081 /nfs/dbraw/zinc/56/90/81/1003569081.db2.gz ABRFNFFMHBGSBU-UHFFFAOYSA-N 1 0 402.539 3.683 20 5 HHBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1 ZINC000500394289 1003689848 /nfs/dbraw/zinc/68/98/48/1003689848.db2.gz DSLXDARYTHCGDS-LJQANCHMSA-N 1 0 408.458 3.652 20 5 HHBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000500441850 1003720721 /nfs/dbraw/zinc/72/07/21/1003720721.db2.gz ZEVMAUZBLSTSQQ-SJORKVTESA-N 1 0 404.470 3.878 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511840359 1003818254 /nfs/dbraw/zinc/81/82/54/1003818254.db2.gz FOCGSSRAVLCRFP-OAHLLOKOSA-N 1 0 423.391 3.627 20 5 HHBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1[N+](=O)[O-] ZINC000511847795 1003826981 /nfs/dbraw/zinc/82/69/81/1003826981.db2.gz SCYLIDPIABXBRP-KRWDZBQOSA-N 1 0 407.392 3.926 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000511871954 1003851402 /nfs/dbraw/zinc/85/14/02/1003851402.db2.gz GGQSVNYVIMPSAV-NJDAHSKKSA-N 1 0 400.500 3.637 20 5 HHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000509487953 1003899026 /nfs/dbraw/zinc/89/90/26/1003899026.db2.gz JZMYZVLMMHXQMD-UHFFFAOYSA-N 1 0 414.506 3.655 20 5 HHBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000511979950 1003933670 /nfs/dbraw/zinc/93/36/70/1003933670.db2.gz AJOHTAJEGCJKTP-HNNXBMFYSA-N 1 0 416.909 3.884 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000512004614 1003948235 /nfs/dbraw/zinc/94/82/35/1003948235.db2.gz AZVRCASQGQOTDV-AWEZNQCLSA-N 1 0 400.454 3.621 20 5 HHBDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000512067072 1003996282 /nfs/dbraw/zinc/99/62/82/1003996282.db2.gz KGBNMXXBDNVZIP-GOSISDBHSA-N 1 0 401.463 3.696 20 5 HHBDRO CCOc1cc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000500917648 1004050979 /nfs/dbraw/zinc/05/09/79/1004050979.db2.gz JSHWRBKUMLYXJY-UHFFFAOYSA-N 1 0 419.522 3.730 20 5 HHBDRO C[C@H]1C[C@@H](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000509759780 1004076794 /nfs/dbraw/zinc/07/67/94/1004076794.db2.gz DFSFISIYWMTFOJ-GHTZIAJQSA-N 1 0 410.518 3.737 20 5 HHBDRO C[C@@H]1C[NH+](CC2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)C[C@@H](C)O1 ZINC000512181807 1004084329 /nfs/dbraw/zinc/08/43/29/1004084329.db2.gz QHYRUQYYWFSQRG-HUUCEWRRSA-N 1 0 413.465 3.517 20 5 HHBDRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000512193359 1004094514 /nfs/dbraw/zinc/09/45/14/1004094514.db2.gz DQLHPXPHQKBONH-CQSZACIVSA-N 1 0 415.471 3.695 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000509788605 1004097676 /nfs/dbraw/zinc/09/76/76/1004097676.db2.gz KDTCQPHXOAKNDG-HKUYNNGSSA-N 1 0 417.531 3.749 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000512283366 1004185527 /nfs/dbraw/zinc/18/55/27/1004185527.db2.gz YVQCWAMIAKJIQJ-MRXNPFEDSA-N 1 0 414.481 3.675 20 5 HHBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512292891 1004195758 /nfs/dbraw/zinc/19/57/58/1004195758.db2.gz QXICYIGTYXEGGE-MBSDFSHPSA-N 1 0 408.502 3.520 20 5 HHBDRO COc1cc(C[NH+]2CCC(n3cncn3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512350070 1004237697 /nfs/dbraw/zinc/23/76/97/1004237697.db2.gz GPMFITWZCPKJRM-UHFFFAOYSA-N 1 0 423.473 3.611 20 5 HHBDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000512387767 1004263164 /nfs/dbraw/zinc/26/31/64/1004263164.db2.gz PVUACSHLPOOTKJ-UHFFFAOYSA-N 1 0 410.518 3.544 20 5 HHBDRO C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000501247161 1004311292 /nfs/dbraw/zinc/31/12/92/1004311292.db2.gz INKLXLDVXRMHIS-AUUYWEPGSA-N 1 0 404.898 3.781 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](CNC(=O)C(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000512464360 1004323154 /nfs/dbraw/zinc/32/31/54/1004323154.db2.gz WUMMVGIRUWLSRU-INIZCTEOSA-N 1 0 415.490 3.848 20 5 HHBDRO C[C@H]1C[C@H](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[N@@H+]1Cc1ccccc1 ZINC000512543947 1004374134 /nfs/dbraw/zinc/37/41/34/1004374134.db2.gz DEFGSCPELWBROC-RDJZCZTQSA-N 1 0 407.474 3.502 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000512588502 1004404536 /nfs/dbraw/zinc/40/45/36/1004404536.db2.gz VXRZJMPKJIDKGJ-ROUUACIJSA-N 1 0 402.539 3.825 20 5 HHBDRO CCC[NH+]1CCC(N(C)Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000510469264 1004587997 /nfs/dbraw/zinc/58/79/97/1004587997.db2.gz LRMZUZNTMLDNCQ-UHFFFAOYSA-N 1 0 419.444 3.851 20 5 HHBDRO Cc1c(Br)cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000510490315 1004609215 /nfs/dbraw/zinc/60/92/15/1004609215.db2.gz IGTHSYQAGWOHKP-UHFFFAOYSA-N 1 0 410.312 3.803 20 5 HHBDRO O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000512874930 1004638450 /nfs/dbraw/zinc/63/84/50/1004638450.db2.gz WICJSNRNUCLUAN-UHFFFAOYSA-N 1 0 405.410 3.631 20 5 HHBDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000512898415 1004666372 /nfs/dbraw/zinc/66/63/72/1004666372.db2.gz BRGCKAPSHSOSFB-QAPCUYQASA-N 1 0 423.560 3.521 20 5 HHBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[NH+](C)C ZINC000510537946 1004671286 /nfs/dbraw/zinc/67/12/86/1004671286.db2.gz JKKBNEKKXOEWBX-KKSFZXQISA-N 1 0 407.474 3.510 20 5 HHBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[NH+](C)C ZINC000510550486 1004686154 /nfs/dbraw/zinc/68/61/54/1004686154.db2.gz NPBIGJJRBUNGHW-HRAATJIYSA-N 1 0 407.474 3.510 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000501770939 1004709485 /nfs/dbraw/zinc/70/94/85/1004709485.db2.gz REFZHRCVXIWDPX-DLBZAZTESA-N 1 0 407.474 3.740 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](N3CCOCC3)C(F)(F)F)s2)cc1 ZINC000512977337 1004741010 /nfs/dbraw/zinc/74/10/10/1004741010.db2.gz KDRDORVMZATKRQ-QGZVFWFLSA-N 1 0 415.437 3.676 20 5 HHBDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000501974307 1004839992 /nfs/dbraw/zinc/83/99/92/1004839992.db2.gz UEKJYUWPDIYYDQ-CVEARBPZSA-N 1 0 423.473 3.781 20 5 HHBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000510836441 1004883033 /nfs/dbraw/zinc/88/30/33/1004883033.db2.gz XJQYVZOIXJVLJZ-HNNXBMFYSA-N 1 0 420.416 3.982 20 5 HHBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000502070365 1004889090 /nfs/dbraw/zinc/88/90/90/1004889090.db2.gz FFZRMSRCDZYXEY-UHFFFAOYSA-N 1 0 421.563 3.598 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000513302480 1004902971 /nfs/dbraw/zinc/90/29/71/1004902971.db2.gz VXXHZHCWZNCCTB-MAUKXSAKSA-N 1 0 417.893 3.796 20 5 HHBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510955219 1004952249 /nfs/dbraw/zinc/95/22/49/1004952249.db2.gz WKTRVUPYAOPEIL-XQQFMLRXSA-N 1 0 400.426 3.684 20 5 HHBDRO C[N@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CCN(CCO)CC1 ZINC000513517783 1005001541 /nfs/dbraw/zinc/00/15/41/1005001541.db2.gz BAXZPJPKAIOVPD-UHFFFAOYSA-N 1 0 419.909 3.929 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)c1 ZINC000511087817 1005012521 /nfs/dbraw/zinc/01/25/21/1005012521.db2.gz BWAVLYNBHCKBEV-UTKZUKDTSA-N 1 0 406.429 3.896 20 5 HHBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000511122768 1005030545 /nfs/dbraw/zinc/03/05/45/1005030545.db2.gz IPPHOFUTZNRJJZ-UHFFFAOYSA-N 1 0 411.531 3.778 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511226717 1005081370 /nfs/dbraw/zinc/08/13/70/1005081370.db2.gz CRUGDUUUWXKIHG-HZPDHXFCSA-N 1 0 421.563 3.716 20 5 HHBDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000513689203 1005083121 /nfs/dbraw/zinc/08/31/21/1005083121.db2.gz AEPZJZDFAXELCV-HXUWFJFHSA-N 1 0 415.490 3.512 20 5 HHBDRO C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511268235 1005099338 /nfs/dbraw/zinc/09/93/38/1005099338.db2.gz VSJTURGUJHYPLL-OLZOCXBDSA-N 1 0 410.312 3.740 20 5 HHBDRO COc1ccc(CSCC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000511290162 1005109779 /nfs/dbraw/zinc/10/97/79/1005109779.db2.gz SACRKUHQEYMULT-NVXWUHKLSA-N 1 0 421.563 3.606 20 5 HHBDRO COc1ccc(CSCC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000511290163 1005109914 /nfs/dbraw/zinc/10/99/14/1005109914.db2.gz SACRKUHQEYMULT-RDJZCZTQSA-N 1 0 421.563 3.606 20 5 HHBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000513786638 1005126319 /nfs/dbraw/zinc/12/63/19/1005126319.db2.gz KOKRGLUYICPYSS-VPWXQRGCSA-N 1 0 417.531 3.565 20 5 HHBDRO O=C(c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000513787550 1005127163 /nfs/dbraw/zinc/12/71/63/1005127163.db2.gz ARLDGXZXJOTYRR-WIYYLYMNSA-N 1 0 408.502 3.595 20 5 HHBDRO C[NH+]1CCC(Oc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cn2)CC1 ZINC000513863089 1005163721 /nfs/dbraw/zinc/16/37/21/1005163721.db2.gz DGPZHBRILTXQIT-UHFFFAOYSA-N 1 0 405.842 3.760 20 5 HHBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000513934922 1005194130 /nfs/dbraw/zinc/19/41/30/1005194130.db2.gz ARDZUFRDBRIFRN-PZJWPPBQSA-N 1 0 416.481 3.575 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511552151 1005221412 /nfs/dbraw/zinc/22/14/12/1005221412.db2.gz KNZDUHUSBGOMCU-PGRDOPGGSA-N 1 0 410.518 3.689 20 5 HHBDRO COc1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000511600119 1005240550 /nfs/dbraw/zinc/24/05/50/1005240550.db2.gz RGVSQEZWCNPOOI-QGZVFWFLSA-N 1 0 403.504 3.868 20 5 HHBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000502876453 1005254115 /nfs/dbraw/zinc/25/41/15/1005254115.db2.gz QCHLCTRRIJOCDW-QGZVFWFLSA-N 1 0 400.504 3.809 20 5 HHBDRO Cn1ccnc1[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000514088809 1005260402 /nfs/dbraw/zinc/26/04/02/1005260402.db2.gz NGEYIEWTMNRVDK-OAQYLSRUSA-N 1 0 406.486 3.756 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)cc2[N+](=O)[O-])CC1 ZINC000502895308 1005263289 /nfs/dbraw/zinc/26/32/89/1005263289.db2.gz OXUVPWHOIFHGKX-FQEVSTJZSA-N 1 0 414.550 3.922 20 5 HHBDRO Cn1ccnc1[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000514096429 1005263475 /nfs/dbraw/zinc/26/34/75/1005263475.db2.gz VWEIQCWJZHMRRK-QFIPXVFZSA-N 1 0 405.502 3.803 20 5 HHBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000502919220 1005274855 /nfs/dbraw/zinc/27/48/55/1005274855.db2.gz MJVZNVOEEDKGGW-IBGZPJMESA-N 1 0 403.526 3.632 20 5 HHBDRO CCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000502933937 1005281273 /nfs/dbraw/zinc/28/12/73/1005281273.db2.gz DOYRCCJSFXFYNP-QGZVFWFLSA-N 1 0 412.490 3.971 20 5 HHBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000514224228 1005321055 /nfs/dbraw/zinc/32/10/55/1005321055.db2.gz ZPLPGTQUXLPZTF-HNNXBMFYSA-N 1 0 411.449 3.924 20 5 HHBDRO O=C(C[NH2+][C@@H]1CCCC12CCOCC2)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000503435051 1005419504 /nfs/dbraw/zinc/41/95/04/1005419504.db2.gz SREJXHCTEFTFDJ-QGZVFWFLSA-N 1 0 416.503 3.596 20 5 HHBDRO O=C(C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000503569618 1005455278 /nfs/dbraw/zinc/45/52/78/1005455278.db2.gz UYEGLJZFZALKMS-GOSISDBHSA-N 1 0 409.442 3.804 20 5 HHBDRO COc1ccc([C@H]2C[C@H]([NH2+][C@@H](C)CC(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1F ZINC000503901727 1005507778 /nfs/dbraw/zinc/50/77/78/1005507778.db2.gz KETFMDIKWROMFM-QRTARXTBSA-N 1 0 401.438 3.995 20 5 HHBDRO CCOc1cc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1OCC ZINC000514505159 1006010626 /nfs/dbraw/zinc/01/06/26/1006010626.db2.gz ACSSDEAUEZQLEH-UHFFFAOYSA-N 1 0 408.499 3.823 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000531204559 1006045164 /nfs/dbraw/zinc/04/51/64/1006045164.db2.gz HLVWQDMWTTYYRK-JKSUJKDBSA-N 1 0 410.474 3.708 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1OC ZINC000531306818 1006107032 /nfs/dbraw/zinc/10/70/32/1006107032.db2.gz MYAVDKXJDMQUCS-KRWDZBQOSA-N 1 0 421.881 3.688 20 5 HHBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000534134666 1006114524 /nfs/dbraw/zinc/11/45/24/1006114524.db2.gz NAMRCRWYFPASLE-OAHLLOKOSA-N 1 0 412.273 3.607 20 5 HHBDRO COc1ccc(C[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000534172915 1006156764 /nfs/dbraw/zinc/15/67/64/1006156764.db2.gz HOKVSWHGKGOQRU-HZPDHXFCSA-N 1 0 415.490 3.750 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534257416 1006266412 /nfs/dbraw/zinc/26/64/12/1006266412.db2.gz QGUAUKVVAUTPFX-BRLLKYFNSA-N 1 0 406.486 3.963 20 5 HHBDRO CC[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000531702738 1006364719 /nfs/dbraw/zinc/36/47/19/1006364719.db2.gz RLFJAPWLDDLTEX-HXUWFJFHSA-N 1 0 405.520 3.664 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000531704352 1006366625 /nfs/dbraw/zinc/36/66/25/1006366625.db2.gz FGITXUXLFHVLCX-CYBMUJFWSA-N 1 0 406.280 3.907 20 5 HHBDRO CNc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000531727214 1006382321 /nfs/dbraw/zinc/38/23/21/1006382321.db2.gz SUTLMADCBJTFNF-TZIWHRDSSA-N 1 0 408.502 3.763 20 5 HHBDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000534473917 1006460897 /nfs/dbraw/zinc/46/08/97/1006460897.db2.gz KABAMGMPAZLXSC-GOSISDBHSA-N 1 0 407.474 3.664 20 5 HHBDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000534475000 1006462323 /nfs/dbraw/zinc/46/23/23/1006462323.db2.gz ULNGXQUFSRSAPQ-GOSISDBHSA-N 1 0 418.457 3.968 20 5 HHBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000515495269 1006500123 /nfs/dbraw/zinc/50/01/23/1006500123.db2.gz HKTCGGQJXYLNCX-UHFFFAOYSA-N 1 0 423.473 3.753 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1 ZINC000531951866 1006541100 /nfs/dbraw/zinc/54/11/00/1006541100.db2.gz YLSXTMYBCRAWLX-INIZCTEOSA-N 1 0 405.520 3.582 20 5 HHBDRO CSCC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000531954108 1006543330 /nfs/dbraw/zinc/54/33/30/1006543330.db2.gz HMNBMIOBZQTACB-NSHDSACASA-N 1 0 415.309 3.821 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(CNC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)cs2)c1 ZINC000532015572 1006576701 /nfs/dbraw/zinc/57/67/01/1006576701.db2.gz DUYACFGFVRABEB-PMACEKPBSA-N 1 0 416.547 3.576 20 5 HHBDRO Cn1cc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538420279 1006687892 /nfs/dbraw/zinc/68/78/92/1006687892.db2.gz LOLGRQRDXDQIEP-INIZCTEOSA-N 1 0 413.428 3.642 20 5 HHBDRO COc1ccc([C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000515841542 1006712570 /nfs/dbraw/zinc/71/25/70/1006712570.db2.gz AMCJBRVKARMVTK-KKSFZXQISA-N 1 0 412.490 3.801 20 5 HHBDRO C[C@@H](CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[S@](C)=O ZINC000532208388 1006722310 /nfs/dbraw/zinc/72/23/10/1006722310.db2.gz SQGDECOOJJVHKC-OFJJUDJNSA-N 1 0 412.515 3.694 20 5 HHBDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000532214214 1006726578 /nfs/dbraw/zinc/72/65/78/1006726578.db2.gz XAARTLBWSGGZOG-KRWDZBQOSA-N 1 0 419.547 3.534 20 5 HHBDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000532219877 1006729928 /nfs/dbraw/zinc/72/99/28/1006729928.db2.gz WCXSZMUYDIHKRV-KRWDZBQOSA-N 1 0 411.502 3.796 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000532331122 1006797123 /nfs/dbraw/zinc/79/71/23/1006797123.db2.gz SUQLUAHAQPDFGA-GOSISDBHSA-N 1 0 408.458 3.553 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000532444573 1006887857 /nfs/dbraw/zinc/88/78/57/1006887857.db2.gz ZXXCSFAJDBPXGD-SFHVURJKSA-N 1 0 418.538 3.660 20 5 HHBDRO C[C@H](CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[S@@](C)=O ZINC000532468283 1006906991 /nfs/dbraw/zinc/90/69/91/1006906991.db2.gz LUCXBAVDCQHMJC-YDGUKXNOSA-N 1 0 415.309 3.864 20 5 HHBDRO C[N@H+](CCN1CCCC1=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538730160 1007010201 /nfs/dbraw/zinc/01/02/01/1007010201.db2.gz LEBARBLRJQVDRJ-UHFFFAOYSA-N 1 0 419.485 3.502 20 5 HHBDRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000538751538 1007035934 /nfs/dbraw/zinc/03/59/34/1007035934.db2.gz XFBSMJFOIUHGJK-LJQANCHMSA-N 1 0 404.536 3.651 20 5 HHBDRO COC[C@H]([NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000532737658 1007147799 /nfs/dbraw/zinc/14/77/99/1007147799.db2.gz VMHMWFMLRNNLDL-RBUKOAKNSA-N 1 0 403.866 3.943 20 5 HHBDRO COc1ccc(Cl)cc1C[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000532899743 1007276156 /nfs/dbraw/zinc/27/61/56/1007276156.db2.gz BOLQWLCTPINTGU-UHFFFAOYSA-N 1 0 405.838 3.687 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000539077306 1007369155 /nfs/dbraw/zinc/36/91/55/1007369155.db2.gz AERJWBFTCKXORI-QGZVFWFLSA-N 1 0 417.531 3.655 20 5 HHBDRO O=C1C[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1Cc1ccccc1 ZINC000535341082 1007393787 /nfs/dbraw/zinc/39/37/87/1007393787.db2.gz QCGDSVWQUPHQMR-SFHVURJKSA-N 1 0 405.454 3.993 20 5 HHBDRO O=C(Nc1ccccc1)c1cccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000533058563 1007421223 /nfs/dbraw/zinc/42/12/23/1007421223.db2.gz NZPVKKXDTAJCHL-FQEVSTJZSA-N 1 0 417.469 3.929 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000533062926 1007424864 /nfs/dbraw/zinc/42/48/64/1007424864.db2.gz IUXUBQQSJKXXNH-UHFFFAOYSA-N 1 0 403.866 3.791 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H](c4nnc5ccccn54)C3)o2)c1 ZINC000533079438 1007441566 /nfs/dbraw/zinc/44/15/66/1007441566.db2.gz OTDQFUVPTULWEV-KRWDZBQOSA-N 1 0 418.457 3.715 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[C@H]1c1ccccc1 ZINC000535394601 1007460901 /nfs/dbraw/zinc/46/09/01/1007460901.db2.gz JOYPZNIFWANMLY-FGZHOGPDSA-N 1 0 424.501 3.593 20 5 HHBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000535406029 1007473828 /nfs/dbraw/zinc/47/38/28/1007473828.db2.gz WODRAONHUBETJD-UHFFFAOYSA-N 1 0 416.909 3.755 20 5 HHBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000539224426 1007516086 /nfs/dbraw/zinc/51/60/86/1007516086.db2.gz GYVBGOOKECDPND-CYBMUJFWSA-N 1 0 403.866 3.756 20 5 HHBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(OCc3c(F)cccc3Cl)cc2)c1 ZINC000533187465 1007526179 /nfs/dbraw/zinc/52/61/79/1007526179.db2.gz BJFJDOUDSZFLJD-UHFFFAOYSA-N 1 0 404.829 3.953 20 5 HHBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000539251512 1007543977 /nfs/dbraw/zinc/54/39/77/1007543977.db2.gz UHNMOJVADPALPP-NRFANRHFSA-N 1 0 411.502 3.879 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1OCC ZINC000539266886 1007562398 /nfs/dbraw/zinc/56/23/98/1007562398.db2.gz CLQHCYRHMKEBRB-HNNXBMFYSA-N 1 0 413.474 3.632 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000533293666 1007608608 /nfs/dbraw/zinc/60/86/08/1007608608.db2.gz ZANNZMQJLJXCQX-KRWDZBQOSA-N 1 0 407.474 3.741 20 5 HHBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCN(c2ccccc2)C1=O ZINC000533295814 1007611892 /nfs/dbraw/zinc/61/18/92/1007611892.db2.gz TTZGFESLNXCAFG-FQEVSTJZSA-N 1 0 420.469 3.920 20 5 HHBDRO COc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000539379753 1007684312 /nfs/dbraw/zinc/68/43/12/1007684312.db2.gz QZERWUGKVLMZAC-GFCCVEGCSA-N 1 0 407.854 3.863 20 5 HHBDRO CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000539381391 1007685469 /nfs/dbraw/zinc/68/54/69/1007685469.db2.gz VUDDQTYIGKLQLS-JKSUJKDBSA-N 1 0 415.490 3.839 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535670122 1007688485 /nfs/dbraw/zinc/68/84/85/1007688485.db2.gz AGLNGQVULOVQLD-MGPUTAFESA-N 1 0 405.857 3.739 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cccc1[N+](=O)[O-] ZINC000533407753 1007717486 /nfs/dbraw/zinc/71/74/86/1007717486.db2.gz CKPBQKXLQFREOQ-MOPGFXCFSA-N 1 0 402.539 3.818 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000533435422 1007749797 /nfs/dbraw/zinc/74/97/97/1007749797.db2.gz YJADIWRLMPSTBD-UHFFFAOYSA-N 1 0 401.438 3.914 20 5 HHBDRO CC(C)[C@@H](CO)[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000533478701 1007785171 /nfs/dbraw/zinc/78/51/71/1007785171.db2.gz QNCZLABIXYBWRG-LJQANCHMSA-N 1 0 405.882 3.706 20 5 HHBDRO Cc1c(NC(=O)CC[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cccc1[N+](=O)[O-] ZINC000533478964 1007785989 /nfs/dbraw/zinc/78/59/89/1007785989.db2.gz AUAOQBFMCXFFCU-UHFFFAOYSA-N 1 0 405.458 3.897 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000535777535 1007787714 /nfs/dbraw/zinc/78/77/14/1007787714.db2.gz GLUPBZKJSATFCN-WIYYLYMNSA-N 1 0 412.534 3.633 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539488656 1007798908 /nfs/dbraw/zinc/79/89/08/1007798908.db2.gz LMPPDJORBRCXEQ-IBGZPJMESA-N 1 0 411.502 3.978 20 5 HHBDRO NC(=O)c1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCC2)c([N+](=O)[O-])c1 ZINC000533490304 1007801559 /nfs/dbraw/zinc/80/15/59/1007801559.db2.gz LWBQDEIHRFZYRO-UHFFFAOYSA-N 1 0 404.264 3.625 20 5 HHBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000535802917 1007811227 /nfs/dbraw/zinc/81/12/27/1007811227.db2.gz RMSGZFFBIXYBAQ-HOTGVXAUSA-N 1 0 402.495 3.808 20 5 HHBDRO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533516577 1007835795 /nfs/dbraw/zinc/83/57/95/1007835795.db2.gz TXMDYMJZKGDFQE-AWEZNQCLSA-N 1 0 410.430 3.599 20 5 HHBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CN1 ZINC000535840885 1007851187 /nfs/dbraw/zinc/85/11/87/1007851187.db2.gz IDUFPFVCZAUIFI-SCLBCKFNSA-N 1 0 403.866 3.999 20 5 HHBDRO O=C(c1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1)N1CCOCC1 ZINC000533580101 1007883141 /nfs/dbraw/zinc/88/31/41/1007883141.db2.gz LUHAYTZGEOCXLU-IRLDBZIGSA-N 1 0 423.513 3.568 20 5 HHBDRO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000533649341 1007959276 /nfs/dbraw/zinc/95/92/76/1007959276.db2.gz MLLRLOWYSXNEDN-OALUTQOASA-N 1 0 422.957 3.657 20 5 HHBDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000535965736 1008002533 /nfs/dbraw/zinc/00/25/33/1008002533.db2.gz IMIQBPMMMAKLOV-SFHVURJKSA-N 1 0 408.458 3.784 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536065515 1008093835 /nfs/dbraw/zinc/09/38/35/1008093835.db2.gz SOIPANHVPFHVEC-QZTJIDSGSA-N 1 0 422.529 3.819 20 5 HHBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533825358 1008136258 /nfs/dbraw/zinc/13/62/58/1008136258.db2.gz AZTPEOSPQZQQSW-UHFFFAOYSA-N 1 0 408.502 3.849 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000539923768 1008186561 /nfs/dbraw/zinc/18/65/61/1008186561.db2.gz CPZAUJWJXDRKCZ-QUCCMNQESA-N 1 0 408.502 3.853 20 5 HHBDRO Cc1nccn1CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000518274028 1008235559 /nfs/dbraw/zinc/23/55/59/1008235559.db2.gz USPGPIDNQGYZIU-UHFFFAOYSA-N 1 0 402.458 3.742 20 5 HHBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)cc1 ZINC000518301229 1008249112 /nfs/dbraw/zinc/24/91/12/1008249112.db2.gz UZWUSZGWEZEQRM-UHFFFAOYSA-N 1 0 423.263 3.687 20 5 HHBDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000518370076 1008278923 /nfs/dbraw/zinc/27/89/23/1008278923.db2.gz CIDOVLVNWCITMY-UHFFFAOYSA-N 1 0 418.881 3.572 20 5 HHBDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1)CC(C)C ZINC000540214069 1008338748 /nfs/dbraw/zinc/33/87/48/1008338748.db2.gz UITXMHJWWRCLDL-UHFFFAOYSA-N 1 0 415.531 3.503 20 5 HHBDRO COc1ccc(S(=O)(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000540335494 1008385732 /nfs/dbraw/zinc/38/57/32/1008385732.db2.gz GBPLJCCKGCKNAH-HNNXBMFYSA-N 1 0 419.503 3.636 20 5 HHBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000540343719 1008390302 /nfs/dbraw/zinc/39/03/02/1008390302.db2.gz GSMZAGUFPXQSPA-HXUWFJFHSA-N 1 0 419.865 3.945 20 5 HHBDRO CCCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000540352561 1008394402 /nfs/dbraw/zinc/39/44/02/1008394402.db2.gz PQDKVQLSOIGCEX-OAHLLOKOSA-N 1 0 401.463 3.990 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000540354690 1008396232 /nfs/dbraw/zinc/39/62/32/1008396232.db2.gz RTJGPFMJRXFIIE-GFCCVEGCSA-N 1 0 416.865 3.886 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000540408377 1008420501 /nfs/dbraw/zinc/42/05/01/1008420501.db2.gz HXKCGIAWVVJLGR-OAHLLOKOSA-N 1 0 404.461 3.866 20 5 HHBDRO COc1cc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)C ZINC000518791276 1008422141 /nfs/dbraw/zinc/42/21/41/1008422141.db2.gz GVLYISZNNNSQHH-KXBFYZLASA-N 1 0 413.474 3.847 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000518833128 1008437900 /nfs/dbraw/zinc/43/79/00/1008437900.db2.gz ZOXDDCVVNIXGEX-SJKOYZFVSA-N 1 0 409.845 3.574 20 5 HHBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000518847733 1008443836 /nfs/dbraw/zinc/44/38/36/1008443836.db2.gz ZVUUBILUWZTQFU-HXUWFJFHSA-N 1 0 410.518 3.815 20 5 HHBDRO CCCc1n[nH]c(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c1[N+](=O)[O-] ZINC000518857558 1008448529 /nfs/dbraw/zinc/44/85/29/1008448529.db2.gz ILFHDQDRYGDTTL-HNNXBMFYSA-N 1 0 423.876 3.630 20 5 HHBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000519089221 1008527206 /nfs/dbraw/zinc/52/72/06/1008527206.db2.gz BPHSNQHQQQZSKQ-INIZCTEOSA-N 1 0 407.474 3.640 20 5 HHBDRO CCOC(=O)C1CCC([N@H+](CC)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000548944662 1008530643 /nfs/dbraw/zinc/53/06/43/1008530643.db2.gz FQPUAYJGWHHWRW-UHFFFAOYSA-N 1 0 411.886 3.631 20 5 HHBDRO Cc1cc(C(=O)NCC(=O)Nc2cccc3c2C[N@H+](CCC(C)C)C3)ccc1[N+](=O)[O-] ZINC000542982606 1008559486 /nfs/dbraw/zinc/55/94/86/1008559486.db2.gz RIJPIAADSYSZEE-UHFFFAOYSA-N 1 0 424.501 3.633 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000542985377 1008562894 /nfs/dbraw/zinc/56/28/94/1008562894.db2.gz FGMJSTNFYIXGCG-UHFFFAOYSA-N 1 0 417.959 3.771 20 5 HHBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])c1 ZINC000542985552 1008564108 /nfs/dbraw/zinc/56/41/08/1008564108.db2.gz BTFBAPQWFXBLDO-ZDUSSCGKSA-N 1 0 414.384 3.535 20 5 HHBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549049968 1008617186 /nfs/dbraw/zinc/61/71/86/1008617186.db2.gz NADTZIPSQNTIBY-IBGZPJMESA-N 1 0 420.517 3.832 20 5 HHBDRO COc1cc(-c2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)ccc1OCC[NH+](C)C ZINC000545577470 1008677443 /nfs/dbraw/zinc/67/74/43/1008677443.db2.gz MCALGBDNQXCZAC-LUAWRHEFSA-N 1 0 410.430 3.764 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000549130229 1008700856 /nfs/dbraw/zinc/70/08/56/1008700856.db2.gz GYEFYAQFWNAAHQ-MOJGAOKDSA-N 1 0 424.545 3.935 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549165503 1008738352 /nfs/dbraw/zinc/73/83/52/1008738352.db2.gz KOFGFAHMYAPCDV-OAQYLSRUSA-N 1 0 410.518 3.732 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000543172589 1008748035 /nfs/dbraw/zinc/74/80/35/1008748035.db2.gz IYXGKYPQOGBBOZ-AUUYWEPGSA-N 1 0 418.519 3.547 20 5 HHBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 ZINC000543182798 1008756547 /nfs/dbraw/zinc/75/65/47/1008756547.db2.gz YMBFVQNKGVGFSB-INIZCTEOSA-N 1 0 411.483 3.781 20 5 HHBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000519665787 1008949759 /nfs/dbraw/zinc/94/97/59/1008949759.db2.gz KZTGFIPSRRQHNI-OAHLLOKOSA-N 1 0 405.882 3.654 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000519885648 1009052754 /nfs/dbraw/zinc/05/27/54/1009052754.db2.gz PISKGKQXRVQUEC-MSOLQXFVSA-N 1 0 402.539 3.681 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000519891684 1009058402 /nfs/dbraw/zinc/05/84/02/1009058402.db2.gz NNKOJGSFMKMHFQ-RDJZCZTQSA-N 1 0 421.494 3.580 20 5 HHBDRO C[N@@H+]1CCC[C@]2(CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C2)C1 ZINC000549576887 1009200982 /nfs/dbraw/zinc/20/09/82/1009200982.db2.gz GOFDRGXSQCJYFQ-SFHVURJKSA-N 1 0 405.296 3.828 20 5 HHBDRO COc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)ccc1[N+](=O)[O-] ZINC000549615367 1009243329 /nfs/dbraw/zinc/24/33/29/1009243329.db2.gz DIZQTIGZUZTYJQ-LJQANCHMSA-N 1 0 411.502 3.944 20 5 HHBDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3F)CC[N@@H+]2C2CC2)c1 ZINC000543640929 1009245112 /nfs/dbraw/zinc/24/51/12/1009245112.db2.gz ACZQHBFSLJHNOI-VQTJNVASSA-N 1 0 414.437 3.842 20 5 HHBDRO COc1cc(CN[C@@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000520227069 1009352113 /nfs/dbraw/zinc/35/21/13/1009352113.db2.gz COOBOMMFVKTOIQ-CQSZACIVSA-N 1 0 417.428 3.651 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000520445582 1009558802 /nfs/dbraw/zinc/55/88/02/1009558802.db2.gz DVWAKVAYSOJQKI-MRXNPFEDSA-N 1 0 417.893 3.750 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)c1 ZINC000520524006 1009613851 /nfs/dbraw/zinc/61/38/51/1009613851.db2.gz XMFPVKWBIAHOSZ-ZBFHGGJFSA-N 1 0 408.857 3.834 20 5 HHBDRO COc1ccccc1[C@H](CC(C)C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544117777 1009726459 /nfs/dbraw/zinc/72/64/59/1009726459.db2.gz SDOIIWAALBIUSY-IBGZPJMESA-N 1 0 406.504 3.754 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000550166246 1009747130 /nfs/dbraw/zinc/74/71/30/1009747130.db2.gz DEADJPVKSPDHKX-UHFFFAOYSA-N 1 0 407.854 3.840 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000550180315 1009757655 /nfs/dbraw/zinc/75/76/55/1009757655.db2.gz LSILJRUGJAKWCD-UHFFFAOYSA-N 1 0 415.465 3.752 20 5 HHBDRO C[NH+](C)CCOc1ccccc1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544228393 1009840389 /nfs/dbraw/zinc/84/03/89/1009840389.db2.gz XFOZRJZMQTZDCI-UHFFFAOYSA-N 1 0 423.922 3.597 20 5 HHBDRO C[NH+](C)CCOc1ccc(-c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000547000340 1009956272 /nfs/dbraw/zinc/95/62/72/1009956272.db2.gz OPCMLIYOXVLNEH-UHFFFAOYSA-N 1 0 402.838 3.829 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1-c1noc(-c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000547008176 1009964519 /nfs/dbraw/zinc/96/45/19/1009964519.db2.gz NVQCVVXAXBZXPG-UHFFFAOYSA-N 1 0 414.466 3.879 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000544369025 1009997304 /nfs/dbraw/zinc/99/73/04/1009997304.db2.gz WFVXIXBGTQGSAG-LBPRGKRZSA-N 1 0 422.279 3.873 20 5 HHBDRO CN1CCN(c2ncccc2C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000520962912 1010008466 /nfs/dbraw/zinc/00/84/66/1010008466.db2.gz ZJCDYSYQMZFJFM-UHFFFAOYSA-N 1 0 423.542 3.760 20 5 HHBDRO O=C(c1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1)N1CCOCC1 ZINC000520961978 1010008682 /nfs/dbraw/zinc/00/86/82/1010008682.db2.gz LEVWLFQNOOAVTN-UHFFFAOYSA-N 1 0 421.453 3.617 20 5 HHBDRO COCCC[NH+]1CCC(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000520964178 1010009197 /nfs/dbraw/zinc/00/91/97/1010009197.db2.gz KCBGPUJPRPVLBZ-UHFFFAOYSA-N 1 0 412.534 3.953 20 5 HHBDRO C[NH+]1CCN(c2ccccc2-c2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)CC1 ZINC000547123347 1010075873 /nfs/dbraw/zinc/07/58/73/1010075873.db2.gz LGXDBUAHMFZXKF-VQHVLOKHSA-N 1 0 409.421 3.706 20 5 HHBDRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000544462777 1010086832 /nfs/dbraw/zinc/08/68/32/1010086832.db2.gz BTIQPQBMYMNTEN-MRXNPFEDSA-N 1 0 415.465 3.581 20 5 HHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000547191588 1010134469 /nfs/dbraw/zinc/13/44/69/1010134469.db2.gz PGLMJJHMITXOKA-ZDUSSCGKSA-N 1 0 415.475 3.834 20 5 HHBDRO COc1cc(Cc2noc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)ccc1[N+](=O)[O-] ZINC000547196593 1010140078 /nfs/dbraw/zinc/14/00/78/1010140078.db2.gz XZXLULDRFFWFJV-SFHVURJKSA-N 1 0 408.458 3.957 20 5 HHBDRO COc1ccc([C@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)cc1 ZINC000544532688 1010161556 /nfs/dbraw/zinc/16/15/56/1010161556.db2.gz LCVFZYVPBZHUNU-VFNWGFHPSA-N 1 0 415.465 3.799 20 5 HHBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000544538930 1010168132 /nfs/dbraw/zinc/16/81/32/1010168132.db2.gz ZVJMYTOTLZWDME-VFNWGFHPSA-N 1 0 415.465 3.799 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000544575391 1010204034 /nfs/dbraw/zinc/20/40/34/1010204034.db2.gz GWZONNFNEQMBLE-RXVVDRJESA-N 1 0 418.515 3.787 20 5 HHBDRO Cc1c(NC(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000521205899 1010229060 /nfs/dbraw/zinc/22/90/60/1010229060.db2.gz JVGQBSFZLRKPHY-OAHLLOKOSA-N 1 0 415.469 3.677 20 5 HHBDRO CC[N@H+](CCC1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1)CC(C)C ZINC000544727744 1010334268 /nfs/dbraw/zinc/33/42/68/1010334268.db2.gz PDKRCDDPGYEBQN-UHFFFAOYSA-N 1 0 411.568 3.505 20 5 HHBDRO COCCC1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCCC1 ZINC000521695262 1010557057 /nfs/dbraw/zinc/55/70/57/1010557057.db2.gz NOXDBOJOYPTKHR-UHFFFAOYSA-N 1 0 418.275 3.886 20 5 HHBDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000548395091 1010612641 /nfs/dbraw/zinc/61/26/41/1010612641.db2.gz GTFQAKYEIYIYIX-FPOVZHCZSA-N 1 0 402.516 3.820 20 5 HHBDRO C[NH+]1CCN(c2cccc(-c3noc(-c4cc5cc([N+](=O)[O-])ccc5s4)n3)n2)CC1 ZINC000545127831 1010632867 /nfs/dbraw/zinc/63/28/67/1010632867.db2.gz TYNJTEGSAPTZHP-UHFFFAOYSA-N 1 0 422.470 3.673 20 5 HHBDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000521881644 1010683576 /nfs/dbraw/zinc/68/35/76/1010683576.db2.gz MSCXGGMIIFBVRW-CYBMUJFWSA-N 1 0 411.911 3.656 20 5 HHBDRO C[C@@H]([NH2+]C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCCC1)c1ccccc1 ZINC000521904309 1010699033 /nfs/dbraw/zinc/69/90/33/1010699033.db2.gz GACGGHGQXNTHIL-CQSZACIVSA-N 1 0 400.454 3.710 20 5 HHBDRO COc1cc(NC(=O)CC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000548926737 1010763808 /nfs/dbraw/zinc/76/38/08/1010763808.db2.gz ARLSWTNBQUSGKO-UHFFFAOYSA-N 1 0 421.881 3.769 20 5 HHBDRO CC[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000545397515 1010772619 /nfs/dbraw/zinc/77/26/19/1010772619.db2.gz OZSCMOSLFRWUJS-LJQANCHMSA-N 1 0 407.474 3.741 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](COc1ccccc1F)C(C)(C)C ZINC000540589229 1011244693 /nfs/dbraw/zinc/24/46/93/1011244693.db2.gz RIVRUXHOOGYTNN-IBGZPJMESA-N 1 0 419.453 3.764 20 5 HHBDRO O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000540600146 1011254582 /nfs/dbraw/zinc/25/45/82/1011254582.db2.gz CIDHLOSUEBJQGX-UHFFFAOYSA-N 1 0 422.485 3.639 20 5 HHBDRO Cc1cc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000522916385 1011363520 /nfs/dbraw/zinc/36/35/20/1011363520.db2.gz YGSQVACPQOIEON-UHFFFAOYSA-N 1 0 417.893 3.830 20 5 HHBDRO CCOc1ccc([C@H](C)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1[N+](=O)[O-] ZINC000540749364 1011401817 /nfs/dbraw/zinc/40/18/17/1011401817.db2.gz BVLITTSGGWZMCG-HNAYVOBHSA-N 1 0 412.490 3.616 20 5 HHBDRO O=C(CCc1ccccc1)N1CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000540757696 1011409697 /nfs/dbraw/zinc/40/96/97/1011409697.db2.gz AEVIRKRBQQTQQS-YADHBBJMSA-N 1 0 407.514 3.739 20 5 HHBDRO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000536349792 1011556635 /nfs/dbraw/zinc/55/66/35/1011556635.db2.gz QYDYCAJETQCGOD-FUHWJXTLSA-N 1 0 418.291 3.841 20 5 HHBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCSc2ccc(Br)cc21 ZINC000536377578 1011585405 /nfs/dbraw/zinc/58/54/05/1011585405.db2.gz HKTWLFIMAVYURY-OAHLLOKOSA-N 1 0 424.320 3.688 20 5 HHBDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000536505351 1011707789 /nfs/dbraw/zinc/70/77/89/1011707789.db2.gz ICJMJKLABQZEJC-UHFFFAOYSA-N 1 0 402.520 3.558 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536583952 1011746529 /nfs/dbraw/zinc/74/65/29/1011746529.db2.gz FFRLLIFFRFFATA-UHFFFAOYSA-N 1 0 413.478 3.769 20 5 HHBDRO O=[N+]([O-])c1ccc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)cc1OC(F)F ZINC000536646876 1011796011 /nfs/dbraw/zinc/79/60/11/1011796011.db2.gz WHOFOJYNKXTWGU-UHFFFAOYSA-N 1 0 411.434 3.741 20 5 HHBDRO CCOc1cc(C[N@@H+]2C[C@H](C)C[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000536659434 1011807268 /nfs/dbraw/zinc/80/72/68/1011807268.db2.gz CXPFMGRXWYWAKA-HZPDHXFCSA-N 1 0 402.495 3.808 20 5 HHBDRO CCOc1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000536659433 1011807311 /nfs/dbraw/zinc/80/73/11/1011807311.db2.gz CXPFMGRXWYWAKA-HOTGVXAUSA-N 1 0 402.495 3.808 20 5 HHBDRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000541194631 1011865272 /nfs/dbraw/zinc/86/52/72/1011865272.db2.gz HKRPTWUWBBEOST-ZDUSSCGKSA-N 1 0 411.487 3.965 20 5 HHBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000523392644 1011870051 /nfs/dbraw/zinc/87/00/51/1011870051.db2.gz XWWKLEITRPGULO-UHFFFAOYSA-N 1 0 403.526 3.632 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000536702030 1011871738 /nfs/dbraw/zinc/87/17/38/1011871738.db2.gz ZOBWXIZRJZYJFN-MRXNPFEDSA-N 1 0 412.490 3.681 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cc1[N+](=O)[O-] ZINC000551811816 1011969504 /nfs/dbraw/zinc/96/95/04/1011969504.db2.gz HCHQVFDINMQVTK-IQMFZBJNSA-N 1 0 422.485 3.979 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000541281150 1011974025 /nfs/dbraw/zinc/97/40/25/1011974025.db2.gz DMSNZAGYZROXDY-QGZVFWFLSA-N 1 0 411.433 3.744 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000536806271 1012028827 /nfs/dbraw/zinc/02/88/27/1012028827.db2.gz KXFPFYCWXSKOFX-INIZCTEOSA-N 1 0 403.504 3.539 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000552061781 1012080179 /nfs/dbraw/zinc/08/01/79/1012080179.db2.gz ZZNJRTLMUBTSCS-VGOFRKELSA-N 1 0 420.517 3.628 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000552076605 1012093209 /nfs/dbraw/zinc/09/32/09/1012093209.db2.gz ZWNFRMFOAXDTTM-OXQOHEQNSA-N 1 0 400.475 3.918 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000536867712 1012106932 /nfs/dbraw/zinc/10/69/32/1012106932.db2.gz FNRJNTWIFOEXSL-JOCLIGHLSA-N 1 0 409.486 3.801 20 5 HHBDRO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552097215 1012113938 /nfs/dbraw/zinc/11/39/38/1012113938.db2.gz WSIDSKBSHLSYMS-LSDHHAIUSA-N 1 0 423.560 3.788 20 5 HHBDRO COc1ccc(C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000536883135 1012131394 /nfs/dbraw/zinc/13/13/94/1012131394.db2.gz OXSDHGYVWQCRIM-CQSZACIVSA-N 1 0 405.882 3.784 20 5 HHBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000552116123 1012134301 /nfs/dbraw/zinc/13/43/01/1012134301.db2.gz AMODAEVSWMQTHZ-NFAWXSAZSA-N 1 0 415.943 3.583 20 5 HHBDRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000552199042 1012211256 /nfs/dbraw/zinc/21/12/56/1012211256.db2.gz LPPGENJFBYJHCF-SFHVURJKSA-N 1 0 424.482 3.537 20 5 HHBDRO Cn1ccnc1[C@@H](N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552223999 1012236711 /nfs/dbraw/zinc/23/67/11/1012236711.db2.gz BCMKZATXQQULKT-UNMCSNQZSA-N 1 0 405.502 3.672 20 5 HHBDRO Cn1ccnc1[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552248536 1012259426 /nfs/dbraw/zinc/25/94/26/1012259426.db2.gz KMQBSTNTEVKCTO-REWPJTCUSA-N 1 0 419.529 3.572 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)C1 ZINC000523721279 1012332289 /nfs/dbraw/zinc/33/22/89/1012332289.db2.gz UWFDQPPEZCWUKP-PBHICJAKSA-N 1 0 405.520 3.676 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000541553824 1012342060 /nfs/dbraw/zinc/34/20/60/1012342060.db2.gz NCEWIMGFZCKQHO-SJORKVTESA-N 1 0 423.469 3.691 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000537052545 1012379912 /nfs/dbraw/zinc/37/99/12/1012379912.db2.gz JRAKZYLVNKGXCA-HNNXBMFYSA-N 1 0 410.474 3.931 20 5 HHBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1-c1ccc(Cl)cc1 ZINC000537114629 1012489507 /nfs/dbraw/zinc/48/95/07/1012489507.db2.gz AVFPOJIMQUBICT-RDTXWAMCSA-N 1 0 400.866 3.823 20 5 HHBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(OCC2CC2)c(F)c1 ZINC000537122941 1012504186 /nfs/dbraw/zinc/50/41/86/1012504186.db2.gz VURHNCRFTFIUEY-AWEZNQCLSA-N 1 0 413.449 3.763 20 5 HHBDRO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(F)c1 ZINC000537123628 1012506915 /nfs/dbraw/zinc/50/69/15/1012506915.db2.gz AIXBOMNOXBPUFU-IBGZPJMESA-N 1 0 403.410 3.778 20 5 HHBDRO O=C(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000537132700 1012517426 /nfs/dbraw/zinc/51/74/26/1012517426.db2.gz MSYCMTSHEDJJGS-KUHUBIRLSA-N 1 0 403.866 3.944 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000537170427 1012573994 /nfs/dbraw/zinc/57/39/94/1012573994.db2.gz UCXHAMQSCAHQLP-MOPGFXCFSA-N 1 0 421.563 3.593 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000537175839 1012582953 /nfs/dbraw/zinc/58/29/53/1012582953.db2.gz CWCBUPHIKZFZGC-INIZCTEOSA-N 1 0 412.490 3.883 20 5 HHBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523889092 1012593581 /nfs/dbraw/zinc/59/35/81/1012593581.db2.gz GUHHPTABKFWHIK-UHFFFAOYSA-N 1 0 417.893 3.929 20 5 HHBDRO Cc1ccc(-c2ncc(C[NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000541760994 1012623288 /nfs/dbraw/zinc/62/32/88/1012623288.db2.gz NWEUBNBXALEFRK-UHFFFAOYSA-N 1 0 417.512 3.590 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000541776546 1012644197 /nfs/dbraw/zinc/64/41/97/1012644197.db2.gz XZSNXYSRNPXMGF-QGZVFWFLSA-N 1 0 409.364 3.697 20 5 HHBDRO O=C(C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000537290509 1012749133 /nfs/dbraw/zinc/74/91/33/1012749133.db2.gz OHRODPIBXBHTLA-FQEVSTJZSA-N 1 0 417.849 3.699 20 5 HHBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000552816437 1012824379 /nfs/dbraw/zinc/82/43/79/1012824379.db2.gz QCHJKRAONNZSBJ-KUHUBIRLSA-N 1 0 403.504 3.503 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000542032065 1012929520 /nfs/dbraw/zinc/92/95/20/1012929520.db2.gz HGIHJSNBGVYOIE-SFHVURJKSA-N 1 0 413.478 3.517 20 5 HHBDRO CCN(CC)C(=O)CCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000542041094 1012943458 /nfs/dbraw/zinc/94/34/58/1012943458.db2.gz DZXFDZBDZRQLDJ-UHFFFAOYSA-N 1 0 418.538 3.592 20 5 HHBDRO C[NH+](C)CCOc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)cc1Cl ZINC000524195275 1013001300 /nfs/dbraw/zinc/00/13/00/1013001300.db2.gz WSJMQNNKEOXGGX-UHFFFAOYSA-N 1 0 402.838 3.922 20 5 HHBDRO C[C@@H](c1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1)N1CCOCC1 ZINC000565720621 1072606268 /nfs/dbraw/zinc/60/62/68/1072606268.db2.gz RKXPITYAFQSPDW-KRWDZBQOSA-N 1 0 412.490 3.694 20 5 HHBDRO CCOC(=O)C1CCC([N@H+](CC)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000554855323 1072904632 /nfs/dbraw/zinc/90/46/32/1072904632.db2.gz NKAKVNYYGXSGME-UHFFFAOYSA-N 1 0 405.495 3.676 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@H]2c3ccccc3CC23CCOCC3)cccc1[N+](=O)[O-] ZINC000572082033 1073126682 /nfs/dbraw/zinc/12/66/82/1073126682.db2.gz QXSZVHXBHLPQIN-QFIPXVFZSA-N 1 0 409.486 3.916 20 5 HHBDRO C[C@H]1C[C@@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000588930583 1073346754 /nfs/dbraw/zinc/34/67/54/1073346754.db2.gz NVKCDHTYXUWTBX-RDJZCZTQSA-N 1 0 417.456 3.927 20 5 HHBDRO CC(C)Oc1ccc([C@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)N(C)C)cc1 ZINC000588929716 1073347670 /nfs/dbraw/zinc/34/76/70/1073347670.db2.gz AZOFQSOUWUDXGB-FQEVSTJZSA-N 1 0 415.490 3.546 20 5 HHBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000588959578 1073358911 /nfs/dbraw/zinc/35/89/11/1073358911.db2.gz HVLSQBWOBRJKSX-GFCCVEGCSA-N 1 0 405.451 3.512 20 5 HHBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 ZINC000760761402 1073454597 /nfs/dbraw/zinc/45/45/97/1073454597.db2.gz HQJWBFWXLAFCCI-NSHDSACASA-N 1 0 404.692 3.567 20 5 HHBDRO CC[NH+]1CCC(Nc2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000600082751 1073494069 /nfs/dbraw/zinc/49/40/69/1073494069.db2.gz IIQBCQYVTMKNKA-UHFFFAOYSA-N 1 0 411.458 3.509 20 5 HHBDRO C[NH+](C)CCCOc1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000590117088 1073564796 /nfs/dbraw/zinc/56/47/96/1073564796.db2.gz QDWOBYHHZLOQQH-UHFFFAOYSA-N 1 0 400.479 3.982 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000555605692 1073670406 /nfs/dbraw/zinc/67/04/06/1073670406.db2.gz JUILNRCIFJHEJS-RDTXWAMCSA-N 1 0 401.438 3.584 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000572946533 1073880533 /nfs/dbraw/zinc/88/05/33/1073880533.db2.gz OFSNWEZCZSGHMU-RZQQEMMASA-N 1 0 413.474 3.688 20 5 HHBDRO COc1ccc(C[NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)cc1[N+](=O)[O-] ZINC000555912007 1073953302 /nfs/dbraw/zinc/95/33/02/1073953302.db2.gz PFWNLFMJYQDWPS-KRWDZBQOSA-N 1 0 405.454 3.862 20 5 HHBDRO COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000574612395 1075302015 /nfs/dbraw/zinc/30/20/15/1075302015.db2.gz XHSYEQRPFJOZKJ-KNQAVFIVSA-N 1 0 400.475 3.573 20 5 HHBDRO O=[N+]([O-])c1ccc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1Cl ZINC001164413948 718880127 /nfs/dbraw/zinc/88/01/27/718880127.db2.gz OZONKJGASVHXNF-LLVKDONJSA-N 1 0 414.762 3.841 20 5 HHBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627211 719068141 /nfs/dbraw/zinc/06/81/41/719068141.db2.gz PWKRWBLEKOVMLE-KGLIPLIRSA-N 1 0 408.289 3.792 20 5 HHBDRO CN(C)/C=C\c1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001164625994 719096603 /nfs/dbraw/zinc/09/66/03/719096603.db2.gz HWKPKRFNTXTCKP-AVVSJUPMSA-N 1 0 407.518 3.623 20 5 HHBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3ccc4cccnc4c3n1)C2 ZINC001164809780 720089781 /nfs/dbraw/zinc/08/97/81/720089781.db2.gz KFFRWZUJEQUABA-SQJMNOBHSA-N 1 0 402.542 3.968 20 5 HHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)CC[C@@H]21 ZINC001164835045 720529098 /nfs/dbraw/zinc/52/90/98/720529098.db2.gz GUCGAAKNSQOPRK-VCOUNFBDSA-N 1 0 420.517 3.717 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC001164841993 720662803 /nfs/dbraw/zinc/66/28/03/720662803.db2.gz RNKBTOUYTOQLST-GOSISDBHSA-N 1 0 416.909 3.903 20 5 HHBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164793168 721492120 /nfs/dbraw/zinc/49/21/20/721492120.db2.gz OPSLGVKIWUWVRG-UHFFFAOYSA-N 1 0 416.913 3.623 20 5 HHBDRO Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164901283 721521947 /nfs/dbraw/zinc/52/19/47/721521947.db2.gz WIQOFAWFOICVAO-ICSRJNTNSA-N 1 0 422.460 3.932 20 5 HHBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c2ccccc21 ZINC001164903987 721529599 /nfs/dbraw/zinc/52/95/99/721529599.db2.gz DPPUTCSVJDRYBV-FUHWJXTLSA-N 1 0 408.433 3.624 20 5 HHBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908815 721544205 /nfs/dbraw/zinc/54/42/05/721544205.db2.gz QRFHYXMMNYWDEF-MJGOQNOKSA-N 1 0 408.433 3.624 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC001165028109 721809953 /nfs/dbraw/zinc/80/99/53/721809953.db2.gz WCVXULWOXDTJJZ-XUEUYAKLSA-N 1 0 418.501 3.670 20 5 HHBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(Cl)ncc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164940910 721922846 /nfs/dbraw/zinc/92/28/46/721922846.db2.gz WGTCZEYVGGMBQF-UHFFFAOYSA-N 1 0 416.909 3.823 20 5 HHBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952904 722015206 /nfs/dbraw/zinc/01/52/06/722015206.db2.gz ORHVWJBUVZKNNR-UHFFFAOYSA-N 1 0 423.304 3.579 20 5 HHBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301142627 970767973 /nfs/dbraw/zinc/76/79/73/970767973.db2.gz HBPFUHDPAGEGNY-UHFFFAOYSA-N 1 0 407.474 3.592 20 5 HHBDRO C[NH+](C)[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccccc1 ZINC000301186009 970794891 /nfs/dbraw/zinc/79/48/91/970794891.db2.gz PJCRSCGSCQRKEQ-GOSISDBHSA-N 1 0 413.865 3.509 20 5 HHBDRO CNC(=O)c1ccc(NCC2CC[NH+](Cc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000301207549 970808091 /nfs/dbraw/zinc/80/80/91/970808091.db2.gz UIHUVFDRYFIODX-UHFFFAOYSA-N 1 0 416.909 3.932 20 5 HHBDRO CNC(=O)c1ccc(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 ZINC000301300284 970856169 /nfs/dbraw/zinc/85/61/69/970856169.db2.gz UQLCDACQABPJJM-INIZCTEOSA-N 1 0 422.407 3.660 20 5 HHBDRO C[C@@H]1C[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301525860 970967370 /nfs/dbraw/zinc/96/73/70/970967370.db2.gz HSKKORCKYQRLNQ-UZLBHIALSA-N 1 0 408.502 3.952 20 5 HHBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1Br ZINC000301544177 970973412 /nfs/dbraw/zinc/97/34/12/970973412.db2.gz OTLWRLYSMPEIAC-HNNXBMFYSA-N 1 0 405.296 3.711 20 5 HHBDRO CC(C)NC(=O)c1ccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000301568035 970983362 /nfs/dbraw/zinc/98/33/62/970983362.db2.gz XABXMZPVLJFTPX-SFHVURJKSA-N 1 0 402.539 3.825 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000301606638 970999323 /nfs/dbraw/zinc/99/93/23/970999323.db2.gz YYVRMHBDMBIOLN-JXFKEZNVSA-N 1 0 408.502 3.810 20 5 HHBDRO C[C@@H]1C[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000301611803 971002150 /nfs/dbraw/zinc/00/21/50/971002150.db2.gz FBXNIDGXMOTHCH-APWZRJJASA-N 1 0 419.485 3.634 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301939006 971126212 /nfs/dbraw/zinc/12/62/12/971126212.db2.gz SOUUZVDAWPYIQQ-AWEZNQCLSA-N 1 0 423.560 3.904 20 5 HHBDRO C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302039213 971158221 /nfs/dbraw/zinc/15/82/21/971158221.db2.gz HDNCUQHDYABLKV-CHWSQXEVSA-N 1 0 417.478 3.656 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1 ZINC000302056261 971164627 /nfs/dbraw/zinc/16/46/27/971164627.db2.gz AKNGCOUXDJYWES-UHFFFAOYSA-N 1 0 416.453 3.795 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302071118 971168654 /nfs/dbraw/zinc/16/86/54/971168654.db2.gz YLNPYFOPRLXPKE-NVXWUHKLSA-N 1 0 411.506 3.624 20 5 HHBDRO Cc1cc(N2CCCN(C(=O)c3ccc(F)cc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302177071 971197183 /nfs/dbraw/zinc/19/71/83/971197183.db2.gz NBJKVKWWULNUCJ-UHFFFAOYSA-N 1 0 408.433 3.943 20 5 HHBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000302383093 971230251 /nfs/dbraw/zinc/23/02/51/971230251.db2.gz ZTJUGKQUYXJXPX-IAGOWNOFSA-N 1 0 402.539 3.680 20 5 HHBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000302673200 971276275 /nfs/dbraw/zinc/27/62/75/971276275.db2.gz SMGUNVWGQIHAMD-AYHJJNSGSA-N 1 0 415.515 3.606 20 5 HHBDRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000303017898 971457467 /nfs/dbraw/zinc/45/74/67/971457467.db2.gz LAMVVZRRKJPSSN-UHFFFAOYSA-N 1 0 407.474 3.777 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)c1 ZINC000303182372 971546537 /nfs/dbraw/zinc/54/65/37/971546537.db2.gz KYWWPYLENRCXOF-OAQYLSRUSA-N 1 0 412.486 3.714 20 5 HHBDRO O=C(C[N@@H+](CCCO)[C@H]1CCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000303575158 971866701 /nfs/dbraw/zinc/86/67/01/971866701.db2.gz PRBPFYSQWXCURW-IBGZPJMESA-N 1 0 403.866 3.559 20 5 HHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000303739266 971993234 /nfs/dbraw/zinc/99/32/34/971993234.db2.gz HVPMNXPNARCTJD-ZBFHGGJFSA-N 1 0 419.445 3.628 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303753040 972005387 /nfs/dbraw/zinc/00/53/87/972005387.db2.gz CHZJIRSJMIIAED-MJGOQNOKSA-N 1 0 417.531 3.577 20 5 HHBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000553171291 1013132296 /nfs/dbraw/zinc/13/22/96/1013132296.db2.gz UJFUPXCPZVBUNH-UHFFFAOYSA-N 1 0 402.454 3.613 20 5 HHBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000553176230 1013137674 /nfs/dbraw/zinc/13/76/74/1013137674.db2.gz VGCFIEVNGQXHNW-BBRMVZONSA-N 1 0 411.452 3.658 20 5 HHBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000537614706 1013153758 /nfs/dbraw/zinc/15/37/58/1013153758.db2.gz CBQCVXHBDPDNIA-UKRRQHHQSA-N 1 0 419.444 3.707 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]CC[C@H]1CCOC1)c1ccccc1 ZINC000542211835 1013158555 /nfs/dbraw/zinc/15/85/55/1013158555.db2.gz SGTVEVCQUODPSA-IFXJQAMLSA-N 1 0 403.866 3.944 20 5 HHBDRO Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000542212530 1013158754 /nfs/dbraw/zinc/15/87/54/1013158754.db2.gz OVUSOMPANQXONR-GOSISDBHSA-N 1 0 407.470 3.914 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000303863761 972405930 /nfs/dbraw/zinc/40/59/30/972405930.db2.gz MIBYNNZELFWWSZ-XYJFISCASA-N 1 0 411.506 3.718 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC)c1ccsc1 ZINC000542245081 1013203857 /nfs/dbraw/zinc/20/38/57/1013203857.db2.gz WQSAJQKBHDDFAS-KRWDZBQOSA-N 1 0 406.508 3.547 20 5 HHBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000007314037 961121418 /nfs/dbraw/zinc/12/14/18/961121418.db2.gz LPFUASQCFGAIAT-UHFFFAOYSA-N 1 0 408.502 3.721 20 5 HHBDRO COc1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537709526 1013275751 /nfs/dbraw/zinc/27/57/51/1013275751.db2.gz GVHVIKHWMDKXQF-ICSRJNTNSA-N 1 0 400.475 3.775 20 5 HHBDRO O=[N+]([O-])c1cnc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(Br)c1 ZINC000553337798 1013283214 /nfs/dbraw/zinc/28/32/14/1013283214.db2.gz VPPHNEBOJTXORG-IBGZPJMESA-N 1 0 417.307 3.855 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)[NH+]2CCCCC2)cc1 ZINC000010447131 961824525 /nfs/dbraw/zinc/82/45/25/961824525.db2.gz XXNFEZCFKJEGOY-HXUWFJFHSA-N 1 0 413.474 3.569 20 5 HHBDRO CC1(C)CC(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000011422758 962082011 /nfs/dbraw/zinc/08/20/11/962082011.db2.gz ATXBZZWJRBLBFQ-UHFFFAOYSA-N 1 0 416.444 3.841 20 5 HHBDRO COC(=O)C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCCC1 ZINC000542532723 1013476459 /nfs/dbraw/zinc/47/64/59/1013476459.db2.gz LLYZWMKWMIADKT-GOSISDBHSA-N 1 0 401.463 3.894 20 5 HHBDRO O=C(CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000025072292 964164111 /nfs/dbraw/zinc/16/41/11/964164111.db2.gz ZWBBAJSEOHVASH-UHFFFAOYSA-N 1 0 420.872 3.534 20 5 HHBDRO O=C(C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026923638 964724287 /nfs/dbraw/zinc/72/42/87/964724287.db2.gz CDIFGQXWIUTLCC-SFHVURJKSA-N 1 0 419.437 3.836 20 5 HHBDRO COc1ccc2oc([C@@H](C)[NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)c2c1 ZINC000542582036 1013523132 /nfs/dbraw/zinc/52/31/32/1013523132.db2.gz BNDXAGOMVYAGBT-CQSZACIVSA-N 1 0 418.471 3.783 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000537942091 1013525771 /nfs/dbraw/zinc/52/57/71/1013525771.db2.gz OPYJOCZEHCGWOU-MPKWNAGQSA-N 1 0 403.429 3.756 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000027236887 964827468 /nfs/dbraw/zinc/82/74/68/964827468.db2.gz JVKKBUUZJBQMFM-IBGZPJMESA-N 1 0 414.458 3.508 20 5 HHBDRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)oc21 ZINC000542587904 1013528301 /nfs/dbraw/zinc/52/83/01/1013528301.db2.gz ZCGIQLOOCXTZAS-RHSMWYFYSA-N 1 0 400.431 3.830 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000537946391 1013529325 /nfs/dbraw/zinc/52/93/25/1013529325.db2.gz CWOUTJMEWXWSPO-SJKOYZFVSA-N 1 0 411.380 3.654 20 5 HHBDRO CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000028006624 965019797 /nfs/dbraw/zinc/01/97/97/965019797.db2.gz PURTYFLRNLQFBZ-UHFFFAOYSA-N 1 0 418.881 3.651 20 5 HHBDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000537973300 1013550203 /nfs/dbraw/zinc/55/02/03/1013550203.db2.gz DTBIAFKGNBTMSC-LBPRGKRZSA-N 1 0 407.854 3.772 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000053488195 965195025 /nfs/dbraw/zinc/19/50/25/965195025.db2.gz XXZPQVNSSDUXHJ-UHFFFAOYSA-N 1 0 417.893 3.716 20 5 HHBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000029177330 965298565 /nfs/dbraw/zinc/29/85/65/965298565.db2.gz CEIOVUKRYPQJPI-HXUWFJFHSA-N 1 0 408.502 3.762 20 5 HHBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000054032685 965361582 /nfs/dbraw/zinc/36/15/82/965361582.db2.gz FOMXTNHHLOSVAJ-UHFFFAOYSA-N 1 0 407.474 3.552 20 5 HHBDRO COC(=O)c1ccccc1C(=O)c1ccc(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000029412439 965371410 /nfs/dbraw/zinc/37/14/10/965371410.db2.gz XSNGANBSZOOULS-UHFFFAOYSA-N 1 0 423.469 3.651 20 5 HHBDRO O=C(Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000057274345 965381743 /nfs/dbraw/zinc/38/17/43/965381743.db2.gz CAVQXZPCGFRYCF-UHFFFAOYSA-N 1 0 417.469 3.564 20 5 HHBDRO CCOc1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000054225075 965435157 /nfs/dbraw/zinc/43/51/57/965435157.db2.gz TUUDPZACNUHJLR-DOTOQJQBSA-N 1 0 413.474 3.567 20 5 HHBDRO O=C(CN1CCC[N@H+](CC2CCCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000054318059 965476087 /nfs/dbraw/zinc/47/60/87/965476087.db2.gz AQZPWFFTFNRPGN-UHFFFAOYSA-N 1 0 408.930 3.775 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)COc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000057586844 965502005 /nfs/dbraw/zinc/50/20/05/965502005.db2.gz OAONIFXVLUXHJY-HDICACEKSA-N 1 0 411.502 3.768 20 5 HHBDRO CC(C)[C@H](CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000029839971 965518923 /nfs/dbraw/zinc/51/89/23/965518923.db2.gz PYFXCEUBMIZIAA-QFIPXVFZSA-N 1 0 410.518 3.510 20 5 HHBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000030555721 965727377 /nfs/dbraw/zinc/72/73/77/965727377.db2.gz KHBNLQHQANOZGU-UHFFFAOYSA-N 1 0 408.502 3.721 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000059408632 966022832 /nfs/dbraw/zinc/02/28/32/966022832.db2.gz JTSYKORWMMVJGU-HDICACEKSA-N 1 0 411.502 3.768 20 5 HHBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000055757664 966053068 /nfs/dbraw/zinc/05/30/68/966053068.db2.gz OPQGUQQVTGTTSR-HZSPNIEDSA-N 1 0 417.428 3.632 20 5 HHBDRO CC[NH+](CC)CCn1c2ccccc2[nH]c1=NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000060392181 966128151 /nfs/dbraw/zinc/12/81/51/966128151.db2.gz XYKXQMCDPCQFPQ-UHFFFAOYSA-N 1 0 415.881 3.614 20 5 HHBDRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000056153850 966236957 /nfs/dbraw/zinc/23/69/57/966236957.db2.gz KGWHGYCQAWNJIM-GJZGRUSLSA-N 1 0 401.463 3.907 20 5 HHBDRO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196043 966254615 /nfs/dbraw/zinc/25/46/15/966254615.db2.gz VXXOEKPKMCNIOE-SOUVJXGZSA-N 1 0 401.463 3.529 20 5 HHBDRO CC[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000032446667 966257449 /nfs/dbraw/zinc/25/74/49/966257449.db2.gz SOAMKRNBCWSAGI-NRFANRHFSA-N 1 0 410.518 3.740 20 5 HHBDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000060789924 966290201 /nfs/dbraw/zinc/29/02/01/966290201.db2.gz CEWLJOLRPGILGX-UHFFFAOYSA-N 1 0 418.881 3.572 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000032666788 966306288 /nfs/dbraw/zinc/30/62/88/966306288.db2.gz IFZXPHADQJBZMQ-LJQANCHMSA-N 1 0 413.503 3.655 20 5 HHBDRO Cn1cc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000056337854 966307183 /nfs/dbraw/zinc/30/71/83/966307183.db2.gz VZIHXIAPFYDDLA-UHFFFAOYSA-N 1 0 419.485 3.886 20 5 HHBDRO COc1cc(C(=O)NC[C@H](C)[NH+](C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000033093293 966368325 /nfs/dbraw/zinc/36/83/25/966368325.db2.gz PDTZMCYSUDQVMY-LBPRGKRZSA-N 1 0 407.854 3.729 20 5 HHBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000041400612 966557144 /nfs/dbraw/zinc/55/71/44/966557144.db2.gz RWTHXQYJAHWJMJ-GOSISDBHSA-N 1 0 403.866 3.580 20 5 HHBDRO Cc1c(NC(=O)C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cccc1[N+](=O)[O-] ZINC000062046240 966606003 /nfs/dbraw/zinc/60/60/03/966606003.db2.gz UDAGUNOJZSGFKQ-MRXNPFEDSA-N 1 0 424.501 3.533 20 5 HHBDRO Cc1c(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000043347159 966956630 /nfs/dbraw/zinc/95/66/30/966956630.db2.gz QZQQIHAHIIQFBY-HOTGVXAUSA-N 1 0 412.490 3.834 20 5 HHBDRO Cc1c(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cccc1[N+](=O)[O-] ZINC000064280215 967119979 /nfs/dbraw/zinc/11/99/79/967119979.db2.gz BAVDNWKVONKFML-UHFFFAOYSA-N 1 0 424.501 3.534 20 5 HHBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000064309923 967133382 /nfs/dbraw/zinc/13/33/82/967133382.db2.gz CMTLOZUXLSJBHN-KRWDZBQOSA-N 1 0 402.539 3.778 20 5 HHBDRO CC(C)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350664 967151001 /nfs/dbraw/zinc/15/10/01/967151001.db2.gz BSFIJZBALRCTOO-UHFFFAOYSA-N 1 0 424.545 3.717 20 5 HHBDRO CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000064522209 967224946 /nfs/dbraw/zinc/22/49/46/967224946.db2.gz JSOYGGPABXVLJN-OAHLLOKOSA-N 1 0 403.504 3.697 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000044802656 967292952 /nfs/dbraw/zinc/29/29/52/967292952.db2.gz RXKKTJBPTYVERO-VXGBXAGGSA-N 1 0 409.389 3.883 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000044802653 967293143 /nfs/dbraw/zinc/29/31/43/967293143.db2.gz RXKKTJBPTYVERO-NWDGAFQWSA-N 1 0 409.389 3.883 20 5 HHBDRO NC(=O)c1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000064805621 967295774 /nfs/dbraw/zinc/29/57/74/967295774.db2.gz IELUIAFBBYTPHV-UHFFFAOYSA-N 1 0 411.458 3.757 20 5 HHBDRO CC1CC[NH+](CCCCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000065102132 967376815 /nfs/dbraw/zinc/37/68/15/967376815.db2.gz MWRUYGIOSAXJQS-UHFFFAOYSA-N 1 0 402.520 3.960 20 5 HHBDRO CC1CC[NH+]([C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000065511678 967500068 /nfs/dbraw/zinc/50/00/68/967500068.db2.gz ASJUKBLWPCZAKR-LJQANCHMSA-N 1 0 416.547 3.971 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OCC ZINC000538166357 1013726807 /nfs/dbraw/zinc/72/68/07/1013726807.db2.gz UBMXUZPXXFLJOC-HNNXBMFYSA-N 1 0 401.463 3.990 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000045941683 967603283 /nfs/dbraw/zinc/60/32/83/967603283.db2.gz NROIAOZBBIOCGV-UHFFFAOYSA-N 1 0 410.474 3.591 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000538212444 1013766201 /nfs/dbraw/zinc/76/62/01/1013766201.db2.gz KQKPKIUVKXXUJW-QGZVFWFLSA-N 1 0 416.497 3.605 20 5 HHBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000047187816 968081786 /nfs/dbraw/zinc/08/17/86/968081786.db2.gz KFYNZLZDFZDOIT-IBGZPJMESA-N 1 0 405.542 3.783 20 5 HHBDRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000047261954 968108923 /nfs/dbraw/zinc/10/89/23/968108923.db2.gz OKKIMZZMAMNAEJ-AWEZNQCLSA-N 1 0 419.279 3.603 20 5 HHBDRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000047261999 968109425 /nfs/dbraw/zinc/10/94/25/968109425.db2.gz JZOMXWFYGRUOKL-CQSZACIVSA-N 1 0 419.279 3.603 20 5 HHBDRO O=C(C[NH2+][C@@H](c1ccccc1F)C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000538225637 1013774820 /nfs/dbraw/zinc/77/48/20/1013774820.db2.gz ZAYLCNJDGYXVIM-OAQYLSRUSA-N 1 0 415.421 3.922 20 5 HHBDRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000538276138 1013815491 /nfs/dbraw/zinc/81/54/91/1013815491.db2.gz HKDZRXMQFYAVEX-INIZCTEOSA-N 1 0 412.490 3.675 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000065901452 968706927 /nfs/dbraw/zinc/70/69/27/968706927.db2.gz UZOYZUJAVQUUHQ-OAQYLSRUSA-N 1 0 406.486 3.720 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000065936632 968724976 /nfs/dbraw/zinc/72/49/76/968724976.db2.gz SQTPLYODKIMFRK-UHFFFAOYSA-N 1 0 405.882 3.608 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066000530 968764554 /nfs/dbraw/zinc/76/45/54/968764554.db2.gz RLBAYSJVEYRDND-CQSZACIVSA-N 1 0 409.533 3.509 20 5 HHBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000554146686 1013822560 /nfs/dbraw/zinc/82/25/60/1013822560.db2.gz BZDVKRUPPGMNJP-UHFFFAOYSA-N 1 0 406.389 3.544 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1SC ZINC000097548858 969157972 /nfs/dbraw/zinc/15/79/72/969157972.db2.gz WWAHMCPFZMYVAA-KRWDZBQOSA-N 1 0 403.504 3.666 20 5 HHBDRO C[C@@H]1C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@@H](C)O1 ZINC000107926840 969345868 /nfs/dbraw/zinc/34/58/68/969345868.db2.gz CWIMWVBRLGACKS-IAGOWNOFSA-N 1 0 413.474 3.616 20 5 HHBDRO COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[NH+](C)C ZINC000108313458 969373443 /nfs/dbraw/zinc/37/34/43/969373443.db2.gz KBWDIGSTDWSDHQ-HXUWFJFHSA-N 1 0 412.490 3.554 20 5 HHBDRO C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000108967778 969441726 /nfs/dbraw/zinc/44/17/26/969441726.db2.gz AGQOKTGEXRDWDA-OAHLLOKOSA-N 1 0 417.893 3.913 20 5 HHBDRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000109348596 969504025 /nfs/dbraw/zinc/50/40/25/969504025.db2.gz WZUNVIQQTKSHPH-UHFFFAOYSA-N 1 0 414.550 3.970 20 5 HHBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000109480874 969523044 /nfs/dbraw/zinc/52/30/44/969523044.db2.gz YSMVMKXONJVREH-INIZCTEOSA-N 1 0 414.893 3.827 20 5 HHBDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1)C(C)C ZINC000110106387 969623600 /nfs/dbraw/zinc/62/36/00/969623600.db2.gz ZGYLDGPWHWAUDW-UHFFFAOYSA-N 1 0 424.545 3.783 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1 ZINC000112531147 969813575 /nfs/dbraw/zinc/81/35/75/969813575.db2.gz NOHHWBGCEWBWQO-UHFFFAOYSA-N 1 0 416.453 3.525 20 5 HHBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000554409487 1013937521 /nfs/dbraw/zinc/93/75/21/1013937521.db2.gz LEZLKIWIWXOMQM-UHFFFAOYSA-N 1 0 408.502 3.521 20 5 HHBDRO O=[N+]([O-])c1c(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc2ccccn21 ZINC000139593860 970037802 /nfs/dbraw/zinc/03/78/02/970037802.db2.gz XOQDVRCEDLITKG-UHFFFAOYSA-N 1 0 419.407 3.974 20 5 HHBDRO O=C(CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1 ZINC000236616995 970147080 /nfs/dbraw/zinc/14/70/80/970147080.db2.gz UAHFYQOIRLCKMC-HWKANZROSA-N 1 0 404.264 3.989 20 5 HHBDRO CC(C)[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCN(C)CC1 ZINC000236704531 970159523 /nfs/dbraw/zinc/15/95/23/970159523.db2.gz ZAVUBOFWCHRUNE-HXUWFJFHSA-N 1 0 420.941 3.870 20 5 HHBDRO C[C@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000142829147 970170321 /nfs/dbraw/zinc/17/03/21/970170321.db2.gz HXEKLNCTJVRRJY-INIZCTEOSA-N 1 0 414.531 3.625 20 5 HHBDRO CC(C)(C)C(=O)NCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236795838 970173248 /nfs/dbraw/zinc/17/32/48/970173248.db2.gz GFQCQVDZPUEALE-UHFFFAOYSA-N 1 0 421.501 3.699 20 5 HHBDRO COCCN1CCC[C@@H]1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237089731 970220338 /nfs/dbraw/zinc/22/03/38/970220338.db2.gz CEHYLBDVFREPEM-GOSISDBHSA-N 1 0 403.454 3.727 20 5 HHBDRO CN(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000237167617 970234135 /nfs/dbraw/zinc/23/41/35/970234135.db2.gz UDIPTVRJVLOXHI-IBGZPJMESA-N 1 0 415.444 3.666 20 5 HHBDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237185915 970237311 /nfs/dbraw/zinc/23/73/11/970237311.db2.gz QLIOZVBVPZYGJP-XLIONFOSSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1cc(C[NH2+]CCc2c(C)nn(C)c2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237191060 970238863 /nfs/dbraw/zinc/23/88/63/970238863.db2.gz DUWRLAMSJZCKPP-UHFFFAOYSA-N 1 0 424.501 3.865 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@]2(C)CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237192858 970238955 /nfs/dbraw/zinc/23/89/55/970238955.db2.gz OLLLNPYOCHMXCU-YADHBBJMSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1ccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2C)cc1[N+](=O)[O-] ZINC000237340695 970266193 /nfs/dbraw/zinc/26/61/93/970266193.db2.gz BBDAVKVGQGYRIP-UHFFFAOYSA-N 1 0 422.279 3.793 20 5 HHBDRO COc1cc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237463615 970292899 /nfs/dbraw/zinc/29/28/99/970292899.db2.gz KAKHPXIHQSYEDM-GOSISDBHSA-N 1 0 411.502 3.756 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000237495264 970301313 /nfs/dbraw/zinc/30/13/13/970301313.db2.gz JYLPUQORSVZHRZ-VQIMIIECSA-N 1 0 400.479 3.722 20 5 HHBDRO COc1ccc([C@@H](C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000237495451 970302082 /nfs/dbraw/zinc/30/20/82/970302082.db2.gz OQRMAFAIUFOGEM-HXUWFJFHSA-N 1 0 415.490 3.634 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000237495533 970302258 /nfs/dbraw/zinc/30/22/58/970302258.db2.gz JYLPUQORSVZHRZ-APWZRJJASA-N 1 0 400.479 3.722 20 5 HHBDRO Cn1cc(C[NH2+]Cc2cccc(Cn3ccnc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237780140 970364766 /nfs/dbraw/zinc/36/47/66/970364766.db2.gz TWWXJEZAJRCPII-UHFFFAOYSA-N 1 0 402.458 3.530 20 5 HHBDRO Cn1cc(C[NH2+][C@H]2CCCN(c3cccc(F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237786957 970367099 /nfs/dbraw/zinc/36/70/99/970367099.db2.gz QTRHISHZKFKJRT-IBGZPJMESA-N 1 0 409.465 3.893 20 5 HHBDRO O=C(c1ccncc1)N1CCC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000237916078 970393834 /nfs/dbraw/zinc/39/38/34/970393834.db2.gz BDWXDEJOOPOOPZ-UHFFFAOYSA-N 1 0 423.498 3.508 20 5 HHBDRO Cn1ccnc1C(=O)c1ccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301058640 970726858 /nfs/dbraw/zinc/72/68/58/970726858.db2.gz AXFNYHNMVCSLHV-IBGZPJMESA-N 1 0 419.485 3.636 20 5 HHBDRO Cc1cc(NC2CC[NH+](Cc3ccccn3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301123679 970759345 /nfs/dbraw/zinc/75/93/45/970759345.db2.gz RXLYOLGKOXQIKU-UHFFFAOYSA-N 1 0 404.474 3.832 20 5 HHBDRO O=C(c1cc(N2CCC[N@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301129044 970761930 /nfs/dbraw/zinc/76/19/30/970761930.db2.gz YPMAXRNSCZAXLO-UHFFFAOYSA-N 1 0 408.502 3.543 20 5 HHBDRO CC[NH+](CC)CCOc1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])ccc1OC ZINC000304059719 972583807 /nfs/dbraw/zinc/58/38/07/972583807.db2.gz QIZRHYFBDVUYRU-UHFFFAOYSA-N 1 0 401.463 3.885 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000310364428 972620878 /nfs/dbraw/zinc/62/08/78/972620878.db2.gz RIJFOMLVBQPVLW-UHFFFAOYSA-N 1 0 406.280 3.561 20 5 HHBDRO CCOc1cc2c(cc1OCC)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000409848267 973316739 /nfs/dbraw/zinc/31/67/39/973316739.db2.gz IVIFVLJBDZAAGS-UHFFFAOYSA-N 1 0 413.474 3.779 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000410318789 973864616 /nfs/dbraw/zinc/86/46/16/973864616.db2.gz ZIVCHQLLSMDUAY-CQSZACIVSA-N 1 0 418.444 3.506 20 5 HHBDRO Cn1cc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425990943 974103271 /nfs/dbraw/zinc/10/32/71/974103271.db2.gz QJSAPOAHIDJGTN-SFHVURJKSA-N 1 0 411.437 3.573 20 5 HHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC2)n1 ZINC000426005080 974120112 /nfs/dbraw/zinc/12/01/12/974120112.db2.gz WRPVHJOKILIAMN-UHFFFAOYSA-N 1 0 420.395 3.833 20 5 HHBDRO CC[NH+]1CCC(CCNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000426023416 974144147 /nfs/dbraw/zinc/14/41/47/974144147.db2.gz QIKKXQVFRMYBDT-UHFFFAOYSA-N 1 0 402.417 3.535 20 5 HHBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426031296 974152450 /nfs/dbraw/zinc/15/24/50/974152450.db2.gz XGGBCTBGPTXIGC-UHFFFAOYSA-N 1 0 418.563 3.630 20 5 HHBDRO C[C@H]1C[NH+](CCC2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)C[C@H](C)O1 ZINC000426390924 974428256 /nfs/dbraw/zinc/42/82/56/974428256.db2.gz NCLSDNAIXJMZLP-GJZGRUSLSA-N 1 0 413.465 3.912 20 5 HHBDRO C[NH+]1CCN(c2ccccc2-c2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000426414015 974438101 /nfs/dbraw/zinc/43/81/01/974438101.db2.gz AFKANESWUBOJCX-UHFFFAOYSA-N 1 0 407.474 3.723 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426469969 974469371 /nfs/dbraw/zinc/46/93/71/974469371.db2.gz ROOGCMXEXKFWRN-QFIPXVFZSA-N 1 0 408.502 3.933 20 5 HHBDRO COc1ccc(-c2ccc(CN3CC[N@@H+](C4CCOCC4)C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000426543485 974518281 /nfs/dbraw/zinc/51/82/81/974518281.db2.gz JEEOSNCXWYOESE-INIZCTEOSA-N 1 0 415.490 3.549 20 5 HHBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427443826 975121209 /nfs/dbraw/zinc/12/12/09/975121209.db2.gz WYKSRSMBWNBDKS-IBGZPJMESA-N 1 0 409.486 3.921 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000427900995 975339641 /nfs/dbraw/zinc/33/96/41/975339641.db2.gz AIORMHPWNPNNQL-LEWJYISDSA-N 1 0 423.513 3.653 20 5 HHBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[N@@H+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000428218345 975541787 /nfs/dbraw/zinc/54/17/87/975541787.db2.gz WGQGXDGHHUSQSF-JOCHJYFZSA-N 1 0 410.518 3.999 20 5 HHBDRO COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000428466697 975767602 /nfs/dbraw/zinc/76/76/02/975767602.db2.gz ZVYFQPIKAXLAAN-WOJBJXKFSA-N 1 0 400.475 3.918 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000428487332 975786399 /nfs/dbraw/zinc/78/63/99/975786399.db2.gz SMWRTMFKJATAGW-MRXNPFEDSA-N 1 0 403.504 3.636 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)c(Cl)c1 ZINC000428531864 975827095 /nfs/dbraw/zinc/82/70/95/975827095.db2.gz AVKQPTJSZVDHEJ-GFCCVEGCSA-N 1 0 413.699 3.952 20 5 HHBDRO CCOc1cc(C[NH2+][C@@H]2CC23CCCC3)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000428545872 975851607 /nfs/dbraw/zinc/85/16/07/975851607.db2.gz WIOLIGBLMXLFIS-HXUWFJFHSA-N 1 0 414.506 4.000 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000428550709 975860015 /nfs/dbraw/zinc/86/00/15/975860015.db2.gz VYIIZZMIUDGGCX-SBJJXXPASA-N 1 0 405.292 3.811 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000428551529 975861712 /nfs/dbraw/zinc/86/17/12/975861712.db2.gz SNPDCPHUEVGVNW-KRWDZBQOSA-N 1 0 401.488 3.526 20 5 HHBDRO COc1cc(C[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000428568087 975879364 /nfs/dbraw/zinc/87/93/64/975879364.db2.gz CQJMXMRJFAELPD-FGZHOGPDSA-N 1 0 418.465 3.615 20 5 HHBDRO C[C@H](NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000428809365 976087606 /nfs/dbraw/zinc/08/76/06/976087606.db2.gz VNQFOKPRXLSWLE-KSZLIROESA-N 1 0 418.538 3.577 20 5 HHBDRO CS(=O)(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Cl ZINC000429423569 976701583 /nfs/dbraw/zinc/70/15/83/976701583.db2.gz JLFLXKKBQKACNJ-QGZVFWFLSA-N 1 0 408.907 3.763 20 5 HHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000429536945 976798537 /nfs/dbraw/zinc/79/85/37/976798537.db2.gz LOKMRZYNSLKYSP-UGKGYDQZSA-N 1 0 410.518 3.999 20 5 HHBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000429863136 977134893 /nfs/dbraw/zinc/13/48/93/977134893.db2.gz WMMMRUMHIYJCTK-UHFFFAOYSA-N 1 0 410.518 3.649 20 5 HHBDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000430106614 977321484 /nfs/dbraw/zinc/32/14/84/977321484.db2.gz RVILFAQUCVGXCE-CTNGQTDRSA-N 1 0 414.458 3.645 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430197657 977386285 /nfs/dbraw/zinc/38/62/85/977386285.db2.gz VWHLMUVXGSRXTI-INIZCTEOSA-N 1 0 416.497 3.735 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000430654931 977670499 /nfs/dbraw/zinc/67/04/99/977670499.db2.gz TURAMAZSZKZPTH-OXJNMPFZSA-N 1 0 408.502 3.952 20 5 HHBDRO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000430924581 977891107 /nfs/dbraw/zinc/89/11/07/977891107.db2.gz JLEPYZPPUWPYLL-CYBMUJFWSA-N 1 0 406.280 3.608 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000430933635 977898139 /nfs/dbraw/zinc/89/81/39/977898139.db2.gz LMSLPSWAMNZNDR-HXUWFJFHSA-N 1 0 411.502 3.956 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000431050660 977980457 /nfs/dbraw/zinc/98/04/57/977980457.db2.gz VHIKGTMKZXJXBJ-WIYYLYMNSA-N 1 0 410.518 3.956 20 5 HHBDRO Cc1cc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(C2CC[NH+](C)CC2)n1 ZINC000431103219 978020352 /nfs/dbraw/zinc/02/03/52/978020352.db2.gz PEVKMAPSZIIOLW-OAHLLOKOSA-N 1 0 400.483 3.558 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000431169917 978070833 /nfs/dbraw/zinc/07/08/33/978070833.db2.gz AKYSAORGBLEERJ-INIZCTEOSA-N 1 0 410.243 3.529 20 5 HHBDRO CC(C)(NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000431855245 978554383 /nfs/dbraw/zinc/55/43/83/978554383.db2.gz ALVUPMJKRKCVOC-GOSISDBHSA-N 1 0 400.479 3.949 20 5 HHBDRO Cc1cc(OCC(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000432111053 978682587 /nfs/dbraw/zinc/68/25/87/978682587.db2.gz YEGWITAKEZFTCJ-MRXNPFEDSA-N 1 0 413.474 3.641 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccnc4c3cccc4[N+](=O)[O-])C2)cc(OC)c1 ZINC000432337526 978766836 /nfs/dbraw/zinc/76/68/36/978766836.db2.gz RORXJEXJEWTAAJ-MRXNPFEDSA-N 1 0 408.458 3.847 20 5 HHBDRO Cn1ccnc1C(=O)c1ccc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000432943598 979018346 /nfs/dbraw/zinc/01/83/46/979018346.db2.gz IPEPKPHHCLJSFR-GOSISDBHSA-N 1 0 421.457 3.688 20 5 HHBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433166449 979110999 /nfs/dbraw/zinc/11/09/99/979110999.db2.gz XNOGTQKOFMCVJF-ORAYPTAESA-N 1 0 403.504 3.576 20 5 HHBDRO CC1(C)C[C@@H]([NH2+]CCCS(=O)(=O)Cc2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433175279 979118849 /nfs/dbraw/zinc/11/88/49/979118849.db2.gz LJVVUPXOFLWFSS-HXUWFJFHSA-N 1 0 402.516 3.912 20 5 HHBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1[N+](=O)[O-] ZINC000434224688 979995482 /nfs/dbraw/zinc/99/54/82/979995482.db2.gz CNZMGKAFSTZSCY-QGZVFWFLSA-N 1 0 413.522 3.644 20 5 HHBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000434321017 980084640 /nfs/dbraw/zinc/08/46/40/980084640.db2.gz IYGNBKKXHIRLCP-GOSISDBHSA-N 1 0 423.448 3.938 20 5 HHBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000434330309 980094908 /nfs/dbraw/zinc/09/49/08/980094908.db2.gz LJNVUTDNWWGMAL-OAQYLSRUSA-N 1 0 419.485 3.728 20 5 HHBDRO Cc1c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435323080 980782002 /nfs/dbraw/zinc/78/20/02/980782002.db2.gz JMMALBQXRASDGT-SWLSCSKDSA-N 1 0 411.300 3.614 20 5 HHBDRO Cc1c(NC(=O)NC2CC([NH+]3CCCCC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435326329 980785263 /nfs/dbraw/zinc/78/52/63/980785263.db2.gz CNMUENKFRXYOCE-UHFFFAOYSA-N 1 0 411.300 3.804 20 5 HHBDRO Cc1c(NC(=O)N(CC[NH+](C)C)CC(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435328290 980786610 /nfs/dbraw/zinc/78/66/10/980786610.db2.gz KNMZDBMAKVHVFN-UHFFFAOYSA-N 1 0 401.305 3.717 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000435371469 980820600 /nfs/dbraw/zinc/82/06/00/980820600.db2.gz VGDHAAPZDDLOAG-GOSISDBHSA-N 1 0 405.458 3.799 20 5 HHBDRO Cc1ccc([C@@H](C)NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000435415813 980850191 /nfs/dbraw/zinc/85/01/91/980850191.db2.gz DDXQABPXMXZZMT-GOSISDBHSA-N 1 0 418.538 3.546 20 5 HHBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000435654460 980975814 /nfs/dbraw/zinc/97/58/14/980975814.db2.gz JZNVQVDDZMZDHR-UHFFFAOYSA-N 1 0 418.881 3.651 20 5 HHBDRO COc1cc(C[NH2+]CC2([S@](C)=O)CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000435734735 981008658 /nfs/dbraw/zinc/00/86/58/981008658.db2.gz YEVXDMFVSCGVQD-LJAQVGFWSA-N 1 0 418.515 3.573 20 5 HHBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435817860 981043817 /nfs/dbraw/zinc/04/38/17/981043817.db2.gz MRJMQZYJHZCQTQ-UHFFFAOYSA-N 1 0 421.447 3.951 20 5 HHBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436140510 981216581 /nfs/dbraw/zinc/21/65/81/981216581.db2.gz ROUPNWFGRFFEHI-ZIAGYGMSSA-N 1 0 413.468 3.810 20 5 HHBDRO C[C@@H](O)C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCCCC1 ZINC000436227828 981259278 /nfs/dbraw/zinc/25/92/78/981259278.db2.gz NHPQVQKQAVXPIW-CQSZACIVSA-N 1 0 418.519 3.672 20 5 HHBDRO C[N@H+](CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C1CCCCC1 ZINC000436304073 981288743 /nfs/dbraw/zinc/28/87/43/981288743.db2.gz FIUJYUZTBGARJQ-UHFFFAOYSA-N 1 0 413.468 3.954 20 5 HHBDRO CCOc1cc(C[NH2+][C@H]2CC[C@@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000436408177 981352728 /nfs/dbraw/zinc/35/27/28/981352728.db2.gz KSNAWVPQXPXBLE-QAPCUYQASA-N 1 0 402.495 3.856 20 5 HHBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448206568 981618870 /nfs/dbraw/zinc/61/88/70/981618870.db2.gz VKAYWGFRLUSYPD-DNVCBOLYSA-N 1 0 412.515 3.807 20 5 HHBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448206569 981619517 /nfs/dbraw/zinc/61/95/17/981619517.db2.gz VKAYWGFRLUSYPD-HNAYVOBHSA-N 1 0 412.515 3.807 20 5 HHBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448218789 981633572 /nfs/dbraw/zinc/63/35/72/981633572.db2.gz WAHGKIQTGURALT-GHTZIAJQSA-N 1 0 400.523 3.576 20 5 HHBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000437054543 981725386 /nfs/dbraw/zinc/72/53/86/981725386.db2.gz DWNBGHGFRKIVIG-KRWDZBQOSA-N 1 0 401.894 3.771 20 5 HHBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c2)CC1 ZINC000437226647 981883259 /nfs/dbraw/zinc/88/32/59/981883259.db2.gz IGHCUNAHVVKPDH-UHFFFAOYSA-N 1 0 422.407 3.613 20 5 HHBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000460244368 982022409 /nfs/dbraw/zinc/02/24/09/982022409.db2.gz YXKMKQJGIWWHBV-INIZCTEOSA-N 1 0 412.490 3.628 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000460349854 982122219 /nfs/dbraw/zinc/12/22/19/982122219.db2.gz HYDUSCXFDUEAOH-IAGOWNOFSA-N 1 0 421.501 3.891 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4ccccc4OC(F)F)CC3)nc2c1 ZINC000460354735 982127120 /nfs/dbraw/zinc/12/71/20/982127120.db2.gz JJRCASFVAVTCRE-UHFFFAOYSA-N 1 0 417.416 3.785 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000437851686 982409510 /nfs/dbraw/zinc/40/95/10/982409510.db2.gz PBQZSZLCPYIILZ-HNNXBMFYSA-N 1 0 410.312 3.884 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1OC ZINC000437863859 982419287 /nfs/dbraw/zinc/41/92/87/982419287.db2.gz DEUSOAKXOPORRX-MRXNPFEDSA-N 1 0 405.495 3.529 20 5 HHBDRO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000437865619 982420399 /nfs/dbraw/zinc/42/03/99/982420399.db2.gz KQSHWESMTROHMD-LJQANCHMSA-N 1 0 411.506 3.522 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000438014706 982524696 /nfs/dbraw/zinc/52/46/96/982524696.db2.gz DAUSRYOUXJANBU-LJQANCHMSA-N 1 0 400.479 3.945 20 5 HHBDRO CSC1(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC[NH+](C)CC1 ZINC000460973638 982701493 /nfs/dbraw/zinc/70/14/93/982701493.db2.gz XPBUGOMHEDIEDY-UHFFFAOYSA-N 1 0 411.593 3.900 20 5 HHBDRO COc1ccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000438346026 982735764 /nfs/dbraw/zinc/73/57/64/982735764.db2.gz KEFPWJCQFWFSAH-OAQYLSRUSA-N 1 0 400.475 3.775 20 5 HHBDRO CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000438654449 982971872 /nfs/dbraw/zinc/97/18/72/982971872.db2.gz GJCDTXCYLZVKHE-HKUYNNGSSA-N 1 0 424.501 3.526 20 5 HHBDRO CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000438662299 982979907 /nfs/dbraw/zinc/97/99/07/982979907.db2.gz WSJXMMXRHHQUIC-FXAWDEMLSA-N 1 0 424.501 3.526 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000461416360 983080387 /nfs/dbraw/zinc/08/03/87/983080387.db2.gz FCVOPWWDURHDSC-RTBURBONSA-N 1 0 414.550 3.779 20 5 HHBDRO CSc1cccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000461447104 983112058 /nfs/dbraw/zinc/11/20/58/983112058.db2.gz KUAJAESSFSJYKL-ZWKOTPCHSA-N 1 0 411.527 3.911 20 5 HHBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461456062 983122018 /nfs/dbraw/zinc/12/20/18/983122018.db2.gz LJKFLPLLTKWLPY-RTBURBONSA-N 1 0 416.481 3.737 20 5 HHBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cccc1[N+](=O)[O-] ZINC000438993634 983199688 /nfs/dbraw/zinc/19/96/88/983199688.db2.gz CDSAPSKXRPUDRI-ZHFAOOELSA-N 1 0 403.523 3.883 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000439773758 983533215 /nfs/dbraw/zinc/53/32/15/983533215.db2.gz ZXCRHQOAPUWTAZ-CQSZACIVSA-N 1 0 400.504 3.667 20 5 HHBDRO COc1cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000439773958 983533514 /nfs/dbraw/zinc/53/35/14/983533514.db2.gz JRWHBODJXUMHRL-INIZCTEOSA-N 1 0 418.412 3.936 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000439905887 983578237 /nfs/dbraw/zinc/57/82/37/983578237.db2.gz VBBKBOITQNEPAI-KRWDZBQOSA-N 1 0 402.451 3.935 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000439906010 983578557 /nfs/dbraw/zinc/57/85/57/983578557.db2.gz XFQUCSVKUIBEQI-UHFFFAOYSA-N 1 0 413.478 3.769 20 5 HHBDRO O=C1CCCCN1CC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000440486089 983773641 /nfs/dbraw/zinc/77/36/41/983773641.db2.gz JDXNEYKCTBRIEL-UHFFFAOYSA-N 1 0 412.490 3.517 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc2[N+](=O)[O-])n1 ZINC000440912690 983968914 /nfs/dbraw/zinc/96/89/14/983968914.db2.gz JIHWBBCGEKBDCU-JSGCOSHPSA-N 1 0 418.544 3.866 20 5 HHBDRO COc1cc(OC)cc(OCCC[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000441178404 984103103 /nfs/dbraw/zinc/10/31/03/984103103.db2.gz OIIUJEWPBOEQJU-UHFFFAOYSA-N 1 0 401.419 3.654 20 5 HHBDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000441379766 984219532 /nfs/dbraw/zinc/21/95/32/984219532.db2.gz DWTUYGKAMCMHCS-DYESRHJHSA-N 1 0 407.474 3.766 20 5 HHBDRO Cc1ccc2oc(C[N@@H+](Cc3ccco3)C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cc2c1 ZINC000441436904 984251429 /nfs/dbraw/zinc/25/14/29/984251429.db2.gz PLWLPJOJWLEULF-GOSISDBHSA-N 1 0 410.430 3.502 20 5 HHBDRO COc1ccc(CC2CC[NH+](CCOc3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 ZINC000441530651 984306443 /nfs/dbraw/zinc/30/64/43/984306443.db2.gz GJHCQBPDDYGEDC-UHFFFAOYSA-N 1 0 400.475 3.946 20 5 HHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000441534720 984308798 /nfs/dbraw/zinc/30/87/98/984308798.db2.gz QXLULSHRXICWDW-UXHICEINSA-N 1 0 409.534 3.585 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000461696942 984713773 /nfs/dbraw/zinc/71/37/73/984713773.db2.gz XFFQXUBRYDVDJW-HZPDHXFCSA-N 1 0 413.522 3.869 20 5 HHBDRO Cc1cc(NCc2cccnc2N2CC[NH+](C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461779121 984775319 /nfs/dbraw/zinc/77/53/19/984775319.db2.gz JZUYGYNZNKKOPN-UHFFFAOYSA-N 1 0 409.412 3.681 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1SC ZINC000462156974 985130595 /nfs/dbraw/zinc/13/05/95/985130595.db2.gz FHCOTBPCXFYRQO-YOEHRIQHSA-N 1 0 415.515 3.576 20 5 HHBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000443344830 985509828 /nfs/dbraw/zinc/50/98/28/985509828.db2.gz SAFUHLKDBXWANQ-GHMZBOCLSA-N 1 0 401.282 3.509 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000462647547 985587601 /nfs/dbraw/zinc/58/76/01/985587601.db2.gz ZDETUMLWEHODNL-QGZVFWFLSA-N 1 0 412.490 3.670 20 5 HHBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1CCOc1ccccc1 ZINC000462717553 985663864 /nfs/dbraw/zinc/66/38/64/985663864.db2.gz IZRLCBOCJMXMRU-SFHVURJKSA-N 1 0 421.453 3.624 20 5 HHBDRO Cn1cc(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463059542 986017318 /nfs/dbraw/zinc/01/73/18/986017318.db2.gz PSCQGOSMMNJXGT-UHFFFAOYSA-N 1 0 408.462 3.635 20 5 HHBDRO C[NH+](C)Cc1cc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)ccc1F ZINC000444025519 986219672 /nfs/dbraw/zinc/21/96/72/986219672.db2.gz UKSOPOSYNIFXBI-UHFFFAOYSA-N 1 0 403.457 3.812 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000463291335 986258101 /nfs/dbraw/zinc/25/81/01/986258101.db2.gz WZECOYJGUXCFME-VGSWGCGISA-N 1 0 408.502 3.789 20 5 HHBDRO CC[NH+]1CCC(CCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000444088799 986288155 /nfs/dbraw/zinc/28/81/55/986288155.db2.gz UEOBIINXTKAWBO-UHFFFAOYSA-N 1 0 413.468 3.811 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000468619943 986335917 /nfs/dbraw/zinc/33/59/17/986335917.db2.gz IERQQSICCSJXDQ-RTYFKUQISA-N 1 0 403.504 3.599 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000468619942 986336135 /nfs/dbraw/zinc/33/61/35/986336135.db2.gz IERQQSICCSJXDQ-IRVMHKCDSA-N 1 0 403.504 3.599 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1 ZINC000468639315 986354750 /nfs/dbraw/zinc/35/47/50/986354750.db2.gz SACLRZAPRAKALE-GZTJUZNOSA-N 1 0 417.531 3.616 20 5 HHBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463580667 986557403 /nfs/dbraw/zinc/55/74/03/986557403.db2.gz YZCFNMBVRJMOPP-UHFFFAOYSA-N 1 0 414.531 3.527 20 5 HHBDRO Cc1c(CC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000469507693 987184438 /nfs/dbraw/zinc/18/44/38/987184438.db2.gz AOKMPHXMQLBWHH-GOSISDBHSA-N 1 0 409.408 3.884 20 5 HHBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1F ZINC000445134403 987232998 /nfs/dbraw/zinc/23/29/98/987232998.db2.gz KIEMWBHLIPDCFY-UHFFFAOYSA-N 1 0 403.457 3.812 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccsc1 ZINC000445489486 987549567 /nfs/dbraw/zinc/54/95/67/987549567.db2.gz JRNHHMZVEHJLSC-LJQANCHMSA-N 1 0 402.520 3.807 20 5 HHBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)[C@@H]1C ZINC000470156128 988066645 /nfs/dbraw/zinc/06/66/45/988066645.db2.gz JKYHWYNIXGUOBC-BEFAXECRSA-N 1 0 414.458 3.566 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cccs1 ZINC000463958584 988070431 /nfs/dbraw/zinc/07/04/31/988070431.db2.gz PWFUSLWVBJFQFO-SFHVURJKSA-N 1 0 418.519 3.512 20 5 HHBDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000463971059 988084061 /nfs/dbraw/zinc/08/40/61/988084061.db2.gz BVJBZJBBIJVBHC-UHFFFAOYSA-N 1 0 406.527 3.814 20 5 HHBDRO CCOC(=O)c1ccc(N2CCC[N@H+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000470175728 988091738 /nfs/dbraw/zinc/09/17/38/988091738.db2.gz FLLUDFKVJIIMPE-JXAWBTAJSA-N 1 0 424.501 3.782 20 5 HHBDRO C[C@@H]1C[C@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000464061304 988182988 /nfs/dbraw/zinc/18/29/88/988182988.db2.gz HOPXTBJKSMRGBJ-UYAOXDASSA-N 1 0 410.518 3.543 20 5 HHBDRO CNc1c(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000470597602 988613251 /nfs/dbraw/zinc/61/32/51/988613251.db2.gz FMXKRGZVAHLJRR-INIZCTEOSA-N 1 0 410.396 3.688 20 5 HHBDRO CN(c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470870896 988940071 /nfs/dbraw/zinc/94/00/71/988940071.db2.gz GEGKMPUHROWIDT-HXUWFJFHSA-N 1 0 408.502 3.588 20 5 HHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000464776185 989002021 /nfs/dbraw/zinc/00/20/21/989002021.db2.gz KQXIPCYMJOJUGN-KRWDZBQOSA-N 1 0 406.866 3.531 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464785742 989015210 /nfs/dbraw/zinc/01/52/10/989015210.db2.gz RWOSBFFPBMQVMZ-IBGZPJMESA-N 1 0 403.454 3.880 20 5 HHBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464842609 989089074 /nfs/dbraw/zinc/08/90/74/989089074.db2.gz JITBDUHUYVFROU-QGZVFWFLSA-N 1 0 416.909 3.641 20 5 HHBDRO C[C@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000464842630 989090309 /nfs/dbraw/zinc/09/03/09/989090309.db2.gz JQNWTVSLOWVNON-KRWDZBQOSA-N 1 0 407.474 3.741 20 5 HHBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000471173356 989301049 /nfs/dbraw/zinc/30/10/49/989301049.db2.gz QBFHLJURXUCOSS-QGZVFWFLSA-N 1 0 402.882 3.788 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000471194506 989331138 /nfs/dbraw/zinc/33/11/38/989331138.db2.gz CTXKSADSYGYCRX-UHFFFAOYSA-N 1 0 419.485 3.602 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000471279526 989432171 /nfs/dbraw/zinc/43/21/71/989432171.db2.gz MMSUOXJFINIWFH-HNNXBMFYSA-N 1 0 418.291 3.609 20 5 HHBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000471288558 989446521 /nfs/dbraw/zinc/44/65/21/989446521.db2.gz SMSBANQNKYTJBA-UHFFFAOYSA-N 1 0 417.893 3.670 20 5 HHBDRO C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000471540773 989740253 /nfs/dbraw/zinc/74/02/53/989740253.db2.gz VASHYWCAWJKHMI-CJAUYULYSA-N 1 0 413.521 3.962 20 5 HHBDRO CCc1ccc(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000471916010 990083731 /nfs/dbraw/zinc/08/37/31/990083731.db2.gz WDKURIZVBPVXJH-OAHLLOKOSA-N 1 0 414.481 3.539 20 5 HHBDRO C[C@@H]1C[C@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000466147808 991330518 /nfs/dbraw/zinc/33/05/18/991330518.db2.gz RDXGVXHZDAFWHD-WIYYLYMNSA-N 1 0 410.518 3.832 20 5 HHBDRO CCOc1cc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c([N+](=O)[O-])cc1OCC ZINC000466293867 991544657 /nfs/dbraw/zinc/54/46/57/991544657.db2.gz RTGZXDZGHKKXKV-INIZCTEOSA-N 1 0 420.510 3.778 20 5 HHBDRO Cn1cc(C[NH2+]Cc2ccncc2OCC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000466417436 991708629 /nfs/dbraw/zinc/70/86/29/991708629.db2.gz YRASKDNBDJTYEP-UHFFFAOYSA-N 1 0 421.379 3.621 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CCN(c4nccs4)CC3)cs2)c1 ZINC000466420734 991712121 /nfs/dbraw/zinc/71/21/21/991712121.db2.gz FVTSJIYJWLYYIG-UHFFFAOYSA-N 1 0 401.517 3.933 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000466459352 991750286 /nfs/dbraw/zinc/75/02/86/991750286.db2.gz WQJWWSSFMQNKLB-UHFFFAOYSA-N 1 0 400.479 3.804 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]CCN3CCc4ccccc4C3=O)o2)c([N+](=O)[O-])c1 ZINC000466905386 992221204 /nfs/dbraw/zinc/22/12/04/992221204.db2.gz FHZYFWJKXWLYMA-UHFFFAOYSA-N 1 0 421.453 3.652 20 5 HHBDRO C[NH+](C)CCc1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000467068917 992375995 /nfs/dbraw/zinc/37/59/95/992375995.db2.gz HVOAZHIFHVODEU-UHFFFAOYSA-N 1 0 410.499 3.752 20 5 HHBDRO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)CC[C@@H]1CCCO1 ZINC000467150934 992467921 /nfs/dbraw/zinc/46/79/21/992467921.db2.gz XTDNHUIVQOSLBD-CJNGLKHVSA-N 1 0 404.492 3.546 20 5 HHBDRO CC[NH+](CC)CCOC1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000467171319 992490460 /nfs/dbraw/zinc/49/04/60/992490460.db2.gz SZWQCPXSBBCULA-MRXNPFEDSA-N 1 0 417.510 3.529 20 5 HHBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467216145 992540694 /nfs/dbraw/zinc/54/06/94/992540694.db2.gz HISNJDTXOBXXDM-UHFFFAOYSA-N 1 0 402.882 3.843 20 5 HHBDRO CCOC(=O)c1cc(NCC2([NH+]3CCC(OC)CC3)CCCC2)ccc1[N+](=O)[O-] ZINC000467800090 993034909 /nfs/dbraw/zinc/03/49/09/993034909.db2.gz WQAHPHPULDVZRU-UHFFFAOYSA-N 1 0 405.495 3.607 20 5 HHBDRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000467845200 993077497 /nfs/dbraw/zinc/07/74/97/993077497.db2.gz ZKABEJGHUQIYFP-MRXNPFEDSA-N 1 0 417.531 3.708 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000472502239 993500935 /nfs/dbraw/zinc/50/09/35/993500935.db2.gz QDMJZVTZHPMLKW-QZTJIDSGSA-N 1 0 410.518 3.670 20 5 HHBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000472597185 993554203 /nfs/dbraw/zinc/55/42/03/993554203.db2.gz BJRKFKLBPHUTGI-HXUWFJFHSA-N 1 0 410.518 3.767 20 5 HHBDRO O=C(Cn1cccn1)Nc1cccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000480876110 993741688 /nfs/dbraw/zinc/74/16/88/993741688.db2.gz GKBNVVCVDXBBNM-NRFANRHFSA-N 1 0 419.485 3.541 20 5 HHBDRO O=C(C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000481193320 994026746 /nfs/dbraw/zinc/02/67/46/994026746.db2.gz SDZFZKIJXWIPEU-SJORKVTESA-N 1 0 411.458 3.653 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)C1CC1 ZINC000481214003 994047302 /nfs/dbraw/zinc/04/73/02/994047302.db2.gz MPFQGCGVJUNPLK-JTHBVZDNSA-N 1 0 413.493 3.718 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481384372 994215628 /nfs/dbraw/zinc/21/56/28/994215628.db2.gz UXSYMOIWAKMBHV-CWTRNNRKSA-N 1 0 407.854 3.561 20 5 HHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000481406340 994239163 /nfs/dbraw/zinc/23/91/63/994239163.db2.gz PISUOYQQDZZEGH-ZDUSSCGKSA-N 1 0 406.280 3.907 20 5 HHBDRO COc1ccc(CSCC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000473552680 994415828 /nfs/dbraw/zinc/41/58/28/994415828.db2.gz OSFSKEHPRYIBFX-UHFFFAOYSA-N 1 0 421.563 3.750 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000481759535 994612151 /nfs/dbraw/zinc/61/21/51/994612151.db2.gz GWXLBZGTCLBGDX-GOEBONIOSA-N 1 0 402.438 3.931 20 5 HHBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000481762341 994615572 /nfs/dbraw/zinc/61/55/72/994615572.db2.gz SGNQUVLTMPKBAM-AEFFLSMTSA-N 1 0 418.519 3.840 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000481768342 994620186 /nfs/dbraw/zinc/62/01/86/994620186.db2.gz HLXANARXPIQPEG-HNNXBMFYSA-N 1 0 407.474 3.776 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000481807357 994655560 /nfs/dbraw/zinc/65/55/60/994655560.db2.gz BYYAOEGALRHBJJ-JKSUJKDBSA-N 1 0 402.422 3.712 20 5 HHBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000473767022 994684631 /nfs/dbraw/zinc/68/46/31/994684631.db2.gz SJSMPJWLWSGLCQ-UHFFFAOYSA-N 1 0 413.478 3.698 20 5 HHBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481868203 994729995 /nfs/dbraw/zinc/72/99/95/994729995.db2.gz ZXMGQARLKKWCMF-IFMALSPDSA-N 1 0 422.529 3.910 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000482000184 994901851 /nfs/dbraw/zinc/90/18/51/994901851.db2.gz RTXOULIVGJABJE-UHFFFAOYSA-N 1 0 409.552 3.718 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2cc3cccc(F)c3o2)cc1[N+](=O)[O-] ZINC000473995999 994984430 /nfs/dbraw/zinc/98/44/30/994984430.db2.gz NPQFOAINRWGYDW-GFCCVEGCSA-N 1 0 402.378 3.883 20 5 HHBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH+](C2CCCCC2)CC1 ZINC000482058437 994987472 /nfs/dbraw/zinc/98/74/72/994987472.db2.gz BBXQWNQCHYGMPT-UHFFFAOYSA-N 1 0 400.504 3.809 20 5 HHBDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)CC[N@@H+]2C2CC2)c1 ZINC000482102895 995049179 /nfs/dbraw/zinc/04/91/79/995049179.db2.gz MCJMYDXLKJHNJJ-FCHUYYIVSA-N 1 0 420.469 3.793 20 5 HHBDRO CCc1cc(N2CC[C@H](OCC[NH+](CC)CC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000474160307 995144597 /nfs/dbraw/zinc/14/45/97/995144597.db2.gz QIRQFGNCYANNJK-FQEVSTJZSA-N 1 0 413.522 3.551 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000482258988 995237575 /nfs/dbraw/zinc/23/75/75/995237575.db2.gz RMKCXYVPQRWYFJ-FQEVSTJZSA-N 1 0 401.894 3.818 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)cc1[N+](=O)[O-] ZINC000474351837 995331134 /nfs/dbraw/zinc/33/11/34/995331134.db2.gz CPPWZPPYFVWHOR-NRFANRHFSA-N 1 0 402.422 3.917 20 5 HHBDRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000482416164 995404220 /nfs/dbraw/zinc/40/42/20/995404220.db2.gz BWFPPBQSYVNDRE-UHFFFAOYSA-N 1 0 415.465 3.535 20 5 HHBDRO COc1ccc(-c2ccc(C[NH+]3CCC([C@H](C)NC(C)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000482522173 995531646 /nfs/dbraw/zinc/53/16/46/995531646.db2.gz HJUYEZQEVXOJMB-AWEZNQCLSA-N 1 0 401.463 3.600 20 5 HHBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000474637343 995583449 /nfs/dbraw/zinc/58/34/49/995583449.db2.gz KZFQVQFQMFRSOF-UHFFFAOYSA-N 1 0 411.380 3.892 20 5 HHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000482872495 995807603 /nfs/dbraw/zinc/80/76/03/995807603.db2.gz ZHAINKIEXVTASB-MRXNPFEDSA-N 1 0 405.454 3.974 20 5 HHBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474936080 995811079 /nfs/dbraw/zinc/81/10/79/995811079.db2.gz VYRMZLVGXZLWJN-BYCMXARLSA-N 1 0 414.936 3.865 20 5 HHBDRO CC(C)c1ccc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)cc1[N+](=O)[O-] ZINC000475081066 995909402 /nfs/dbraw/zinc/90/94/02/995909402.db2.gz BSMKWRXEHCPOMO-ROUUACIJSA-N 1 0 401.486 3.553 20 5 HHBDRO CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475113556 995930509 /nfs/dbraw/zinc/93/05/09/995930509.db2.gz UXMOBXPHLUQBJX-QFIPXVFZSA-N 1 0 410.518 3.833 20 5 HHBDRO CC(C)[C@@H](CCO)[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000475129356 995941099 /nfs/dbraw/zinc/94/10/99/995941099.db2.gz JRZBCDFAPUEFLO-MJGOQNOKSA-N 1 0 405.882 3.925 20 5 HHBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000483058916 995947215 /nfs/dbraw/zinc/94/72/15/995947215.db2.gz LBBCHDGLXVGPDI-GOSISDBHSA-N 1 0 412.490 3.533 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000475210149 995999249 /nfs/dbraw/zinc/99/92/49/995999249.db2.gz RLIKRZHXVHJYHG-UHFFFAOYSA-N 1 0 423.395 3.795 20 5 HHBDRO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000483141172 995999303 /nfs/dbraw/zinc/99/93/03/995999303.db2.gz GHUOJLAKFSVDKR-QGZVFWFLSA-N 1 0 401.507 3.619 20 5 HHBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCC1 ZINC000475429565 996132944 /nfs/dbraw/zinc/13/29/44/996132944.db2.gz IDDZSLPXOUAISG-UHFFFAOYSA-N 1 0 408.451 3.583 20 5 HHBDRO CC[C@@H](C)[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000475536684 996207909 /nfs/dbraw/zinc/20/79/09/996207909.db2.gz KLSNSOYRDFTTNK-CYBMUJFWSA-N 1 0 413.400 3.549 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000475717988 996321072 /nfs/dbraw/zinc/32/10/72/996321072.db2.gz XFBKBSCVHKPWSY-YOEHRIQHSA-N 1 0 402.422 3.664 20 5 HHBDRO CN(C(=O)C[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000475725098 996325230 /nfs/dbraw/zinc/32/52/30/996325230.db2.gz XIVSIYFAZACWLZ-UHFFFAOYSA-N 1 0 411.380 3.981 20 5 HHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000484046698 996540025 /nfs/dbraw/zinc/54/00/25/996540025.db2.gz VLTJBPJHNKXUDR-UHFFFAOYSA-N 1 0 402.470 3.786 20 5 HHBDRO CS[C@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000476059101 996572968 /nfs/dbraw/zinc/57/29/68/996572968.db2.gz FINALXPXBZQDMG-RTWAWAEBSA-N 1 0 411.527 3.842 20 5 HHBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 ZINC000484224813 996645041 /nfs/dbraw/zinc/64/50/41/996645041.db2.gz ANHUSFYUWHRTBD-HNNXBMFYSA-N 1 0 416.909 3.932 20 5 HHBDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000484650240 996986168 /nfs/dbraw/zinc/98/61/68/996986168.db2.gz RUSJZMMBVYRHAB-LVCYWYKZSA-N 1 0 400.475 3.623 20 5 HHBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)(F)F)cc1 ZINC000484881165 997246723 /nfs/dbraw/zinc/24/67/23/997246723.db2.gz YOGFMWUEPAIFEU-LBPRGKRZSA-N 1 0 418.393 3.618 20 5 HHBDRO CCOc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000484940850 997317503 /nfs/dbraw/zinc/31/75/03/997317503.db2.gz SICFRSYQEOTSGZ-WOJBJXKFSA-N 1 0 409.486 3.588 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000484944869 997322708 /nfs/dbraw/zinc/32/27/08/997322708.db2.gz AYSGIYNUKQNKSY-RBUKOAKNSA-N 1 0 409.486 3.588 20 5 HHBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485074803 997443867 /nfs/dbraw/zinc/44/38/67/997443867.db2.gz DVOIBZCCYMIGFH-UHFFFAOYSA-N 1 0 405.401 3.591 20 5 HHBDRO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c(Br)c1 ZINC000485120152 997503589 /nfs/dbraw/zinc/50/35/89/997503589.db2.gz IZXWQCYOFWNWPG-UHFFFAOYSA-N 1 0 420.307 3.926 20 5 HHBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000485125057 997508914 /nfs/dbraw/zinc/50/89/14/997508914.db2.gz XAFGPQNGXBAUTO-SFHVURJKSA-N 1 0 411.506 3.509 20 5 HHBDRO COc1ccccc1-c1csc(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000485129239 997513379 /nfs/dbraw/zinc/51/33/79/997513379.db2.gz PWRJPQMTRKVRPU-UHFFFAOYSA-N 1 0 413.503 3.803 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485364079 997789604 /nfs/dbraw/zinc/78/96/04/997789604.db2.gz SCNZNZNZDSFERY-OFNKIYASSA-N 1 0 422.529 3.828 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485365522 997791096 /nfs/dbraw/zinc/79/10/96/997791096.db2.gz WHVGLHDKRCUZFD-RTWAWAEBSA-N 1 0 422.529 3.828 20 5 HHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc1-c1ccc(F)cc1 ZINC000485398319 997827488 /nfs/dbraw/zinc/82/74/88/997827488.db2.gz JKEJRNHJRROKRM-HNNXBMFYSA-N 1 0 400.454 3.709 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000485459146 997903166 /nfs/dbraw/zinc/90/31/66/997903166.db2.gz WKQBHIUWTUTZHH-HOCLYGCPSA-N 1 0 419.428 3.979 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000485602377 998050094 /nfs/dbraw/zinc/05/00/94/998050094.db2.gz ULDYWRMWFUAPJC-HUUCEWRRSA-N 1 0 411.449 3.923 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477493499 998215010 /nfs/dbraw/zinc/21/50/10/998215010.db2.gz WUBLELLHHOTXBI-ZMZPIMSZSA-N 1 0 424.835 3.531 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000477753603 998499611 /nfs/dbraw/zinc/49/96/11/998499611.db2.gz GGWHSYVJTJSLRG-UHFFFAOYSA-N 1 0 403.866 3.705 20 5 HHBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000486113135 998560529 /nfs/dbraw/zinc/56/05/29/998560529.db2.gz BHYDCHGZXSYJRD-UHFFFAOYSA-N 1 0 405.882 3.769 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000477923181 998659944 /nfs/dbraw/zinc/65/99/44/998659944.db2.gz UIOKKOBNPWHFCK-KBXCAEBGSA-N 1 0 401.438 3.584 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)NC3CC([NH+]4CCCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000477956595 998680583 /nfs/dbraw/zinc/68/05/83/998680583.db2.gz WFIYLFHAOYVFBS-IVMQYODDSA-N 1 0 400.523 3.578 20 5 HHBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CC([NH+]4CCCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000477956370 998680607 /nfs/dbraw/zinc/68/06/07/998680607.db2.gz VXHHZHIETDYUQS-BEEJXANESA-N 1 0 414.550 3.824 20 5 HHBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)CCCn1c(=O)oc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000478060180 998742093 /nfs/dbraw/zinc/74/20/93/998742093.db2.gz NTWMSTKEXXBPBF-HNNXBMFYSA-N 1 0 416.503 3.921 20 5 HHBDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1Cl ZINC000486392905 998744475 /nfs/dbraw/zinc/74/44/75/998744475.db2.gz HFWLFARPNQODFS-UHFFFAOYSA-N 1 0 413.808 3.648 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000486684736 998891724 /nfs/dbraw/zinc/89/17/24/998891724.db2.gz YLOFSNWVIOVYCF-OAHLLOKOSA-N 1 0 409.477 3.919 20 5 HHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@H]4CCC[C@@]4(c4nc(CC5CC5)no4)C3)nc2c1 ZINC000486844698 998969487 /nfs/dbraw/zinc/96/94/87/998969487.db2.gz KYTRCYVSHHVFNH-SPLOXXLWSA-N 1 0 409.446 3.625 20 5 HHBDRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1 ZINC000486876716 998986383 /nfs/dbraw/zinc/98/63/83/998986383.db2.gz WVYSKUWKPQFEAU-UHFFFAOYSA-N 1 0 420.510 3.666 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1)CC1CC1 ZINC000486944042 999014443 /nfs/dbraw/zinc/01/44/43/999014443.db2.gz UWJIYFSFLBDVFD-UHFFFAOYSA-N 1 0 409.477 3.776 20 5 HHBDRO COc1cc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc([N+](=O)[O-])c1OC ZINC000478613116 999047216 /nfs/dbraw/zinc/04/72/16/999047216.db2.gz ZYGJAWOKFLRNQQ-INIZCTEOSA-N 1 0 419.522 3.729 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000487182763 999090383 /nfs/dbraw/zinc/09/03/83/999090383.db2.gz CPGGMZGDQQDOOE-GOSISDBHSA-N 1 0 408.861 3.532 20 5 HHBDRO C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487285109 999124262 /nfs/dbraw/zinc/12/42/62/999124262.db2.gz HPOKNCHHPWNBBP-APWZRJJASA-N 1 0 408.502 3.810 20 5 HHBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487297894 999127649 /nfs/dbraw/zinc/12/76/49/999127649.db2.gz MEWMTKWIOALUOP-FUHWJXTLSA-N 1 0 404.470 3.783 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000478978698 999232387 /nfs/dbraw/zinc/23/23/87/999232387.db2.gz DBZOQZUGJDKTAU-GOSISDBHSA-N 1 0 403.504 3.748 20 5 HHBDRO Cc1ccc([C@@H](C)NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1[N+](=O)[O-] ZINC000487721877 999265513 /nfs/dbraw/zinc/26/55/13/999265513.db2.gz DUIIHMSLGAZYOY-QGZVFWFLSA-N 1 0 411.506 3.846 20 5 HHBDRO Cc1c(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000479320300 999383277 /nfs/dbraw/zinc/38/32/77/999383277.db2.gz NHUVMSBAOAYDRC-LPHOPBHVSA-N 1 0 402.520 3.847 20 5 HHBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488718552 999587088 /nfs/dbraw/zinc/58/70/88/999587088.db2.gz VGLOXCJDIXDQTK-SDDRHHMPSA-N 1 0 408.371 3.810 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)C1CC1 ZINC000479851265 999624754 /nfs/dbraw/zinc/62/47/54/999624754.db2.gz MPHWWAKPWWFJEX-ICSRJNTNSA-N 1 0 401.532 3.641 20 5 HHBDRO CCC(=O)c1ccc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000480005415 999683319 /nfs/dbraw/zinc/68/33/19/999683319.db2.gz HQSXUEYVAMBBKW-CYBMUJFWSA-N 1 0 401.492 3.732 20 5 HHBDRO CCC(=O)c1ccc(Sc2nnc(C3CC[NH2+]CC3)n2C(C)C)c([N+](=O)[O-])c1 ZINC000480006933 999683498 /nfs/dbraw/zinc/68/34/98/999683498.db2.gz QTDYSLWYERGNLD-UHFFFAOYSA-N 1 0 403.508 3.978 20 5 HHBDRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc([N+](=O)[O-])c1C ZINC000480010466 999684743 /nfs/dbraw/zinc/68/47/43/999684743.db2.gz DQNXKYDYELCDSA-KUHUBIRLSA-N 1 0 403.504 3.786 20 5 HHBDRO O=C(NCCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000480437448 999798846 /nfs/dbraw/zinc/79/88/46/999798846.db2.gz QCHOILQVIXASIE-UHFFFAOYSA-N 1 0 415.515 3.588 20 5 HHBDRO CCOc1cc2c(cc1OCC)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000489659371 999812145 /nfs/dbraw/zinc/81/21/45/999812145.db2.gz NWSBMKCTUVTOER-UHFFFAOYSA-N 1 0 413.474 3.779 20 5 HHBDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000480559894 999826681 /nfs/dbraw/zinc/82/66/81/999826681.db2.gz WIZOVQCVZMUJTL-UHFFFAOYSA-N 1 0 403.523 3.723 20 5 HHBDRO COc1cc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc([N+](=O)[O-])c1C ZINC000480576132 999830658 /nfs/dbraw/zinc/83/06/58/999830658.db2.gz GCJLMUKJMBOVNE-UHFFFAOYSA-N 1 0 412.490 3.686 20 5 HHBDRO COC(=O)c1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)c([N+](=O)[O-])c1 ZINC000489759594 999832469 /nfs/dbraw/zinc/83/24/69/999832469.db2.gz YBMUAAXSRJXXQP-QGZVFWFLSA-N 1 0 411.458 3.541 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000480671859 999855743 /nfs/dbraw/zinc/85/57/43/999855743.db2.gz SWHWXHLPQRBLIV-HOTGVXAUSA-N 1 0 406.504 3.815 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480685558 999858918 /nfs/dbraw/zinc/85/89/18/999858918.db2.gz AHTGZRJPGXXOGI-SPLOXXLWSA-N 1 0 411.437 3.564 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000489967135 999870333 /nfs/dbraw/zinc/87/03/33/999870333.db2.gz ROGSHILQMUNLMY-INIZCTEOSA-N 1 0 416.453 3.776 20 5 HHBDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000490090307 999891693 /nfs/dbraw/zinc/89/16/93/999891693.db2.gz UDCOEYMPFJQGPR-OAHLLOKOSA-N 1 0 417.428 3.616 20 5 HHBDRO COc1cc(CN(C)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490353183 999943066 /nfs/dbraw/zinc/94/30/66/999943066.db2.gz DFOAJLFAOIXMOD-OAHLLOKOSA-N 1 0 401.454 3.554 20 5 HHBDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000490365780 999945391 /nfs/dbraw/zinc/94/53/91/999945391.db2.gz MADYKMHHDDIXRM-UHFFFAOYSA-N 1 0 408.462 3.864 20 5 HHBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000490542803 999974960 /nfs/dbraw/zinc/97/49/60/999974960.db2.gz KBQGYFXDHBUBCE-HIFRSBDPSA-N 1 0 401.454 3.552 20 5 HHBDRO Cc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000493034458 1000154853 /nfs/dbraw/zinc/15/48/53/1000154853.db2.gz RAHNTOVLYPAZSN-INIZCTEOSA-N 1 0 402.470 3.877 20 5 HHBDRO Cc1cc(C)c(S(=O)(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000493916485 1000212686 /nfs/dbraw/zinc/21/26/86/1000212686.db2.gz KGLHZJCTEOKMHO-KRWDZBQOSA-N 1 0 417.531 3.716 20 5 HHBDRO Nc1c(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000493965540 1000241845 /nfs/dbraw/zinc/24/18/45/1000241845.db2.gz RYFDUXPKLXKJRT-UHFFFAOYSA-N 1 0 400.454 3.622 20 5 HHBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000493972937 1000246431 /nfs/dbraw/zinc/24/64/31/1000246431.db2.gz FIEPPHOYTSJCJT-KRWDZBQOSA-N 1 0 408.483 3.723 20 5 HHBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000493973425 1000246469 /nfs/dbraw/zinc/24/64/69/1000246469.db2.gz RHEHVXSAPXETCH-KRWDZBQOSA-N 1 0 408.483 3.723 20 5 HHBDRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)ccc1OC ZINC000504556640 1000268131 /nfs/dbraw/zinc/26/81/31/1000268131.db2.gz WFKDLHKQKSPINB-UHFFFAOYSA-N 1 0 401.463 3.885 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1[N+](=O)[O-] ZINC000504894043 1000433231 /nfs/dbraw/zinc/43/32/31/1000433231.db2.gz JPHFFFWGROGVAA-BBWFWOEESA-N 1 0 414.506 3.853 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504899595 1000435928 /nfs/dbraw/zinc/43/59/28/1000435928.db2.gz JDZVXBAGVWYSON-IIBYNOLFSA-N 1 0 417.481 3.857 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000504900105 1000436589 /nfs/dbraw/zinc/43/65/89/1000436589.db2.gz RJSOULOCCQZRRI-HNNXBMFYSA-N 1 0 403.454 3.820 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000504911512 1000443763 /nfs/dbraw/zinc/44/37/63/1000443763.db2.gz HMZBKNOLRUBMAM-YCRPNKLZSA-N 1 0 413.474 3.962 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccc(C)o2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504921899 1000449727 /nfs/dbraw/zinc/44/97/27/1000449727.db2.gz VYZKVQOTZRYGDR-APWZRJJASA-N 1 0 403.479 3.619 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000504925824 1000451945 /nfs/dbraw/zinc/45/19/45/1000451945.db2.gz FONAZMTUZKQCMS-WMQCIHAUSA-N 1 0 413.518 3.527 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000504927827 1000453416 /nfs/dbraw/zinc/45/34/16/1000453416.db2.gz VHDQTOCCXKGONU-GJZGRUSLSA-N 1 0 421.519 3.656 20 5 HHBDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000494463118 1000504911 /nfs/dbraw/zinc/50/49/11/1000504911.db2.gz JHFVEPKEUXUACI-UHFFFAOYSA-N 1 0 417.531 3.891 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000494478989 1000514359 /nfs/dbraw/zinc/51/43/59/1000514359.db2.gz WMDKUYNVBXXASS-YLJYHZDGSA-N 1 0 419.865 3.705 20 5 HHBDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494500535 1000526537 /nfs/dbraw/zinc/52/65/37/1000526537.db2.gz AIHQKRFMMZSKLL-FJNPEDAXSA-N 1 0 407.829 3.834 20 5 HHBDRO COc1ccc(OCC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000494515075 1000534251 /nfs/dbraw/zinc/53/42/51/1000534251.db2.gz XTFRCWUGUUFJBH-APWZRJJASA-N 1 0 410.829 3.895 20 5 HHBDRO CC(C)[NH2+]C1CCN([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000495030600 1000788930 /nfs/dbraw/zinc/78/89/30/1000788930.db2.gz YHSZFXBBDNJWDJ-AWEZNQCLSA-N 1 0 417.535 3.508 20 5 HHBDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccccc1 ZINC000505481568 1000807929 /nfs/dbraw/zinc/80/79/29/1000807929.db2.gz SPALINLSRNAVPC-GOSISDBHSA-N 1 0 410.474 3.516 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000505487616 1000813447 /nfs/dbraw/zinc/81/34/47/1000813447.db2.gz JINSHMRRZNQAOA-SFHVURJKSA-N 1 0 401.532 4.000 20 5 HHBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000495290264 1000954081 /nfs/dbraw/zinc/95/40/81/1000954081.db2.gz MZFIRNWTDPQTKA-GFCCVEGCSA-N 1 0 419.469 3.894 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(n4cc(Cl)cn4)CC3)o2)c1 ZINC000506047184 1001189469 /nfs/dbraw/zinc/18/94/69/1001189469.db2.gz ILSXAHGUGDERSA-UHFFFAOYSA-N 1 0 401.854 3.979 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000496644328 1001209251 /nfs/dbraw/zinc/20/92/51/1001209251.db2.gz TYUBUQOJORPQQC-AZUAARDMSA-N 1 0 415.515 3.509 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(Br)c1 ZINC000497101815 1001270587 /nfs/dbraw/zinc/27/05/87/1001270587.db2.gz ZAJKTVZGFKUYDT-YJBOKZPZSA-N 1 0 420.307 3.652 20 5 HHBDRO C[N@@H+]1C[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](c2ccccc2)C1 ZINC000497427872 1001359075 /nfs/dbraw/zinc/35/90/75/1001359075.db2.gz HDWMCYUQNPEDNK-ROUUACIJSA-N 1 0 408.483 3.546 20 5 HHBDRO O=[N+]([O-])c1cc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2c(c1)COCO2 ZINC000506417055 1001403380 /nfs/dbraw/zinc/40/33/80/1001403380.db2.gz PHABBTGLSQLQSX-UHFFFAOYSA-N 1 0 423.391 3.802 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000497637276 1001467932 /nfs/dbraw/zinc/46/79/32/1001467932.db2.gz RZPNZNZRDCYKJJ-GASCZTMLSA-N 1 0 417.893 3.787 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000497697504 1001488750 /nfs/dbraw/zinc/48/87/50/1001488750.db2.gz YMRPFYKIVDLIIC-UHFFFAOYSA-N 1 0 418.519 3.931 20 5 HHBDRO Cc1ccc([C@H](CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000506735668 1001509419 /nfs/dbraw/zinc/50/94/19/1001509419.db2.gz YJTFTCIPZAHJBP-IBGZPJMESA-N 1 0 400.479 3.883 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000506780728 1001526476 /nfs/dbraw/zinc/52/64/76/1001526476.db2.gz YBAKSLDDSJUEAB-UHFFFAOYSA-N 1 0 405.380 3.812 20 5 HHBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[NH+]2CCCC2)o1 ZINC000506796386 1001534758 /nfs/dbraw/zinc/53/47/58/1001534758.db2.gz INVVYKLHWMRRGY-FQEVSTJZSA-N 1 0 412.490 3.981 20 5 HHBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[NH+]2CCCC2)o1 ZINC000506796387 1001534916 /nfs/dbraw/zinc/53/49/16/1001534916.db2.gz INVVYKLHWMRRGY-HXUWFJFHSA-N 1 0 412.490 3.981 20 5 HHBDRO COc1ccc([C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[NH+]2CCCC2)cc1 ZINC000497972423 1001585475 /nfs/dbraw/zinc/58/54/75/1001585475.db2.gz SVNLHZYFUZSTCW-QFIPXVFZSA-N 1 0 422.485 3.511 20 5 HHBDRO CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000506925261 1001596539 /nfs/dbraw/zinc/59/65/39/1001596539.db2.gz DNRLPEUEAHXUCU-UHFFFAOYSA-N 1 0 405.539 3.862 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000498045212 1001620329 /nfs/dbraw/zinc/62/03/29/1001620329.db2.gz UJWDUSVWPZTCNA-XLIONFOSSA-N 1 0 416.547 3.923 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000498113744 1001646685 /nfs/dbraw/zinc/64/66/85/1001646685.db2.gz INMIGZRQGFHJEN-SFHVURJKSA-N 1 0 408.861 3.532 20 5 HHBDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498129629 1001654248 /nfs/dbraw/zinc/65/42/48/1001654248.db2.gz PDAXOVBZXXVDDC-UHFFFAOYSA-N 1 0 414.531 3.625 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000498246867 1001729156 /nfs/dbraw/zinc/72/91/56/1001729156.db2.gz ZAVIFRNIXQILGT-UHFFFAOYSA-N 1 0 420.416 3.590 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccsc1 ZINC000498353220 1001790850 /nfs/dbraw/zinc/79/08/50/1001790850.db2.gz LVQBHQZRWQOCRB-LJQANCHMSA-N 1 0 400.504 3.810 20 5 HHBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000498376494 1001806773 /nfs/dbraw/zinc/80/67/73/1001806773.db2.gz ZHVXYCRKEUTMRG-GOEBONIOSA-N 1 0 422.279 3.622 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000507099557 1001808116 /nfs/dbraw/zinc/80/81/16/1001808116.db2.gz BKXKPPBKWZOIGU-UHFFFAOYSA-N 1 0 424.545 3.954 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000498409253 1001837818 /nfs/dbraw/zinc/83/78/18/1001837818.db2.gz KDFHJYINUVEDPB-FUHWJXTLSA-N 1 0 404.470 3.926 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507256273 1001939665 /nfs/dbraw/zinc/93/96/65/1001939665.db2.gz UXDNOXBPYWBNFW-UHFFFAOYSA-N 1 0 416.453 3.648 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507605027 1002212019 /nfs/dbraw/zinc/21/20/19/1002212019.db2.gz MAHZASRUAZIVDM-UHFFFAOYSA-N 1 0 407.474 3.796 20 5 HHBDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3csc([N+](=O)[O-])c3)c(OCC)c2)CC1 ZINC000507621521 1002225785 /nfs/dbraw/zinc/22/57/85/1002225785.db2.gz OSSOLMXADNYWFK-UHFFFAOYSA-N 1 0 418.519 3.839 20 5 HHBDRO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000507633087 1002235444 /nfs/dbraw/zinc/23/54/44/1002235444.db2.gz CPCJOOVFASPZLS-UHFFFAOYSA-N 1 0 411.502 3.990 20 5 HHBDRO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000507683459 1002276336 /nfs/dbraw/zinc/27/63/36/1002276336.db2.gz KHMXMPBNCHNLCG-KXBFYZLASA-N 1 0 403.429 3.929 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000507848947 1002387693 /nfs/dbraw/zinc/38/76/93/1002387693.db2.gz BVHCJLJJTCGNOQ-UHFFFAOYSA-N 1 0 413.474 3.857 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC3(C)CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000507854728 1002391501 /nfs/dbraw/zinc/39/15/01/1002391501.db2.gz HRSVPDRTBIIOQZ-CALCHBBNSA-N 1 0 402.539 3.539 20 5 HHBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000499110237 1002500315 /nfs/dbraw/zinc/50/03/15/1002500315.db2.gz JAMMHMAIHKEUOI-BEFAXECRSA-N 1 0 400.479 3.575 20 5 HHBDRO COc1cc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000499147521 1002531317 /nfs/dbraw/zinc/53/13/17/1002531317.db2.gz FGFNSLCDYPYHCI-MRXNPFEDSA-N 1 0 423.416 3.546 20 5 HHBDRO CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000508133519 1002666097 /nfs/dbraw/zinc/66/60/97/1002666097.db2.gz KUUJZBLOAUDBAA-OAQYLSRUSA-N 1 0 410.518 3.570 20 5 HHBDRO CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499530975 1002917540 /nfs/dbraw/zinc/91/75/40/1002917540.db2.gz OKCJKIRONFYFRM-UHFFFAOYSA-N 1 0 419.485 3.517 20 5 HHBDRO CC[N@H+](CCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1)CC1CC1 ZINC000508527989 1003006450 /nfs/dbraw/zinc/00/64/50/1003006450.db2.gz RZJBAFRSZQITOC-UHFFFAOYSA-N 1 0 412.538 3.729 20 5 HHBDRO COc1cc(CN(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000508554633 1003026984 /nfs/dbraw/zinc/02/69/84/1003026984.db2.gz VFXMDTFWNUZKLJ-IBGZPJMESA-N 1 0 413.518 3.956 20 5 HHBDRO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000500076284 1003430169 /nfs/dbraw/zinc/43/01/69/1003430169.db2.gz SPUAOYQIOHIFGX-NRFANRHFSA-N 1 0 411.437 3.517 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000509005953 1003478003 /nfs/dbraw/zinc/47/80/03/1003478003.db2.gz VYOBOWQJEPBTNK-HZPDHXFCSA-N 1 0 409.552 3.716 20 5 HHBDRO CC(C)N(C)C(=O)C1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000509521738 1003921128 /nfs/dbraw/zinc/92/11/28/1003921128.db2.gz ASOYHODIFULPHG-UHFFFAOYSA-N 1 0 402.520 3.797 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000500758881 1003940964 /nfs/dbraw/zinc/94/09/64/1003940964.db2.gz NGPVZMQOTJCWEW-QGZVFWFLSA-N 1 0 424.501 3.585 20 5 HHBDRO Cc1sc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000500909612 1004045386 /nfs/dbraw/zinc/04/53/86/1004045386.db2.gz RUJYRIKIRAEBRI-UHFFFAOYSA-N 1 0 422.938 3.560 20 5 HHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000512168330 1004072410 /nfs/dbraw/zinc/07/24/10/1004072410.db2.gz VKJDCLPSMJTPQY-JOCHJYFZSA-N 1 0 422.529 3.963 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000501036978 1004139847 /nfs/dbraw/zinc/13/98/47/1004139847.db2.gz ORSSUVQPUPVMRB-YLJYHZDGSA-N 1 0 401.438 3.915 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000501036977 1004140226 /nfs/dbraw/zinc/14/02/26/1004140226.db2.gz ORSSUVQPUPVMRB-XLIONFOSSA-N 1 0 401.438 3.915 20 5 HHBDRO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000512276931 1004177956 /nfs/dbraw/zinc/17/79/56/1004177956.db2.gz AUTSTWFMJLQOEL-UHFFFAOYSA-N 1 0 413.522 3.761 20 5 HHBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512292884 1004196064 /nfs/dbraw/zinc/19/60/64/1004196064.db2.gz QXICYIGTYXEGGE-FDDCHVKYSA-N 1 0 408.502 3.520 20 5 HHBDRO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000512444715 1004306885 /nfs/dbraw/zinc/30/68/85/1004306885.db2.gz RJWSHBXZKSXXDN-INIZCTEOSA-N 1 0 416.453 3.776 20 5 HHBDRO COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000512444716 1004307144 /nfs/dbraw/zinc/30/71/44/1004307144.db2.gz RJWSHBXZKSXXDN-MRXNPFEDSA-N 1 0 416.453 3.776 20 5 HHBDRO C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000501247164 1004311150 /nfs/dbraw/zinc/31/11/50/1004311150.db2.gz INKLXLDVXRMHIS-LIRRHRJNSA-N 1 0 404.898 3.781 20 5 HHBDRO C[C@@H]1C[C@@H](CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[N@@H+]1Cc1ccccc1 ZINC000510129390 1004344313 /nfs/dbraw/zinc/34/43/13/1004344313.db2.gz NDPNLNXGMBBSOT-UYAOXDASSA-N 1 0 420.513 3.966 20 5 HHBDRO C[C@@H]1C[C@@H](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[N@@H+]1Cc1ccccc1 ZINC000512543946 1004373875 /nfs/dbraw/zinc/37/38/75/1004373875.db2.gz DEFGSCPELWBROC-NVXWUHKLSA-N 1 0 407.474 3.502 20 5 HHBDRO CC[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(OC)c(OC)c1 ZINC000510185961 1004383196 /nfs/dbraw/zinc/38/31/96/1004383196.db2.gz QCFWAOANHFDJKK-MRXNPFEDSA-N 1 0 415.446 3.651 20 5 HHBDRO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000512588503 1004404327 /nfs/dbraw/zinc/40/43/27/1004404327.db2.gz VXRZJMPKJIDKGJ-ZWKOTPCHSA-N 1 0 402.539 3.825 20 5 HHBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000510244992 1004421618 /nfs/dbraw/zinc/42/16/18/1004421618.db2.gz SPPLNIHETVCGMN-BBRMVZONSA-N 1 0 417.462 3.689 20 5 HHBDRO O=C([C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCSCC1 ZINC000512687186 1004494092 /nfs/dbraw/zinc/49/40/92/1004494092.db2.gz NPBSHHBTSYJWKB-SFHVURJKSA-N 1 0 417.556 3.863 20 5 HHBDRO CCOc1cc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000501534226 1004497769 /nfs/dbraw/zinc/49/77/69/1004497769.db2.gz KWGPPVYHDBETDQ-LSDHHAIUSA-N 1 0 408.499 3.777 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000510410600 1004547023 /nfs/dbraw/zinc/54/70/23/1004547023.db2.gz AECMXNINCCNRQK-UHFFFAOYSA-N 1 0 423.448 3.615 20 5 HHBDRO CCOc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000510526518 1004655112 /nfs/dbraw/zinc/65/51/12/1004655112.db2.gz PNUUCVUNRZABHL-BTYIYWSLSA-N 1 0 415.490 3.732 20 5 HHBDRO CCOc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000510526520 1004655121 /nfs/dbraw/zinc/65/51/21/1004655121.db2.gz PNUUCVUNRZABHL-QVKFZJNVSA-N 1 0 415.490 3.732 20 5 HHBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510547540 1004681396 /nfs/dbraw/zinc/68/13/96/1004681396.db2.gz KNYSALQPMRKTRC-UGSOOPFHSA-N 1 0 407.417 3.926 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000513007107 1004755686 /nfs/dbraw/zinc/75/56/86/1004755686.db2.gz JFHLFXNNRCXJGI-ZROIWOOFSA-N 1 0 402.882 3.874 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3CN3CCOCC3)o2)c(Cl)c1 ZINC000510620294 1004758936 /nfs/dbraw/zinc/75/89/36/1004758936.db2.gz RRUCKFXGOJFCNZ-INIZCTEOSA-N 1 0 405.882 3.805 20 5 HHBDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3c(F)cc([N+](=O)[O-])cc3F)CCN2C2CC2)c1 ZINC000510642118 1004773568 /nfs/dbraw/zinc/77/35/68/1004773568.db2.gz YTWYOXYHBMJEDK-NHCUHLMSSA-N 1 0 403.429 3.949 20 5 HHBDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000513067382 1004789386 /nfs/dbraw/zinc/78/93/86/1004789386.db2.gz DXOVAOKPPINEQG-DBLGQFABSA-N 1 0 403.508 3.665 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@@]4(CCc5ccccc54)C3)o2)c1 ZINC000510676349 1004793462 /nfs/dbraw/zinc/79/34/62/1004793462.db2.gz UNCYUDJCNAXHMO-QHCPKHFHSA-N 1 0 405.454 3.966 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000510750287 1004831572 /nfs/dbraw/zinc/83/15/72/1004831572.db2.gz TUZGGULSYLQKMP-OAQYLSRUSA-N 1 0 401.463 3.928 20 5 HHBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000510836442 1004883094 /nfs/dbraw/zinc/88/30/94/1004883094.db2.gz XJQYVZOIXJVLJZ-OAHLLOKOSA-N 1 0 420.416 3.982 20 5 HHBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000513302240 1004902861 /nfs/dbraw/zinc/90/28/61/1004902861.db2.gz SZBLPHFHWVHWBR-HXUWFJFHSA-N 1 0 408.502 3.589 20 5 HHBDRO CC[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000510899339 1004920059 /nfs/dbraw/zinc/92/00/59/1004920059.db2.gz UAWPXHGZAFJWAJ-NRFANRHFSA-N 1 0 410.518 3.616 20 5 HHBDRO COc1ccccc1O[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000513364906 1004927066 /nfs/dbraw/zinc/92/70/66/1004927066.db2.gz BSKLCRCKGMYBPL-GOSISDBHSA-N 1 0 413.474 3.784 20 5 HHBDRO CC1(c2nc3ccccc3s2)CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000511062898 1005003135 /nfs/dbraw/zinc/00/31/35/1005003135.db2.gz FNYCJGFKAJNKQQ-UHFFFAOYSA-N 1 0 410.499 3.857 20 5 HHBDRO Cn1cc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000502314476 1005007233 /nfs/dbraw/zinc/00/72/33/1005007233.db2.gz ULPOSFUYQSOACW-GOSISDBHSA-N 1 0 420.517 3.908 20 5 HHBDRO CN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC[NH+](CCO)CC1 ZINC000513531715 1005008221 /nfs/dbraw/zinc/00/82/21/1005008221.db2.gz YNKIEDJJLPYDMU-UHFFFAOYSA-N 1 0 419.909 3.929 20 5 HHBDRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000502365498 1005037671 /nfs/dbraw/zinc/03/76/71/1005037671.db2.gz KRHJCMSBKYVGFA-UHFFFAOYSA-N 1 0 417.897 3.582 20 5 HHBDRO C[C@@H]1C[C@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000513668475 1005075184 /nfs/dbraw/zinc/07/51/84/1005075184.db2.gz ZFASQQOMMZOZQW-PIPMEXSNSA-N 1 0 405.502 3.670 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511288116 1005108780 /nfs/dbraw/zinc/10/87/80/1005108780.db2.gz PJIRLLBTJDLRLS-KKUMJFAQSA-N 1 0 409.914 3.785 20 5 HHBDRO COc1ccc(OCC[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)c([N+](=O)[O-])c1 ZINC000502552014 1005115375 /nfs/dbraw/zinc/11/53/75/1005115375.db2.gz OKRFHMHVWDUZGV-FQEVSTJZSA-N 1 0 406.866 3.627 20 5 HHBDRO COc1ccc(OCC[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)c([N+](=O)[O-])c1 ZINC000502552015 1005115436 /nfs/dbraw/zinc/11/54/36/1005115436.db2.gz OKRFHMHVWDUZGV-HXUWFJFHSA-N 1 0 406.866 3.627 20 5 HHBDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000513790120 1005128560 /nfs/dbraw/zinc/12/85/60/1005128560.db2.gz SDALOLWGEXIABN-RIFZZMRRSA-N 1 0 417.531 3.565 20 5 HHBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511369920 1005142630 /nfs/dbraw/zinc/14/26/30/1005142630.db2.gz QFAVKQDJJAPRTB-QWHCGFSZSA-N 1 0 410.312 3.740 20 5 HHBDRO Cn1ccnc1[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000514089138 1005260397 /nfs/dbraw/zinc/26/03/97/1005260397.db2.gz OVRFLKRESDAQEX-QHCPKHFHSA-N 1 0 419.529 3.714 20 5 HHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000511768965 1005316827 /nfs/dbraw/zinc/31/68/27/1005316827.db2.gz LPALTRIILXVBOU-NRFANRHFSA-N 1 0 410.518 3.737 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000514216134 1005317624 /nfs/dbraw/zinc/31/76/24/1005317624.db2.gz TXBMVGAAOXYIAW-HUUCEWRRSA-N 1 0 411.449 3.923 20 5 HHBDRO CC(C)[NH+]1CCN(c2cccc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000504416154 1005622888 /nfs/dbraw/zinc/62/28/88/1005622888.db2.gz NFFQQHXVNPKDGC-QGZVFWFLSA-N 1 0 411.506 3.564 20 5 HHBDRO C[N@@H+]1CC[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000534017389 1005987524 /nfs/dbraw/zinc/98/75/24/1005987524.db2.gz HCYWYUHWPRMMAZ-FUHWJXTLSA-N 1 0 423.391 3.711 20 5 HHBDRO O=C(Nc1nncs1)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000514693246 1006083409 /nfs/dbraw/zinc/08/34/09/1006083409.db2.gz MGQMTIZFOMAJKA-UHFFFAOYSA-N 1 0 413.459 3.557 20 5 HHBDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC2)cc1 ZINC000534226950 1006224643 /nfs/dbraw/zinc/22/46/43/1006224643.db2.gz QXWRFWDUOLHJAV-UHFFFAOYSA-N 1 0 422.485 3.727 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-] ZINC000514968658 1006225083 /nfs/dbraw/zinc/22/50/83/1006225083.db2.gz NTXRVPAOZDTSIJ-INIZCTEOSA-N 1 0 411.458 3.509 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-] ZINC000514968660 1006225134 /nfs/dbraw/zinc/22/51/34/1006225134.db2.gz NTXRVPAOZDTSIJ-MRXNPFEDSA-N 1 0 411.458 3.509 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000531556459 1006272153 /nfs/dbraw/zinc/27/21/53/1006272153.db2.gz QBDOYRIBTMTFKK-JXFKEZNVSA-N 1 0 411.502 3.755 20 5 HHBDRO CCCOc1cc(NC(=O)NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1OCCC ZINC000515103137 1006291554 /nfs/dbraw/zinc/29/15/54/1006291554.db2.gz OMVMXBRVRMAXCR-UHFFFAOYSA-N 1 0 420.510 3.921 20 5 HHBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000531703114 1006365877 /nfs/dbraw/zinc/36/58/77/1006365877.db2.gz GHEZBXOHLFCCEM-UNMCSNQZSA-N 1 0 408.502 3.791 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[C@@H]1c1cccs1 ZINC000531780283 1006420832 /nfs/dbraw/zinc/42/08/32/1006420832.db2.gz KTPBICCSWRTEII-OXQOHEQNSA-N 1 0 414.531 3.807 20 5 HHBDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000534472984 1006458874 /nfs/dbraw/zinc/45/88/74/1006458874.db2.gz KXLAOHRQXLUTIT-GOSISDBHSA-N 1 0 418.457 3.968 20 5 HHBDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000515516980 1006508931 /nfs/dbraw/zinc/50/89/31/1006508931.db2.gz MIVBNVRKRSHYIR-UHFFFAOYSA-N 1 0 411.911 3.569 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[N@@H+]1Cc1ccccc1 ZINC000534517370 1006513185 /nfs/dbraw/zinc/51/31/85/1006513185.db2.gz IZLZNOSEEHXDFG-XLIONFOSSA-N 1 0 408.502 3.716 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000531959425 1006547686 /nfs/dbraw/zinc/54/76/86/1006547686.db2.gz QQPNQMOMYITOEN-CYBMUJFWSA-N 1 0 406.280 3.907 20 5 HHBDRO C[C@@H]1CN([C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c2c(F)cccc2Cl)CCO1 ZINC000538332245 1006598614 /nfs/dbraw/zinc/59/86/14/1006598614.db2.gz FAOKDERBVXZNLF-AUUYWEPGSA-N 1 0 407.873 3.939 20 5 HHBDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cc4ccccc4c4cccnc34)C2)CC1 ZINC000532093505 1006628003 /nfs/dbraw/zinc/62/80/03/1006628003.db2.gz OJKTUKSFMAPSMX-HXUWFJFHSA-N 1 0 402.542 3.629 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000515733503 1006628866 /nfs/dbraw/zinc/62/88/66/1006628866.db2.gz WRVKLKRTIIMGAS-HNNXBMFYSA-N 1 0 421.494 3.587 20 5 HHBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000534693807 1006676418 /nfs/dbraw/zinc/67/64/18/1006676418.db2.gz ZQIHUEANZGZWJR-LJQANCHMSA-N 1 0 420.513 3.989 20 5 HHBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000534697230 1006682011 /nfs/dbraw/zinc/68/20/11/1006682011.db2.gz SUWNIWLPFFMMLI-OAQYLSRUSA-N 1 0 410.518 3.691 20 5 HHBDRO Cn1cc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538423302 1006690219 /nfs/dbraw/zinc/69/02/19/1006690219.db2.gz IMGIMLQHIJITCK-QGZVFWFLSA-N 1 0 402.520 3.530 20 5 HHBDRO C[C@@H](CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[S@@](C)=O ZINC000532208386 1006722649 /nfs/dbraw/zinc/72/26/49/1006722649.db2.gz SQGDECOOJJVHKC-GUNSETOZSA-N 1 0 412.515 3.694 20 5 HHBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c2c(c1)COCO2 ZINC000532242585 1006744127 /nfs/dbraw/zinc/74/41/27/1006744127.db2.gz LMAFMOSPBRYVQQ-WMZHIEFXSA-N 1 0 423.513 3.948 20 5 HHBDRO COC(=O)CC1([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCOCC1 ZINC000532296509 1006778718 /nfs/dbraw/zinc/77/87/18/1006778718.db2.gz MYAVJIJGSUTQNQ-UHFFFAOYSA-N 1 0 413.474 3.565 20 5 HHBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534847196 1006866615 /nfs/dbraw/zinc/86/66/15/1006866615.db2.gz FNTWGVJMVQNWIL-WBVHZDCISA-N 1 0 400.479 3.767 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000532530906 1006965583 /nfs/dbraw/zinc/96/55/83/1006965583.db2.gz XOHLOXYLGJTNDD-KBPBESRZSA-N 1 0 423.872 3.545 20 5 HHBDRO C[N@H+](CCN1CCCC1=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000538730387 1007009926 /nfs/dbraw/zinc/00/99/26/1007009926.db2.gz GPVSOFQNIFPIDN-UHFFFAOYSA-N 1 0 422.279 3.672 20 5 HHBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000538729984 1007011070 /nfs/dbraw/zinc/01/10/70/1007011070.db2.gz TZOOHQIKDYSPBJ-OAHLLOKOSA-N 1 0 403.866 3.999 20 5 HHBDRO COc1ccc(NC(=O)CC[NH+]2CCC(OCC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000532579798 1007014537 /nfs/dbraw/zinc/01/45/37/1007014537.db2.gz WRFTYGQOODASIK-UHFFFAOYSA-N 1 0 419.522 3.993 20 5 HHBDRO O=C1NCCCN1C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000538736893 1007018798 /nfs/dbraw/zinc/01/87/98/1007018798.db2.gz MRWXNLOQQMMUKT-UHFFFAOYSA-N 1 0 418.881 3.888 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000538750817 1007036373 /nfs/dbraw/zinc/03/63/73/1007036373.db2.gz ADBFCSBQOBAADA-CQSZACIVSA-N 1 0 417.428 3.616 20 5 HHBDRO C[C@@H](NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000538851650 1007125331 /nfs/dbraw/zinc/12/53/31/1007125331.db2.gz WODXVQRXTMRJCY-QGZVFWFLSA-N 1 0 411.506 3.999 20 5 HHBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000532821955 1007206673 /nfs/dbraw/zinc/20/66/73/1007206673.db2.gz HCNMNHHIHPRGPT-UHFFFAOYSA-N 1 0 424.545 3.838 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cc1OC ZINC000532823594 1007208465 /nfs/dbraw/zinc/20/84/65/1007208465.db2.gz IWPHELWLUSXHIX-UHFFFAOYSA-N 1 0 415.490 3.643 20 5 HHBDRO O=C(Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000538935877 1007219661 /nfs/dbraw/zinc/21/96/61/1007219661.db2.gz JVSWVOVJLJJVRP-UHFFFAOYSA-N 1 0 419.485 3.540 20 5 HHBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000532896854 1007274473 /nfs/dbraw/zinc/27/44/73/1007274473.db2.gz HMJMTTTUHHCUPI-UHFFFAOYSA-N 1 0 408.252 3.680 20 5 HHBDRO CC(C)[NH+]1CCC(N2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)CC1 ZINC000532905104 1007280845 /nfs/dbraw/zinc/28/08/45/1007280845.db2.gz WXZRFRGFCCVOJJ-UHFFFAOYSA-N 1 0 400.445 3.608 20 5 HHBDRO Cc1ccc(OC2CC[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)cc1 ZINC000532975034 1007344685 /nfs/dbraw/zinc/34/46/85/1007344685.db2.gz HZHALCWUESPDBN-UHFFFAOYSA-N 1 0 411.458 3.745 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539091641 1007380493 /nfs/dbraw/zinc/38/04/93/1007380493.db2.gz IKYWZEHBJSRUHG-FPTDNZKUSA-N 1 0 411.458 3.824 20 5 HHBDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1)CC(C)C ZINC000539114501 1007401272 /nfs/dbraw/zinc/40/12/72/1007401272.db2.gz JCVGYIAPLIVSKX-UHFFFAOYSA-N 1 0 415.531 3.503 20 5 HHBDRO COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1[N+](=O)[O-] ZINC000533044039 1007405213 /nfs/dbraw/zinc/40/52/13/1007405213.db2.gz DPGJNTQGAZPTKG-GOSISDBHSA-N 1 0 412.490 3.946 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000533062933 1007424614 /nfs/dbraw/zinc/42/46/14/1007424614.db2.gz JNFQFBHGRNPEQW-UHFFFAOYSA-N 1 0 403.866 3.791 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000535375726 1007437770 /nfs/dbraw/zinc/43/77/70/1007437770.db2.gz XIUOJOAVBAIYOL-CXAGYDPISA-N 1 0 419.865 3.737 20 5 HHBDRO COc1cc(C[NH2+]Cc2cccc(N(C)C)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000533178789 1007520737 /nfs/dbraw/zinc/52/07/37/1007520737.db2.gz GBPLUYJPANXISC-UHFFFAOYSA-N 1 0 422.485 3.933 20 5 HHBDRO COc1cc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000539252177 1007544885 /nfs/dbraw/zinc/54/48/85/1007544885.db2.gz CLSQFJAZMRUNSO-HNNXBMFYSA-N 1 0 401.463 3.704 20 5 HHBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000539276935 1007571705 /nfs/dbraw/zinc/57/17/05/1007571705.db2.gz PNHYHYOFBCSCSY-AWEZNQCLSA-N 1 0 405.838 3.699 20 5 HHBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1Cl ZINC000539288914 1007586605 /nfs/dbraw/zinc/58/66/05/1007586605.db2.gz GCZGJIOXERKKOO-IBGZPJMESA-N 1 0 405.838 3.902 20 5 HHBDRO CC(C)[NH+]1CCC(N2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)CC1 ZINC000535591029 1007607416 /nfs/dbraw/zinc/60/74/16/1007607416.db2.gz XZKFYZMLSVMGRZ-UHFFFAOYSA-N 1 0 409.534 3.652 20 5 HHBDRO COc1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000517405737 1007631222 /nfs/dbraw/zinc/63/12/22/1007631222.db2.gz AVRYJEQAGJULQK-LJQANCHMSA-N 1 0 412.433 3.638 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000535641074 1007646466 /nfs/dbraw/zinc/64/64/66/1007646466.db2.gz YJRIIEMPJYMLEV-UHFFFAOYSA-N 1 0 411.380 3.523 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000533346573 1007654445 /nfs/dbraw/zinc/65/44/45/1007654445.db2.gz OTCGUKAUFUTCEL-INIZCTEOSA-N 1 0 405.495 3.676 20 5 HHBDRO COc1ccc(NC(=O)CC[NH+]2CC(c3nc4ccccc4s3)C2)c([N+](=O)[O-])c1 ZINC000535664513 1007683341 /nfs/dbraw/zinc/68/33/41/1007683341.db2.gz BEAKTCBWEFZKCM-UHFFFAOYSA-N 1 0 412.471 3.641 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000533387476 1007701360 /nfs/dbraw/zinc/70/13/60/1007701360.db2.gz GGWZFRRTHXTIIM-UHFFFAOYSA-N 1 0 407.474 3.988 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3c(Cl)cccc3N3CCCC3)C2)nc1 ZINC000539405595 1007712160 /nfs/dbraw/zinc/71/21/60/1007712160.db2.gz FAFWGSLVLZOFHX-OAHLLOKOSA-N 1 0 401.898 3.930 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1 ZINC000539421664 1007727316 /nfs/dbraw/zinc/72/73/16/1007727316.db2.gz QDSXFQUISIBSRI-CZUORRHYSA-N 1 0 418.803 3.565 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000535696771 1007732253 /nfs/dbraw/zinc/73/22/53/1007732253.db2.gz PSQVIIOTFPQBQH-UHFFFAOYSA-N 1 0 409.486 3.732 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000533435982 1007749575 /nfs/dbraw/zinc/74/95/75/1007749575.db2.gz GITAIZLQNKBZET-UHFFFAOYSA-N 1 0 417.437 3.615 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cccc1[N+](=O)[O-] ZINC000533519591 1007838287 /nfs/dbraw/zinc/83/82/87/1007838287.db2.gz HXAIWFMPDNSFJM-OAHLLOKOSA-N 1 0 407.474 3.986 20 5 HHBDRO CCN(CC)C(=O)C1([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCCCC1 ZINC000533520095 1007839508 /nfs/dbraw/zinc/83/95/08/1007839508.db2.gz QHUKYPUUXMZTRU-UHFFFAOYSA-N 1 0 414.506 3.953 20 5 HHBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000517647332 1007858607 /nfs/dbraw/zinc/85/86/07/1007858607.db2.gz DHZAPCGHVRDRGX-UHFFFAOYSA-N 1 0 412.490 3.778 20 5 HHBDRO COc1ccc(C[C@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000539565235 1007880629 /nfs/dbraw/zinc/88/06/29/1007880629.db2.gz NRCBSYZJSAMQGK-INIZCTEOSA-N 1 0 424.501 3.981 20 5 HHBDRO O=C(c1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cc1)N1CCOCC1 ZINC000533580102 1007882894 /nfs/dbraw/zinc/88/28/94/1007882894.db2.gz LUHAYTZGEOCXLU-RBBKRZOGSA-N 1 0 423.513 3.568 20 5 HHBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000533602790 1007902883 /nfs/dbraw/zinc/90/28/83/1007902883.db2.gz ZGDUECOPBDEUMH-UHFFFAOYSA-N 1 0 420.307 3.998 20 5 HHBDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000533760516 1008086606 /nfs/dbraw/zinc/08/66/06/1008086606.db2.gz DLXQDIGEIPYBAR-GOSISDBHSA-N 1 0 407.474 3.664 20 5 HHBDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536095060 1008117302 /nfs/dbraw/zinc/11/73/02/1008117302.db2.gz JECRVYQGXWEYKG-UHFFFAOYSA-N 1 0 408.502 3.642 20 5 HHBDRO COC1CC[NH+](C2(CNC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CCCC2)CC1 ZINC000539842829 1008134183 /nfs/dbraw/zinc/13/41/83/1008134183.db2.gz KCCNADYDTOBPMF-UHFFFAOYSA-N 1 0 403.523 3.673 20 5 HHBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000539898070 1008171428 /nfs/dbraw/zinc/17/14/28/1008171428.db2.gz JXBDPOKGWSXOOZ-KRWDZBQOSA-N 1 0 401.438 3.826 20 5 HHBDRO CCOc1cc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c([N+](=O)[O-])cc1OC ZINC000539901098 1008173033 /nfs/dbraw/zinc/17/30/33/1008173033.db2.gz NMISXJJWVWTCKZ-UHFFFAOYSA-N 1 0 413.474 3.893 20 5 HHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2cnc(SC3CCCC3)nc2)n1 ZINC000518205114 1008205201 /nfs/dbraw/zinc/20/52/01/1008205201.db2.gz RDTSQXQHEOHYJQ-ROUUACIJSA-N 1 0 416.551 3.932 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 ZINC000533927331 1008210792 /nfs/dbraw/zinc/21/07/92/1008210792.db2.gz YNFSSDXBHFJFRD-LJQANCHMSA-N 1 0 400.866 3.691 20 5 HHBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000533944277 1008223205 /nfs/dbraw/zinc/22/32/05/1008223205.db2.gz GPRPHRBHTGQDCD-MRXNPFEDSA-N 1 0 406.486 3.960 20 5 HHBDRO O=C(c1cc(NCC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000540038266 1008250436 /nfs/dbraw/zinc/25/04/36/1008250436.db2.gz CGGFEFMXWAJTQD-UHFFFAOYSA-N 1 0 409.490 3.554 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1Cc1ccccc1 ZINC000533994524 1008254710 /nfs/dbraw/zinc/25/47/10/1008254710.db2.gz ONOYXFSASSWCKC-APWZRJJASA-N 1 0 406.486 3.788 20 5 HHBDRO CCOc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000518369284 1008278676 /nfs/dbraw/zinc/27/86/76/1008278676.db2.gz IJOGTZNENQUVDX-IHWFROFDSA-N 1 0 409.486 3.919 20 5 HHBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000540180377 1008325295 /nfs/dbraw/zinc/32/52/95/1008325295.db2.gz BADDZRKICLJEPE-QGZVFWFLSA-N 1 0 417.531 3.808 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000540186270 1008327673 /nfs/dbraw/zinc/32/76/73/1008327673.db2.gz QVFUMVFZBUZNAC-MRXNPFEDSA-N 1 0 415.515 3.871 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000518615300 1008366397 /nfs/dbraw/zinc/36/63/97/1008366397.db2.gz FEISBPMUTLNQFP-RHSMWYFYSA-N 1 0 423.267 3.642 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000518620657 1008368334 /nfs/dbraw/zinc/36/83/34/1008368334.db2.gz VVCSOWKXGWFGDC-MJGOQNOKSA-N 1 0 400.523 3.532 20 5 HHBDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000540328302 1008382203 /nfs/dbraw/zinc/38/22/03/1008382203.db2.gz UNVYMQYEUZJUSQ-UONOGXRCSA-N 1 0 417.462 3.607 20 5 HHBDRO COc1ccc(S(=O)(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000540333979 1008385046 /nfs/dbraw/zinc/38/50/46/1008385046.db2.gz UIONEIZZPMDOAF-UHFFFAOYSA-N 1 0 419.503 3.636 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)cccc1[N+](=O)[O-] ZINC000540341524 1008388836 /nfs/dbraw/zinc/38/88/36/1008388836.db2.gz UVJYDMUXXODVOS-QFIPXVFZSA-N 1 0 413.474 3.990 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)cccc1[N+](=O)[O-] ZINC000540341523 1008388890 /nfs/dbraw/zinc/38/88/90/1008388890.db2.gz UVJYDMUXXODVOS-JOCHJYFZSA-N 1 0 413.474 3.990 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540378671 1008407204 /nfs/dbraw/zinc/40/72/04/1008407204.db2.gz BJAVJJCCMZOSPZ-OAHLLOKOSA-N 1 0 405.458 3.947 20 5 HHBDRO COc1cc(C)c([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000540390430 1008413279 /nfs/dbraw/zinc/41/32/79/1008413279.db2.gz QXTBZDGLJWGRBO-HNNXBMFYSA-N 1 0 401.463 3.908 20 5 HHBDRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3csc([N+](=O)[O-])c3)cc2)C[C@H]1C ZINC000540440370 1008435397 /nfs/dbraw/zinc/43/53/97/1008435397.db2.gz XOCLHNLKTZQKQQ-HZPDHXFCSA-N 1 0 417.531 3.595 20 5 HHBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000540469061 1008443616 /nfs/dbraw/zinc/44/36/16/1008443616.db2.gz DGMMGSJBXNXZNN-KGLIPLIRSA-N 1 0 411.437 3.906 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCCc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000540475339 1008446465 /nfs/dbraw/zinc/44/64/65/1008446465.db2.gz NRRRSAMYQWBSEZ-CQSZACIVSA-N 1 0 407.417 3.514 20 5 HHBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc([S@@](C)=O)cc1 ZINC000542968783 1008542336 /nfs/dbraw/zinc/54/23/36/1008542336.db2.gz CHPNVKKJQSUHOJ-JHCVWZRZSA-N 1 0 409.895 3.663 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000519158274 1008568667 /nfs/dbraw/zinc/56/86/67/1008568667.db2.gz HMROWBYBHOUCKB-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549049969 1008616755 /nfs/dbraw/zinc/61/67/55/1008616755.db2.gz NADTZIPSQNTIBY-LJQANCHMSA-N 1 0 420.517 3.832 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000549086543 1008651364 /nfs/dbraw/zinc/65/13/64/1008651364.db2.gz UBLOALBLORMNEH-UHFFFAOYSA-N 1 0 415.412 3.529 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000543184237 1008758166 /nfs/dbraw/zinc/75/81/66/1008758166.db2.gz ZLHBHVSAGXGDGW-CABCVRRESA-N 1 0 402.344 3.757 20 5 HHBDRO CCc1ccc([C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000549229547 1008799590 /nfs/dbraw/zinc/79/95/90/1008799590.db2.gz XZMQVDUEQSBYAQ-WTOYTKOKSA-N 1 0 414.502 3.997 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCCS2(=O)=O)ccc1Oc1ccc(F)cc1 ZINC000543241094 1008810474 /nfs/dbraw/zinc/81/04/74/1008810474.db2.gz DPOFFGJPDVFWBF-QGZVFWFLSA-N 1 0 408.451 3.583 20 5 HHBDRO COc1cc(-c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)cc([N+](=O)[O-])c1OC ZINC000545753255 1008842104 /nfs/dbraw/zinc/84/21/04/1008842104.db2.gz OLRCKYRJAFQHRP-UHFFFAOYSA-N 1 0 402.382 3.530 20 5 HHBDRO COc1cc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543410498 1009004764 /nfs/dbraw/zinc/00/47/64/1009004764.db2.gz SYNWYCFZJXCVLN-CHWSQXEVSA-N 1 0 406.401 3.839 20 5 HHBDRO C[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000520002432 1009155528 /nfs/dbraw/zinc/15/55/28/1009155528.db2.gz BHOAXIPQQHNIOQ-GJZGRUSLSA-N 1 0 417.893 3.579 20 5 HHBDRO COc1cc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000543553726 1009157368 /nfs/dbraw/zinc/15/73/68/1009157368.db2.gz VEXVPBFZENYMID-WFASDCNBSA-N 1 0 408.401 3.902 20 5 HHBDRO Cc1cc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549553747 1009171468 /nfs/dbraw/zinc/17/14/68/1009171468.db2.gz CKKKOIINVLJUSC-UHFFFAOYSA-N 1 0 414.472 3.776 20 5 HHBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1nc2ccccc2s1 ZINC000543599152 1009203847 /nfs/dbraw/zinc/20/38/47/1009203847.db2.gz QIYOJSUCOVQGLS-UONOGXRCSA-N 1 0 419.528 3.760 20 5 HHBDRO C[NH+](C)C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000549616431 1009244249 /nfs/dbraw/zinc/24/42/49/1009244249.db2.gz BUNPYDVHCQTLSW-SFHVURJKSA-N 1 0 400.866 3.622 20 5 HHBDRO C[NH+](C)C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000549618744 1009247490 /nfs/dbraw/zinc/24/74/90/1009247490.db2.gz XBJSYVHZOBIOBO-SFHVURJKSA-N 1 0 416.909 3.881 20 5 HHBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C2)CC1 ZINC000543773652 1009341989 /nfs/dbraw/zinc/34/19/89/1009341989.db2.gz BEQHXSYRESDACS-HNNXBMFYSA-N 1 0 411.449 3.780 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000549934205 1009547070 /nfs/dbraw/zinc/54/70/70/1009547070.db2.gz DGCPXXSQHYCUPQ-UHFFFAOYSA-N 1 0 412.895 3.601 20 5 HHBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000546536253 1009556930 /nfs/dbraw/zinc/55/69/30/1009556930.db2.gz SUGIQQNMDVQECL-SFHVURJKSA-N 1 0 413.493 3.992 20 5 HHBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccnc2)cc1 ZINC000544120679 1009728830 /nfs/dbraw/zinc/72/88/30/1009728830.db2.gz WDLVOWDLVVAOAU-INIZCTEOSA-N 1 0 411.483 3.781 20 5 HHBDRO COc1cccc([C@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000544205498 1009811052 /nfs/dbraw/zinc/81/10/52/1009811052.db2.gz VDQJIZABTCKNDI-KRWDZBQOSA-N 1 0 423.922 3.768 20 5 HHBDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000544239316 1009850928 /nfs/dbraw/zinc/85/09/28/1009850928.db2.gz HEAFTOQQURNPPE-UHFFFAOYSA-N 1 0 416.481 3.820 20 5 HHBDRO CCc1ccc([C@H](NC[C@@H](C)C[NH+]2CCN(CC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544357275 1009983695 /nfs/dbraw/zinc/98/36/95/1009983695.db2.gz IWAKYWGIJCSSOV-WZONZLPQSA-N 1 0 414.550 3.703 20 5 HHBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544403064 1010022768 /nfs/dbraw/zinc/02/27/68/1010022768.db2.gz ZRGSDIULIXBJCE-HNNXBMFYSA-N 1 0 400.454 3.536 20 5 HHBDRO Cc1nn(CCC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)c(C)c1[N+](=O)[O-] ZINC000521036386 1010066276 /nfs/dbraw/zinc/06/62/76/1010066276.db2.gz CJAGTYSLDLTQKL-INIZCTEOSA-N 1 0 413.522 3.578 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000550655241 1010085729 /nfs/dbraw/zinc/08/57/29/1010085729.db2.gz SYAGZGUQRPFPSR-UHFFFAOYSA-N 1 0 400.317 3.904 20 5 HHBDRO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544568760 1010198231 /nfs/dbraw/zinc/19/82/31/1010198231.db2.gz DBDXRTLZQDPQDD-GFCCVEGCSA-N 1 0 417.314 3.896 20 5 HHBDRO C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccccc2)C1 ZINC000544570666 1010199084 /nfs/dbraw/zinc/19/90/84/1010199084.db2.gz QNKRPYFNHJKRDD-QXAKKESOSA-N 1 0 402.516 3.931 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000544575390 1010203881 /nfs/dbraw/zinc/20/38/81/1010203881.db2.gz GWZONNFNEQMBLE-NQIIRXRSSA-N 1 0 418.515 3.787 20 5 HHBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000547274599 1010219756 /nfs/dbraw/zinc/21/97/56/1010219756.db2.gz HSRFFDARUKKVRW-KRWDZBQOSA-N 1 0 405.514 3.982 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000544611778 1010237325 /nfs/dbraw/zinc/23/73/25/1010237325.db2.gz XHNOSEGMGICBGM-INIZCTEOSA-N 1 0 405.520 3.785 20 5 HHBDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000547364623 1010272277 /nfs/dbraw/zinc/27/22/77/1010272277.db2.gz AAKGYBMCUQLBSU-LAUBAEHRSA-N 1 0 421.497 3.972 20 5 HHBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCOc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000521431179 1010372884 /nfs/dbraw/zinc/37/28/84/1010372884.db2.gz ZOAFISZEZDRKCV-UHFFFAOYSA-N 1 0 410.396 3.600 20 5 HHBDRO CS[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@H]1[NH+](C)C ZINC000544790412 1010385970 /nfs/dbraw/zinc/38/59/70/1010385970.db2.gz IZBSFWFODZNNAX-RTBURBONSA-N 1 0 416.503 3.896 20 5 HHBDRO CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544894358 1010471201 /nfs/dbraw/zinc/47/12/01/1010471201.db2.gz PZINXFJWCBKPIE-HXUWFJFHSA-N 1 0 407.474 3.741 20 5 HHBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(c2ccccc2)CCCC1 ZINC000548168379 1010550394 /nfs/dbraw/zinc/55/03/94/1010550394.db2.gz LPKVLDKXBATCKC-KRWDZBQOSA-N 1 0 402.516 3.859 20 5 HHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000551410895 1010568868 /nfs/dbraw/zinc/56/88/68/1010568868.db2.gz ILUGYHCWPXWCRD-UZLBHIALSA-N 1 0 407.474 3.565 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000551454267 1010594795 /nfs/dbraw/zinc/59/47/95/1010594795.db2.gz ABYBTSZUKYLBAC-UHFFFAOYSA-N 1 0 423.391 3.823 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000548469829 1010637026 /nfs/dbraw/zinc/63/70/26/1010637026.db2.gz VIMBWEBDONMAET-QFIPXVFZSA-N 1 0 408.502 3.573 20 5 HHBDRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000521881645 1010683142 /nfs/dbraw/zinc/68/31/42/1010683142.db2.gz MSCXGGMIIFBVRW-ZDUSSCGKSA-N 1 0 411.911 3.656 20 5 HHBDRO C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000521957152 1010735839 /nfs/dbraw/zinc/73/58/39/1010735839.db2.gz UIUCPLWEXUCGTR-CABCVRRESA-N 1 0 405.882 3.652 20 5 HHBDRO CC(C)C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000545354084 1010746670 /nfs/dbraw/zinc/74/66/70/1010746670.db2.gz TXPONMNOFMBHPQ-FXAWDEMLSA-N 1 0 419.547 3.780 20 5 HHBDRO COc1ccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000548890017 1010753149 /nfs/dbraw/zinc/75/31/49/1010753149.db2.gz HSSDWIRMNJFMEF-OAQYLSRUSA-N 1 0 411.502 3.563 20 5 HHBDRO CCC(CC)(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[NH2+][C@H](C)c1ccccc1 ZINC000522206134 1010865614 /nfs/dbraw/zinc/86/56/14/1010865614.db2.gz VICYGTOUGMULNA-OAHLLOKOSA-N 1 0 413.474 3.963 20 5 HHBDRO Cc1ccc(C[C@@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccn2)cc1 ZINC000522380137 1010970059 /nfs/dbraw/zinc/97/00/59/1010970059.db2.gz XJPNSPRWWWRUCU-XZOQPEGZSA-N 1 0 416.481 3.977 20 5 HHBDRO CC1CCC([NH+]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)CC1 ZINC000522433275 1011008443 /nfs/dbraw/zinc/00/84/43/1011008443.db2.gz QMZAMGYARKJMQG-UHFFFAOYSA-N 1 0 412.437 3.924 20 5 HHBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000522784254 1011218234 /nfs/dbraw/zinc/21/82/34/1011218234.db2.gz XAVVVWHAWFQOAL-SFHVURJKSA-N 1 0 414.462 3.619 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000540622132 1011273661 /nfs/dbraw/zinc/27/36/61/1011273661.db2.gz NDVKQNISFULAGU-UYAOXDASSA-N 1 0 411.502 3.699 20 5 HHBDRO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000522911647 1011357218 /nfs/dbraw/zinc/35/72/18/1011357218.db2.gz DLSGWGFJGLYRFV-UHFFFAOYSA-N 1 0 421.856 3.661 20 5 HHBDRO C[C@@H]1C[C@@H](N(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000536233398 1011383253 /nfs/dbraw/zinc/38/32/53/1011383253.db2.gz LXAARUBADCFZRJ-NQIIRXRSSA-N 1 0 410.518 3.832 20 5 HHBDRO CCOc1ccc([C@@H](C)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1[N+](=O)[O-] ZINC000540749362 1011402142 /nfs/dbraw/zinc/40/21/42/1011402142.db2.gz BVLITTSGGWZMCG-DNVCBOLYSA-N 1 0 412.490 3.616 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)c([N+](=O)[O-])c1 ZINC000541023608 1011658056 /nfs/dbraw/zinc/65/80/56/1011658056.db2.gz DARCMBLABUOFQS-HUUCEWRRSA-N 1 0 423.473 3.775 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000536595098 1011758088 /nfs/dbraw/zinc/75/80/88/1011758088.db2.gz LIMHCIDNEUWWRM-UHFFFAOYSA-N 1 0 403.523 3.507 20 5 HHBDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000536659824 1011808110 /nfs/dbraw/zinc/80/81/10/1011808110.db2.gz IBIYJZLSFHTBLD-IBGZPJMESA-N 1 0 414.458 3.710 20 5 HHBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000536664910 1011816100 /nfs/dbraw/zinc/81/61/00/1011816100.db2.gz WELDLPUJWNQYJE-QFIPXVFZSA-N 1 0 414.458 3.567 20 5 HHBDRO CCCOc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OCC ZINC000536680960 1011844004 /nfs/dbraw/zinc/84/40/04/1011844004.db2.gz KITTZSAHXRZJHY-KRWDZBQOSA-N 1 0 400.479 3.864 20 5 HHBDRO NC(=O)c1ccc(N2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)cc1 ZINC000536681581 1011844600 /nfs/dbraw/zinc/84/46/00/1011844600.db2.gz MBFUYBBSBOFHGY-UHFFFAOYSA-N 1 0 422.510 3.744 20 5 HHBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000523392839 1011871615 /nfs/dbraw/zinc/87/16/15/1011871615.db2.gz BSQSQTAEZYXRTF-UHFFFAOYSA-N 1 0 400.504 3.809 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000536756404 1011947767 /nfs/dbraw/zinc/94/77/67/1011947767.db2.gz PKCWCJMXKUDLJH-ZFWWWQNUSA-N 1 0 406.401 3.838 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000541280970 1011973878 /nfs/dbraw/zinc/97/38/78/1011973878.db2.gz ANHHCPBLRJNCFF-SJORKVTESA-N 1 0 420.893 3.779 20 5 HHBDRO Cn1ccnc1[C@@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000552040146 1012060218 /nfs/dbraw/zinc/06/02/18/1012060218.db2.gz FDTYAIOLVVCKNT-VXKWHMMOSA-N 1 0 405.502 3.844 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000536837385 1012067608 /nfs/dbraw/zinc/06/76/08/1012067608.db2.gz FBDWFXVZUBAWMP-WMLDXEAASA-N 1 0 401.438 3.979 20 5 HHBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(-c3ccccc3[N+](=O)[O-])s1)CC2 ZINC000536843555 1012073369 /nfs/dbraw/zinc/07/33/69/1012073369.db2.gz DMIGPFDXZJESCO-KBPBESRZSA-N 1 0 413.503 3.727 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000536843836 1012073862 /nfs/dbraw/zinc/07/38/62/1012073862.db2.gz FTNSKOLKOZNVRY-MRXNPFEDSA-N 1 0 406.529 3.585 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000552076604 1012093778 /nfs/dbraw/zinc/09/37/78/1012093778.db2.gz ZWNFRMFOAXDTTM-OXJNMPFZSA-N 1 0 400.475 3.918 20 5 HHBDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536859959 1012094770 /nfs/dbraw/zinc/09/47/70/1012094770.db2.gz XTCQATCNOLPBCC-BBRMVZONSA-N 1 0 411.487 3.513 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000552147524 1012167568 /nfs/dbraw/zinc/16/75/68/1012167568.db2.gz KLPLFEQKYFUZTI-UHFFFAOYSA-N 1 0 408.483 3.827 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](C3CC3)[C@]3(CO)CCCO3)o2)c(Cl)c1 ZINC000552146939 1012168435 /nfs/dbraw/zinc/16/84/35/1012168435.db2.gz DZZGQJDYEBKRMK-WOJBJXKFSA-N 1 0 406.866 3.918 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCC3(CCC3)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000552279321 1012292652 /nfs/dbraw/zinc/29/26/52/1012292652.db2.gz ACJNTPPLMNZNLM-UHFFFAOYSA-N 1 0 414.506 3.953 20 5 HHBDRO CCc1ccc([C@H](NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549928 1012336848 /nfs/dbraw/zinc/33/68/48/1012336848.db2.gz LMHZCGSHUZCJAE-DRSNIGMVSA-N 1 0 401.507 3.929 20 5 HHBDRO CCc1ccc([C@@H]([NH2+]CCc2nnc3n2CCCCC3)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541552270 1012339505 /nfs/dbraw/zinc/33/95/05/1012339505.db2.gz ZUQDFDHGCFOJBE-QFIPXVFZSA-N 1 0 409.490 3.990 20 5 HHBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000541552497 1012339800 /nfs/dbraw/zinc/33/98/00/1012339800.db2.gz JCSFZHAGTFCPGT-LJQANCHMSA-N 1 0 418.444 3.922 20 5 HHBDRO CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000537074815 1012417696 /nfs/dbraw/zinc/41/76/96/1012417696.db2.gz WORQILURGVQXJU-LSDHHAIUSA-N 1 0 401.463 3.530 20 5 HHBDRO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000537078322 1012425492 /nfs/dbraw/zinc/42/54/92/1012425492.db2.gz AKSSLUMLOILZEP-HNNXBMFYSA-N 1 0 407.474 3.995 20 5 HHBDRO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(F)c1 ZINC000537123629 1012506273 /nfs/dbraw/zinc/50/62/73/1012506273.db2.gz AIXBOMNOXBPUFU-LJQANCHMSA-N 1 0 403.410 3.778 20 5 HHBDRO O=C(C[NH2+][C@@H](c1cccc(F)c1)C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000537130772 1012514742 /nfs/dbraw/zinc/51/47/42/1012514742.db2.gz YVMWQYSMTBBCMV-OAQYLSRUSA-N 1 0 415.421 3.922 20 5 HHBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cn(-c2ccccc2)nn1 ZINC000541690875 1012534393 /nfs/dbraw/zinc/53/43/93/1012534393.db2.gz JKRKPJFCULKPLM-OAHLLOKOSA-N 1 0 404.430 3.724 20 5 HHBDRO C[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541719810 1012571235 /nfs/dbraw/zinc/57/12/35/1012571235.db2.gz JXMSHVNOKLXEQR-GJZGRUSLSA-N 1 0 400.454 3.574 20 5 HHBDRO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537174774 1012579875 /nfs/dbraw/zinc/57/98/75/1012579875.db2.gz CDNSXQLCHCQPHG-GFCCVEGCSA-N 1 0 405.476 3.657 20 5 HHBDRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537174847 1012581906 /nfs/dbraw/zinc/58/19/06/1012581906.db2.gz GPGULZXLDXTMQK-MRXNPFEDSA-N 1 0 415.490 3.620 20 5 HHBDRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537174846 1012582308 /nfs/dbraw/zinc/58/23/08/1012582308.db2.gz GPGULZXLDXTMQK-INIZCTEOSA-N 1 0 415.490 3.620 20 5 HHBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000541737822 1012593080 /nfs/dbraw/zinc/59/30/80/1012593080.db2.gz CLLYTGQRDLQKQS-LBPRGKRZSA-N 1 0 402.394 3.738 20 5 HHBDRO COc1ccc(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000523907859 1012625399 /nfs/dbraw/zinc/62/53/99/1012625399.db2.gz IETSAMCCNUOPCS-INIZCTEOSA-N 1 0 412.490 3.628 20 5 HHBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541784224 1012654200 /nfs/dbraw/zinc/65/42/00/1012654200.db2.gz WSUVTPKCFZLGCN-UHFFFAOYSA-N 1 0 401.442 3.899 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000552717468 1012727648 /nfs/dbraw/zinc/72/76/48/1012727648.db2.gz MVOCBBZUAMHLBO-HNNXBMFYSA-N 1 0 401.463 3.706 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cccc1[N+](=O)[O-] ZINC000537290486 1012749743 /nfs/dbraw/zinc/74/97/43/1012749743.db2.gz JYGLPKWDLVSJQM-SPLOXXLWSA-N 1 0 411.458 3.742 20 5 HHBDRO C[NH+](C)CCOc1ccccc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552745124 1012751424 /nfs/dbraw/zinc/75/14/24/1012751424.db2.gz MZKJKENQYVLZDV-UHFFFAOYSA-N 1 0 408.252 3.550 20 5 HHBDRO CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000541944763 1012804874 /nfs/dbraw/zinc/80/48/74/1012804874.db2.gz HMWHSWLFCXTFPQ-KRWDZBQOSA-N 1 0 419.428 3.933 20 5 HHBDRO C[C@@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000541990531 1012867564 /nfs/dbraw/zinc/86/75/64/1012867564.db2.gz TZVJYMDRLWFSKG-OAHLLOKOSA-N 1 0 419.428 3.933 20 5 HHBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000524122159 1012899605 /nfs/dbraw/zinc/89/96/05/1012899605.db2.gz FWUJHBHLCGUBNL-PKOBYXMFSA-N 1 0 417.531 3.577 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)cc2)C1 ZINC000552962985 1012948947 /nfs/dbraw/zinc/94/89/47/1012948947.db2.gz LLVOUYVICIINMW-HZPDHXFCSA-N 1 0 421.501 4.334 20 5 HHBDRO CC[NH+](CC)CCOC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000912577876 1072248496 /nfs/dbraw/zinc/24/84/96/1072248496.db2.gz MIOSFEDUUQFSEE-UHFFFAOYSA-N 1 0 419.865 3.999 20 5 HHBDRO C[C@@](CO)([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000586776742 1072413662 /nfs/dbraw/zinc/41/36/62/1072413662.db2.gz CORFRACQVOPJLM-SFHVURJKSA-N 1 0 409.280 3.624 20 5 HHBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000586827682 1072467337 /nfs/dbraw/zinc/46/73/37/1072467337.db2.gz YSTGXIYFOUPTBI-DMUMMCEESA-N 1 0 414.550 3.776 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)n1 ZINC000587192461 1072518353 /nfs/dbraw/zinc/51/83/53/1072518353.db2.gz VTOJJUKZIRWKJI-KRWDZBQOSA-N 1 0 404.854 3.679 20 5 HHBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCC[C@@H]2CCCC[C@H]2O)c1 ZINC000554971963 1073027637 /nfs/dbraw/zinc/02/76/37/1073027637.db2.gz FIZGSAHBSZUVSU-XJKSGUPXSA-N 1 0 418.275 3.620 20 5 HHBDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC000588789175 1073211814 /nfs/dbraw/zinc/21/18/14/1073211814.db2.gz ZQHJLKVQVVZVMA-UHFFFAOYSA-N 1 0 409.446 3.609 20 5 HHBDRO C[NH+](C)CCOc1cnccc1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000588959870 1073358940 /nfs/dbraw/zinc/35/89/40/1073358940.db2.gz YEAVSQJPBMPBPH-QHCPKHFHSA-N 1 0 406.486 3.809 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CC(Cc3cccc(C(F)(F)F)c3)C2)c1 ZINC000589960515 1073404475 /nfs/dbraw/zinc/40/44/75/1073404475.db2.gz CRKACQHLXBXWBB-GOSISDBHSA-N 1 0 410.392 3.528 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000590078187 1073515310 /nfs/dbraw/zinc/51/53/10/1073515310.db2.gz TUOSBTWGJJBIOX-UHFFFAOYSA-N 1 0 409.486 3.732 20 5 HHBDRO O=C(C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000555566371 1073633931 /nfs/dbraw/zinc/63/39/31/1073633931.db2.gz DDDZPWYQJIJTMQ-UHFFFAOYSA-N 1 0 421.856 3.707 20 5 HHBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000590345059 1073749993 /nfs/dbraw/zinc/74/99/93/1073749993.db2.gz KLHLLWYIWZDTLD-WMZOPIPTSA-N 1 0 411.506 3.719 20 5 HHBDRO COc1ccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)c(C)c1 ZINC000572983852 1073877325 /nfs/dbraw/zinc/87/73/25/1073877325.db2.gz DKFJQYWGOXKRIG-UHFFFAOYSA-N 1 0 412.227 3.806 20 5 HHBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000573057612 1074074633 /nfs/dbraw/zinc/07/46/33/1074074633.db2.gz IMRFEYRKVSPPON-OAQYLSRUSA-N 1 0 401.463 3.704 20 5 HHBDRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000573821887 1074650659 /nfs/dbraw/zinc/65/06/59/1074650659.db2.gz FIQIVWHYPUIKLL-AWEZNQCLSA-N 1 0 408.296 3.520 20 5 HHBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000574614893 1075302651 /nfs/dbraw/zinc/30/26/51/1075302651.db2.gz VHTHBTHDPONOFT-HXUWFJFHSA-N 1 0 410.518 3.739 20 5 HHBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000602220258 1075719596 /nfs/dbraw/zinc/71/95/96/1075719596.db2.gz NIQSKWREZZZVPW-UHFFFAOYSA-N 1 0 404.898 3.930 20 5 HHBDRO COc1cc2ncnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2cc1[N+](=O)[O-] ZINC001164620456 719079465 /nfs/dbraw/zinc/07/94/65/719079465.db2.gz FBLTZBRZIAKZMZ-UWJYYQICSA-N 1 0 419.485 3.647 20 5 HHBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835900 720537170 /nfs/dbraw/zinc/53/71/70/720537170.db2.gz IYPKDSYLWPHETR-HSALFYBXSA-N 1 0 420.517 3.717 20 5 HHBDRO CCOc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165024180 721819503 /nfs/dbraw/zinc/81/95/03/721819503.db2.gz JLUQILTXZCPFBY-YTQUADARSA-N 1 0 411.506 3.520 20 5 HHBDRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)C1 ZINC001165037264 721899496 /nfs/dbraw/zinc/89/94/96/721899496.db2.gz MAVQUECOALQEOA-AWEZNQCLSA-N 1 0 411.840 3.781 20 5 HHBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc([N+](=O)[O-])cc4Cl)CC3)C2)cc1 ZINC001164938828 721921239 /nfs/dbraw/zinc/92/12/39/721921239.db2.gz RYQAODFRNGEXGH-UHFFFAOYSA-N 1 0 416.909 3.823 20 5 HHBDRO C[C@@H]1C[NH+](CC2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000301149791 970772719 /nfs/dbraw/zinc/77/27/19/970772719.db2.gz CNWKNTLSKXKPKG-ZIAGYGMSSA-N 1 0 412.328 3.683 20 5 HHBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000301250774 970832524 /nfs/dbraw/zinc/83/25/24/970832524.db2.gz PQFSGRZRVSWBPF-UHFFFAOYSA-N 1 0 417.478 3.658 20 5 HHBDRO COc1c(C)cnc(C[NH+]2CCC(N(C)c3ncc([N+](=O)[O-])cc3Cl)CC2)c1C ZINC000301261561 970840876 /nfs/dbraw/zinc/84/08/76/970840876.db2.gz GKJFVWZNJMBTEA-UHFFFAOYSA-N 1 0 419.913 3.764 20 5 HHBDRO COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000301325847 970868879 /nfs/dbraw/zinc/86/88/79/970868879.db2.gz ARLWSDKXIRRBMR-GASCZTMLSA-N 1 0 403.454 3.964 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000301389475 970903541 /nfs/dbraw/zinc/90/35/41/970903541.db2.gz YFMMYLBZJQXVBK-ZDUSSCGKSA-N 1 0 402.373 3.977 20 5 HHBDRO Cc1cc(NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(Cl)cc1[N+](=O)[O-] ZINC000301460114 970939894 /nfs/dbraw/zinc/93/98/94/970939894.db2.gz YUONVLXHIABMDE-QGZVFWFLSA-N 1 0 416.909 3.866 20 5 HHBDRO C[C@H]1C[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301525857 970967474 /nfs/dbraw/zinc/96/74/74/970967474.db2.gz HSKKORCKYQRLNQ-JXFKEZNVSA-N 1 0 408.502 3.952 20 5 HHBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1O2 ZINC000301681257 971025560 /nfs/dbraw/zinc/02/55/60/971025560.db2.gz DEIIQGOWDNBOIS-QGZVFWFLSA-N 1 0 415.877 3.966 20 5 HHBDRO O=c1[nH]cnc2cc(N3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)c([N+](=O)[O-])cc21 ZINC000301724916 971042518 /nfs/dbraw/zinc/04/25/18/971042518.db2.gz UHIDWOMUVGKRPA-XLIONFOSSA-N 1 0 419.485 3.735 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301829466 971078727 /nfs/dbraw/zinc/07/87/27/971078727.db2.gz PAYAYQNLZSPIQZ-GASCZTMLSA-N 1 0 400.445 3.608 20 5 HHBDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000302124762 971181564 /nfs/dbraw/zinc/18/15/64/971181564.db2.gz FLJNADJTKAKRNW-UHFFFAOYSA-N 1 0 421.295 3.625 20 5 HHBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000302383102 971230290 /nfs/dbraw/zinc/23/02/90/971230290.db2.gz ZTJUGKQUYXJXPX-IRXDYDNUSA-N 1 0 402.539 3.680 20 5 HHBDRO CNC(=O)c1ccc(Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)c([N+](=O)[O-])c1 ZINC000302721506 971291291 /nfs/dbraw/zinc/29/12/91/971291291.db2.gz MGQDYXYOWXZUDK-UHFFFAOYSA-N 1 0 411.506 3.537 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000302811305 971330641 /nfs/dbraw/zinc/33/06/41/971330641.db2.gz HDODMXGAFDNEBI-QGZVFWFLSA-N 1 0 416.909 3.866 20 5 HHBDRO COc1ccc([C@@H](CNc2nc3sccn3c2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000302810794 971330713 /nfs/dbraw/zinc/33/07/13/971330713.db2.gz WDRYGWCOFIZWMF-MRXNPFEDSA-N 1 0 401.492 3.952 20 5 HHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000303027542 971464100 /nfs/dbraw/zinc/46/41/00/971464100.db2.gz WHMZWHRTDQTYHP-AWEZNQCLSA-N 1 0 423.485 3.944 20 5 HHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000303739262 971993348 /nfs/dbraw/zinc/99/33/48/971993348.db2.gz HVPMNXPNARCTJD-GOEBONIOSA-N 1 0 419.445 3.628 20 5 HHBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000524339657 1013165718 /nfs/dbraw/zinc/16/57/18/1013165718.db2.gz CNGKJJRSLTVDKQ-YVEFUNNKSA-N 1 0 409.364 3.950 20 5 HHBDRO COc1cc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000537632007 1013185554 /nfs/dbraw/zinc/18/55/54/1013185554.db2.gz KLKDMCQVRRTZEE-HNNXBMFYSA-N 1 0 419.444 3.851 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[NH+]2CCCC2)cc1 ZINC000006287660 960878688 /nfs/dbraw/zinc/87/86/88/960878688.db2.gz AUIKICZGNOWJGG-LJQANCHMSA-N 1 0 403.866 3.824 20 5 HHBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000542256723 1013216602 /nfs/dbraw/zinc/21/66/02/1013216602.db2.gz ZIJUCYBYXYYMQF-MRXNPFEDSA-N 1 0 414.430 3.711 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)n1 ZINC000553251892 1013218482 /nfs/dbraw/zinc/21/84/82/1013218482.db2.gz OFWRXDWYDRJDPW-INIZCTEOSA-N 1 0 404.492 3.723 20 5 HHBDRO CN(c1ccccc1)c1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1[N+](=O)[O-] ZINC000007126696 961030628 /nfs/dbraw/zinc/03/06/28/961030628.db2.gz ULLYPIZNFDPTSF-FQEVSTJZSA-N 1 0 413.441 4.000 20 5 HHBDRO CCC[NH+]1CCC(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000007230231 961079021 /nfs/dbraw/zinc/07/90/21/961079021.db2.gz CFHWWPPXGVXROS-UHFFFAOYSA-N 1 0 418.519 3.682 20 5 HHBDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1Br ZINC000007879322 961360118 /nfs/dbraw/zinc/36/01/18/961360118.db2.gz XMWXWTPFEHLCEW-LLVKDONJSA-N 1 0 408.252 3.655 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)n1 ZINC000553299614 1013256683 /nfs/dbraw/zinc/25/66/83/1013256683.db2.gz MSFBKPOETLPHFB-HOTGVXAUSA-N 1 0 412.490 3.866 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1OC ZINC000537697304 1013262444 /nfs/dbraw/zinc/26/24/44/1013262444.db2.gz RAPUIKDMXRSDND-UHFFFAOYSA-N 1 0 413.474 3.893 20 5 HHBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000015140094 962670984 /nfs/dbraw/zinc/67/09/84/962670984.db2.gz GWCNLBNXUYNAAR-UHFFFAOYSA-N 1 0 408.502 3.721 20 5 HHBDRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000016468060 963048453 /nfs/dbraw/zinc/04/84/53/963048453.db2.gz LXNJNGSRMGTIGG-UHFFFAOYSA-N 1 0 408.502 3.543 20 5 HHBDRO C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+](C2CCC2)C1 ZINC000553526218 1013425833 /nfs/dbraw/zinc/42/58/33/1013425833.db2.gz UXXPCZXUNSWVNR-CQSZACIVSA-N 1 0 400.504 3.665 20 5 HHBDRO Cc1c(Br)c(NCc2ccc(OCC[NH+](C)C)cc2)ncc1[N+](=O)[O-] ZINC000542521993 1013464443 /nfs/dbraw/zinc/46/44/43/1013464443.db2.gz MKYNSJMGADXWDZ-UHFFFAOYSA-N 1 0 409.284 3.613 20 5 HHBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000542529011 1013470721 /nfs/dbraw/zinc/47/07/21/1013470721.db2.gz JZGRPEODUWYLKV-CMPLNLGQSA-N 1 0 413.400 3.648 20 5 HHBDRO COc1cc(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000542531819 1013475043 /nfs/dbraw/zinc/47/50/43/1013475043.db2.gz MTBXRORFNQRPCS-KBPBESRZSA-N 1 0 413.465 3.947 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050034209 964245885 /nfs/dbraw/zinc/24/58/85/964245885.db2.gz TXLLGTCGCCDILV-CQSZACIVSA-N 1 0 404.492 3.699 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NC[C@@H](C)[NH+]3CCCC3)cc2[N+](=O)[O-])n1 ZINC000050171392 964280584 /nfs/dbraw/zinc/28/05/84/964280584.db2.gz AGWQDYUIZDIKEW-CYBMUJFWSA-N 1 0 406.533 3.725 20 5 HHBDRO C[NH+](C)CCOc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000050333003 964311859 /nfs/dbraw/zinc/31/18/59/964311859.db2.gz VFUAEGYSIRNYQN-UHFFFAOYSA-N 1 0 412.471 3.911 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050628491 964366959 /nfs/dbraw/zinc/36/69/59/964366959.db2.gz ALRPXQADLTXEOF-UHFFFAOYSA-N 1 0 410.499 3.922 20 5 HHBDRO CC(C)[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025917405 964390714 /nfs/dbraw/zinc/39/07/14/964390714.db2.gz RORFHQLYCSPZOK-OAQYLSRUSA-N 1 0 413.543 3.886 20 5 HHBDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1F ZINC000542551596 1013494939 /nfs/dbraw/zinc/49/49/39/1013494939.db2.gz SGAWAWGMSTVTHX-ZDUSSCGKSA-N 1 0 409.408 3.706 20 5 HHBDRO COc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000051133250 964470540 /nfs/dbraw/zinc/47/05/40/964470540.db2.gz JTNAELMHTHELFR-VGOFRKELSA-N 1 0 413.474 3.642 20 5 HHBDRO COc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000051133249 964470600 /nfs/dbraw/zinc/47/06/00/964470600.db2.gz JTNAELMHTHELFR-HTAPYJJXSA-N 1 0 413.474 3.642 20 5 HHBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000026224884 964492437 /nfs/dbraw/zinc/49/24/37/964492437.db2.gz HQAALHOKEZWIEJ-UHFFFAOYSA-N 1 0 422.279 3.827 20 5 HHBDRO Cc1cc(NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000553651507 1013522549 /nfs/dbraw/zinc/52/25/49/1013522549.db2.gz VFQYUNRFTUZVEJ-UHFFFAOYSA-N 1 0 413.865 3.572 20 5 HHBDRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])oc21 ZINC000542586789 1013526831 /nfs/dbraw/zinc/52/68/31/1013526831.db2.gz HNNKEPWASFVDBC-GDBMZVCRSA-N 1 0 400.431 3.830 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000027317338 964848525 /nfs/dbraw/zinc/84/85/25/964848525.db2.gz XSFUNSLKJKNCRN-LJQANCHMSA-N 1 0 416.547 3.925 20 5 HHBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027343853 964857858 /nfs/dbraw/zinc/85/78/58/964857858.db2.gz RAAOTWYKDYRWHL-IBGZPJMESA-N 1 0 403.866 3.580 20 5 HHBDRO COc1cc(CN2CC[NH+](Cc3cccc(C)c3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000027358609 964862700 /nfs/dbraw/zinc/86/27/00/964862700.db2.gz YDEBGTSJHCBHCP-UHFFFAOYSA-N 1 0 421.444 3.831 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC)[NH+]2CCCCC2)cc1 ZINC000027668349 964940103 /nfs/dbraw/zinc/94/01/03/964940103.db2.gz GQYJCEGGCVXQOH-HXUWFJFHSA-N 1 0 413.474 3.569 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000027766768 964966641 /nfs/dbraw/zinc/96/66/41/964966641.db2.gz JYCBCCOEWZFTEW-INIZCTEOSA-N 1 0 413.474 4.000 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000052823784 964993423 /nfs/dbraw/zinc/99/34/23/964993423.db2.gz DBCBDYVADFQONC-SFHVURJKSA-N 1 0 411.433 3.744 20 5 HHBDRO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1[N+](=O)[O-] ZINC000052829909 964996532 /nfs/dbraw/zinc/99/65/32/964996532.db2.gz AROPYQSZEYTQCJ-AWEZNQCLSA-N 1 0 404.854 3.503 20 5 HHBDRO Cn1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000052960124 965031647 /nfs/dbraw/zinc/03/16/47/965031647.db2.gz NJQNHVPDTQCYSW-NRFANRHFSA-N 1 0 419.485 3.562 20 5 HHBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000028335442 965078896 /nfs/dbraw/zinc/07/88/96/965078896.db2.gz KYVPWUCXSBWLKV-VXGBXAGGSA-N 1 0 404.854 3.884 20 5 HHBDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000028335437 965079130 /nfs/dbraw/zinc/07/91/30/965079130.db2.gz KYVPWUCXSBWLKV-RYUDHWBXSA-N 1 0 404.854 3.884 20 5 HHBDRO CNC(=O)c1ccc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000053553298 965213592 /nfs/dbraw/zinc/21/35/92/965213592.db2.gz HLVMVMXLEHJQJO-UHFFFAOYSA-N 1 0 402.882 3.684 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000537978613 1013554639 /nfs/dbraw/zinc/55/46/39/1013554639.db2.gz AOSSSPQJOALYNX-CYBMUJFWSA-N 1 0 406.280 3.746 20 5 HHBDRO CNC(=O)c1ccc(NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000053574744 965220740 /nfs/dbraw/zinc/22/07/40/965220740.db2.gz OGAAKYNCRDEEOQ-HXUWFJFHSA-N 1 0 412.490 3.602 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000537978775 1013554689 /nfs/dbraw/zinc/55/46/89/1013554689.db2.gz GSEVDOYPZJEZHC-CYBMUJFWSA-N 1 0 406.280 3.746 20 5 HHBDRO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000537979281 1013555429 /nfs/dbraw/zinc/55/54/29/1013555429.db2.gz ZQOZHENYXVQEMC-WMZOPIPTSA-N 1 0 423.469 3.561 20 5 HHBDRO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000537979279 1013555806 /nfs/dbraw/zinc/55/58/06/1013555806.db2.gz ZQOZHENYXVQEMC-FUHWJXTLSA-N 1 0 423.469 3.561 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000056997043 965244214 /nfs/dbraw/zinc/24/42/14/965244214.db2.gz HQDDAFCIIQUUMY-UHFFFAOYSA-N 1 0 412.309 3.623 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000057546191 965493737 /nfs/dbraw/zinc/49/37/37/965493737.db2.gz UERICGVROHCEKQ-KBPBESRZSA-N 1 0 417.428 3.634 20 5 HHBDRO CC[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000029908704 965553444 /nfs/dbraw/zinc/55/34/44/965553444.db2.gz DZGJXBYAKVXZNH-HXUWFJFHSA-N 1 0 408.502 3.736 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000058299569 965680962 /nfs/dbraw/zinc/68/09/62/965680962.db2.gz WYPUFJHEPJJVDC-VQTJNVASSA-N 1 0 411.458 3.752 20 5 HHBDRO C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000030507566 965710966 /nfs/dbraw/zinc/71/09/66/965710966.db2.gz QBPFZPWBYWVUPP-OAHLLOKOSA-N 1 0 417.893 3.913 20 5 HHBDRO COc1ccccc1[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000542683540 1013604154 /nfs/dbraw/zinc/60/41/54/1013604154.db2.gz RNJTXKLMMUYBFS-OAQYLSRUSA-N 1 0 418.515 3.898 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(-c3ccccc3)s2)cc1 ZINC000542692844 1013611069 /nfs/dbraw/zinc/61/10/69/1013611069.db2.gz PBZIOUVEKNBOGE-UHFFFAOYSA-N 1 0 402.497 3.887 20 5 HHBDRO C[C@H]1CCC[C@](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)([NH+](C)C)C1 ZINC000059891258 966040567 /nfs/dbraw/zinc/04/05/67/966040567.db2.gz DKKMYSKPZZZENJ-BVZFJXPGSA-N 1 0 405.542 3.781 20 5 HHBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000553802010 1013625506 /nfs/dbraw/zinc/62/55/06/1013625506.db2.gz WUDUPUCVCIHGOQ-UHFFFAOYSA-N 1 0 404.330 3.757 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000056064635 966199837 /nfs/dbraw/zinc/19/98/37/966199837.db2.gz ZBFHKAZEXFFPAG-KRWDZBQOSA-N 1 0 417.531 3.589 20 5 HHBDRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056159843 966239791 /nfs/dbraw/zinc/23/97/91/966239791.db2.gz WCOCZRZHMGXRIR-KBPBESRZSA-N 1 0 411.462 3.557 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2[N+](=O)[O-])n1 ZINC000060665929 966250407 /nfs/dbraw/zinc/25/04/07/966250407.db2.gz OIHLTHJPFHROMZ-UHFFFAOYSA-N 1 0 406.533 3.727 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1C ZINC000032441350 966253997 /nfs/dbraw/zinc/25/39/97/966253997.db2.gz VOJLZPPTVJMQNQ-UHFFFAOYSA-N 1 0 405.520 3.530 20 5 HHBDRO Cc1ccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1[N+](=O)[O-] ZINC000060682510 966256049 /nfs/dbraw/zinc/25/60/49/966256049.db2.gz XXIFVHNLRLDGRT-UHFFFAOYSA-N 1 0 424.501 3.534 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000056205929 966258015 /nfs/dbraw/zinc/25/80/15/966258015.db2.gz QASWZAXYXJVVDT-IFXJQAMLSA-N 1 0 403.866 3.944 20 5 HHBDRO O=C(NC1CC1)c1ccc(NCC2CC[NH+](Cc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000060864869 966313920 /nfs/dbraw/zinc/31/39/20/966313920.db2.gz BMOOQLVIUDDIJT-UHFFFAOYSA-N 1 0 414.531 3.873 20 5 HHBDRO CCOc1cc(C[NH2+]C2CC2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000061003411 966348268 /nfs/dbraw/zinc/34/82/68/966348268.db2.gz MHUOMFIFQPVMSL-UHFFFAOYSA-N 1 0 400.431 3.691 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000062046167 966605871 /nfs/dbraw/zinc/60/58/71/966605871.db2.gz CGRZEANQMSOPIF-QGZVFWFLSA-N 1 0 424.501 3.533 20 5 HHBDRO COc1ccc(NC(=O)CC[NH+]2CCC(OCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000041896478 966662268 /nfs/dbraw/zinc/66/22/68/966662268.db2.gz DCKKJTQMGJFZTA-UHFFFAOYSA-N 1 0 413.474 3.613 20 5 HHBDRO CSc1ccc(C(=O)c2ccccc2C(=O)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000042158991 966734135 /nfs/dbraw/zinc/73/41/35/966734135.db2.gz XNYCIUQQSYZQIO-UHFFFAOYSA-N 1 0 415.515 3.618 20 5 HHBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063392502 966840419 /nfs/dbraw/zinc/84/04/19/966840419.db2.gz VMNDMNAXDVDGJJ-UHFFFAOYSA-N 1 0 412.437 3.972 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000043111230 966908134 /nfs/dbraw/zinc/90/81/34/966908134.db2.gz JFMXGPJOXXHEDU-OAQYLSRUSA-N 1 0 412.490 3.582 20 5 HHBDRO COc1cc([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000538123892 1013685838 /nfs/dbraw/zinc/68/58/38/1013685838.db2.gz DIPXEHADEDKSHU-CQSZACIVSA-N 1 0 417.462 3.608 20 5 HHBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000063771242 966952595 /nfs/dbraw/zinc/95/25/95/966952595.db2.gz SPIIJGJKYJKUPH-UHFFFAOYSA-N 1 0 417.428 3.872 20 5 HHBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000538125814 1013688183 /nfs/dbraw/zinc/68/81/83/1013688183.db2.gz ZTFBSVMKZNRUGC-UHFFFAOYSA-N 1 0 416.481 3.835 20 5 HHBDRO Cc1ccc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1[N+](=O)[O-] ZINC000064280379 967120239 /nfs/dbraw/zinc/12/02/39/967120239.db2.gz VKVHEQYAYCNVBD-UHFFFAOYSA-N 1 0 424.501 3.534 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000064421351 967181785 /nfs/dbraw/zinc/18/17/85/967181785.db2.gz DUZUFMZKBQUJFK-MPGHIAIKSA-N 1 0 417.893 3.967 20 5 HHBDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OC(C)C ZINC000538153250 1013713688 /nfs/dbraw/zinc/71/36/88/1013713688.db2.gz RFLSRLJTANCUHB-OAHLLOKOSA-N 1 0 401.463 3.988 20 5 HHBDRO C[N@H+](CCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000064897652 967321785 /nfs/dbraw/zinc/32/17/85/967321785.db2.gz QLVHVPNMGLEEOW-UHFFFAOYSA-N 1 0 410.499 3.970 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000065102427 967376660 /nfs/dbraw/zinc/37/66/60/967376660.db2.gz ULKWOGIINMZYMG-GASCZTMLSA-N 1 0 402.520 3.816 20 5 HHBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000542873134 1013725303 /nfs/dbraw/zinc/72/53/03/1013725303.db2.gz PPRKZGUWJPBFAH-UHFFFAOYSA-N 1 0 411.449 3.924 20 5 HHBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000045790713 967553563 /nfs/dbraw/zinc/55/35/63/967553563.db2.gz IMUUNJZHEPVGIU-UHFFFAOYSA-N 1 0 405.882 3.899 20 5 HHBDRO O=C(C[NH2+][C@H](c1ccccc1F)C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000538225635 1013774475 /nfs/dbraw/zinc/77/44/75/1013774475.db2.gz ZAYLCNJDGYXVIM-NRFANRHFSA-N 1 0 415.421 3.922 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000047417090 968182760 /nfs/dbraw/zinc/18/27/60/968182760.db2.gz QLBJZPOWWSBUJK-OALUTQOASA-N 1 0 405.542 3.639 20 5 HHBDRO O=C(C[NH2+]C1(c2ccc(F)cc2F)CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000538233847 1013782291 /nfs/dbraw/zinc/78/22/91/1013782291.db2.gz XSXNZOZDQKVAGV-UHFFFAOYSA-N 1 0 401.413 3.821 20 5 HHBDRO COc1ccc([C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000071817778 968864619 /nfs/dbraw/zinc/86/46/19/968864619.db2.gz RTZLASGJKZGYFZ-JOCHJYFZSA-N 1 0 424.501 3.745 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000072025408 968939930 /nfs/dbraw/zinc/93/99/30/968939930.db2.gz ZHDMLXNYYCCBNB-UHFFFAOYSA-N 1 0 421.295 3.953 20 5 HHBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000072058225 968963824 /nfs/dbraw/zinc/96/38/24/968963824.db2.gz GWMCJXRGHWTWLH-UHFFFAOYSA-N 1 0 414.531 3.893 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000072069350 968970197 /nfs/dbraw/zinc/97/01/97/968970197.db2.gz BCECDZVEZQVCRN-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO CC[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000106020914 969281619 /nfs/dbraw/zinc/28/16/19/969281619.db2.gz TYHBTJGLBASLLA-HXUWFJFHSA-N 1 0 422.529 3.762 20 5 HHBDRO C[C@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000109477239 969522132 /nfs/dbraw/zinc/52/21/32/969522132.db2.gz IYQZJNQZJAXSRY-INIZCTEOSA-N 1 0 414.531 3.625 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000110118911 969626111 /nfs/dbraw/zinc/62/61/11/969626111.db2.gz GRIYUELUIFZQAZ-LJQANCHMSA-N 1 0 407.392 3.666 20 5 HHBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1cccc(F)c1 ZINC000111221549 969809200 /nfs/dbraw/zinc/80/92/00/969809200.db2.gz DYZJVFUZWPYTFA-HXUWFJFHSA-N 1 0 400.454 3.685 20 5 HHBDRO CC[NH+](CC)CCOc1cc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])ccc1OC ZINC000116552192 969904103 /nfs/dbraw/zinc/90/41/03/969904103.db2.gz VJOVTBWIRCVLFM-UHFFFAOYSA-N 1 0 405.426 3.715 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000138386377 969992129 /nfs/dbraw/zinc/99/21/29/969992129.db2.gz CFAWSLIYLPQDRE-HNNXBMFYSA-N 1 0 417.893 3.796 20 5 HHBDRO COCC[NH+]1CCC(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)CC1 ZINC000138544582 970001562 /nfs/dbraw/zinc/00/15/62/970001562.db2.gz UZUTUAMJCGRWEV-UHFFFAOYSA-N 1 0 409.552 3.574 20 5 HHBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000554407845 1013936666 /nfs/dbraw/zinc/93/66/66/1013936666.db2.gz YJLRRJMHYIHTAH-UHFFFAOYSA-N 1 0 412.393 3.775 20 5 HHBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000215801713 970054544 /nfs/dbraw/zinc/05/45/44/970054544.db2.gz AJFBCAYDVHHVKU-KRWDZBQOSA-N 1 0 410.499 3.621 20 5 HHBDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Br ZINC000216016790 970060597 /nfs/dbraw/zinc/06/05/97/970060597.db2.gz CVKQFWLTEAMFOK-GFCCVEGCSA-N 1 0 422.279 3.964 20 5 HHBDRO O=C1CCCN1CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236568166 970142182 /nfs/dbraw/zinc/14/21/82/970142182.db2.gz SKBNBQNFHFAATH-UHFFFAOYSA-N 1 0 422.279 3.719 20 5 HHBDRO CCC(CC)[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCOCC1 ZINC000236699347 970157564 /nfs/dbraw/zinc/15/75/64/970157564.db2.gz SZHHKASFEFPFRC-FQEVSTJZSA-N 1 0 418.563 3.945 20 5 HHBDRO C[C@@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000142829331 970170205 /nfs/dbraw/zinc/17/02/05/970170205.db2.gz HXEKLNCTJVRRJY-MRXNPFEDSA-N 1 0 414.531 3.625 20 5 HHBDRO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000236960354 970196319 /nfs/dbraw/zinc/19/63/19/970196319.db2.gz QARRHOZORMHQLI-HXUWFJFHSA-N 1 0 411.502 3.878 20 5 HHBDRO CNC(=O)c1cccc(CC[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c1 ZINC000237048987 970214268 /nfs/dbraw/zinc/21/42/68/970214268.db2.gz ACPLVMVZLUCTJK-UHFFFAOYSA-N 1 0 409.442 3.555 20 5 HHBDRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)ncn1 ZINC000237089996 970220185 /nfs/dbraw/zinc/22/01/85/970220185.db2.gz PESSBBDYBGSNFU-QGZVFWFLSA-N 1 0 424.530 3.829 20 5 HHBDRO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237114245 970224495 /nfs/dbraw/zinc/22/44/95/970224495.db2.gz ZLBODJLSIGANTJ-KRWDZBQOSA-N 1 0 421.501 3.620 20 5 HHBDRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000237234518 970246358 /nfs/dbraw/zinc/24/63/58/970246358.db2.gz VHTIAWPEFLEHJQ-UHFFFAOYSA-N 1 0 414.453 3.717 20 5 HHBDRO COc1cc(C[NH2+]Cc2ccc(C(N)=O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237309249 970259895 /nfs/dbraw/zinc/25/98/95/970259895.db2.gz KICIKDQDFMKBLW-UHFFFAOYSA-N 1 0 421.453 3.571 20 5 HHBDRO C[C@@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)CN1CCOCC1 ZINC000237407044 970279839 /nfs/dbraw/zinc/27/98/39/970279839.db2.gz WWJUGQOGFBSPAB-INIZCTEOSA-N 1 0 403.454 3.584 20 5 HHBDRO Cn1cc(C[NH2+]C[C@@H]2CCCN2Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237765826 970360436 /nfs/dbraw/zinc/36/04/36/970360436.db2.gz FWXLGIWYDWJCOG-QFIPXVFZSA-N 1 0 405.502 3.750 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCN(CC(F)(F)F)C3)cs2)c1 ZINC000237862681 970384877 /nfs/dbraw/zinc/38/48/77/970384877.db2.gz PXGUUXIRECOZFA-LBPRGKRZSA-N 1 0 400.426 3.692 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)s1 ZINC000237959550 970405522 /nfs/dbraw/zinc/40/55/22/970405522.db2.gz RMABMMKSPYJJJO-FQEVSTJZSA-N 1 0 419.572 3.621 20 5 HHBDRO O=C(NCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(O)c1 ZINC000237978687 970409154 /nfs/dbraw/zinc/40/91/54/970409154.db2.gz QBOMLBVBRIACEK-UHFFFAOYSA-N 1 0 411.483 3.939 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CCN(Cc4ccccn4)CC3)cs2)c1 ZINC000238005616 970416724 /nfs/dbraw/zinc/41/67/24/970416724.db2.gz QHAPGZCAERRFDI-UHFFFAOYSA-N 1 0 409.515 3.868 20 5 HHBDRO O=C1COc2ccccc2N1CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000238102225 970439840 /nfs/dbraw/zinc/43/98/40/970439840.db2.gz GAGGQTUPWGBCKL-UHFFFAOYSA-N 1 0 424.482 3.624 20 5 HHBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000251287547 970543650 /nfs/dbraw/zinc/54/36/50/970543650.db2.gz TXFGCZDMGXNKFU-QZTJIDSGSA-N 1 0 417.531 3.655 20 5 HHBDRO Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301058643 970726572 /nfs/dbraw/zinc/72/65/72/970726572.db2.gz AXFNYHNMVCSLHV-LJQANCHMSA-N 1 0 419.485 3.636 20 5 HHBDRO COc1ccccc1[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000301087600 970741931 /nfs/dbraw/zinc/74/19/31/970741931.db2.gz XRWIFFZMPXFWIQ-IBGZPJMESA-N 1 0 409.446 3.501 20 5 HHBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323684139 972714605 /nfs/dbraw/zinc/71/46/05/972714605.db2.gz ZQNIQRIKJPWSPM-UHFFFAOYSA-N 1 0 418.291 3.705 20 5 HHBDRO C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000406053245 972888622 /nfs/dbraw/zinc/88/86/22/972888622.db2.gz ITHWCHZRIYZNIF-IBGZPJMESA-N 1 0 418.291 3.752 20 5 HHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000409454286 972898505 /nfs/dbraw/zinc/89/85/05/972898505.db2.gz CNIIQKDRINMRTB-QFBILLFUSA-N 1 0 419.485 3.561 20 5 HHBDRO Cc1ccc(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000410370734 973966799 /nfs/dbraw/zinc/96/67/99/973966799.db2.gz YJHKNPSABHHIHG-CALCHBBNSA-N 1 0 412.490 3.834 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000425980864 974091234 /nfs/dbraw/zinc/09/12/34/974091234.db2.gz PGMXQKZNHHJAJE-MSOLQXFVSA-N 1 0 422.407 3.858 20 5 HHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(OCC(F)(F)F)c(F)c3)CC2)n1 ZINC000425993170 974105650 /nfs/dbraw/zinc/10/56/50/974105650.db2.gz JRAOHWXXTDOFJW-UHFFFAOYSA-N 1 0 402.348 3.709 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccc(F)c1 ZINC000426256877 974350387 /nfs/dbraw/zinc/35/03/87/974350387.db2.gz PTMRXHNGLDHLCQ-HXUWFJFHSA-N 1 0 400.454 3.711 20 5 HHBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000426272815 974361298 /nfs/dbraw/zinc/36/12/98/974361298.db2.gz AILILGAKEJAWRO-INIZCTEOSA-N 1 0 414.428 3.774 20 5 HHBDRO CC(C)[NH+](CCN(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC000426274672 974362923 /nfs/dbraw/zinc/36/29/23/974362923.db2.gz ASCWAUMHGJUXJE-UHFFFAOYSA-N 1 0 404.433 3.874 20 5 HHBDRO CC1(C)CCC[N@H+](CCNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000426279337 974366175 /nfs/dbraw/zinc/36/61/75/974366175.db2.gz YCEKWMPQMUUXKT-UHFFFAOYSA-N 1 0 402.417 3.535 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426388530 974427418 /nfs/dbraw/zinc/42/74/18/974427418.db2.gz HGPMHMZCLOIVRC-NRFANRHFSA-N 1 0 422.529 3.833 20 5 HHBDRO COCC[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000426516580 974501103 /nfs/dbraw/zinc/50/11/03/974501103.db2.gz NVNCRRPNCZUYFV-JOCHJYFZSA-N 1 0 422.485 3.685 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426897364 974738884 /nfs/dbraw/zinc/73/88/84/974738884.db2.gz OWXFPUUWKAFYGJ-HNNXBMFYSA-N 1 0 423.391 3.627 20 5 HHBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc2ccccc2c2cccnc12 ZINC000427100595 974904132 /nfs/dbraw/zinc/90/41/32/974904132.db2.gz LZGYKIQLQNPKIZ-DHIUTWEWSA-N 1 0 403.526 3.886 20 5 HHBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000427144871 974938666 /nfs/dbraw/zinc/93/86/66/974938666.db2.gz WHSGAVSGYKKVEX-LJQANCHMSA-N 1 0 411.502 3.882 20 5 HHBDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)C[C@@H](C)O1 ZINC000427319349 975049443 /nfs/dbraw/zinc/04/94/43/975049443.db2.gz FXEUKYVKNGSQCN-HZPDHXFCSA-N 1 0 415.490 3.693 20 5 HHBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000427452045 975126219 /nfs/dbraw/zinc/12/62/19/975126219.db2.gz YKDPDUQEUGFYHT-UHFFFAOYSA-N 1 0 400.401 3.813 20 5 HHBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000427824265 975309471 /nfs/dbraw/zinc/30/94/71/975309471.db2.gz DTKDHHIROTWMDC-DINDLPBHSA-N 1 0 409.895 3.929 20 5 HHBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1OCCc2sccc21 ZINC000427824271 975309554 /nfs/dbraw/zinc/30/95/54/975309554.db2.gz DTKDHHIROTWMDC-VGTOOOLASA-N 1 0 409.895 3.929 20 5 HHBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000428153162 975480521 /nfs/dbraw/zinc/48/05/21/975480521.db2.gz UKCMDZUOXZLWLP-BLLLJJGKSA-N 1 0 405.296 3.826 20 5 HHBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000428153175 975480587 /nfs/dbraw/zinc/48/05/87/975480587.db2.gz UKCMDZUOXZLWLP-WBMJQRKESA-N 1 0 405.296 3.826 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000428547195 975854406 /nfs/dbraw/zinc/85/44/06/975854406.db2.gz YFXZXAIRCQQYCO-OICCZTGUSA-N 1 0 405.292 3.811 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000429220283 976514208 /nfs/dbraw/zinc/51/42/08/976514208.db2.gz NGDIAXYFEBEXOZ-IAGOWNOFSA-N 1 0 404.511 3.646 20 5 HHBDRO CCOc1ccc([C@H](C)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000429431852 976710935 /nfs/dbraw/zinc/71/09/35/976710935.db2.gz WRSPPVATTOQJSJ-GHTZIAJQSA-N 1 0 413.518 3.935 20 5 HHBDRO CC(C)(C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429902442 977177972 /nfs/dbraw/zinc/17/79/72/977177972.db2.gz MKNSTHCGEJCRDF-UHFFFAOYSA-N 1 0 424.545 3.591 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000430424477 977536835 /nfs/dbraw/zinc/53/68/35/977536835.db2.gz IZJLLXHPFGPUFD-SJLPKXTDSA-N 1 0 411.506 3.719 20 5 HHBDRO CCOc1cc(C[N@H+]2CC(C)=C[C@@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000430869130 977832322 /nfs/dbraw/zinc/83/23/22/977832322.db2.gz PMCZBLSHXMKGPM-MRXNPFEDSA-N 1 0 414.506 3.975 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431023339 977961250 /nfs/dbraw/zinc/96/12/50/977961250.db2.gz LBZWSFBXSPZFNX-VNHYZAJKSA-N 1 0 410.312 3.835 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000431055442 977983997 /nfs/dbraw/zinc/98/39/97/977983997.db2.gz IDCBEKALTFEJCO-WBVHZDCISA-N 1 0 420.469 3.632 20 5 HHBDRO Cc1cc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n(C2CC[NH+](C)CC2)n1 ZINC000431134397 978040617 /nfs/dbraw/zinc/04/06/17/978040617.db2.gz CMRKSGASOYSRLR-UHFFFAOYSA-N 1 0 414.510 3.511 20 5 HHBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431173200 978073328 /nfs/dbraw/zinc/07/33/28/978073328.db2.gz OWTDEFKIKZCJIF-GOSISDBHSA-N 1 0 418.291 3.924 20 5 HHBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000431551526 978356849 /nfs/dbraw/zinc/35/68/49/978356849.db2.gz VWWUHDKVPFOGBN-UHFFFAOYSA-N 1 0 412.328 3.845 20 5 HHBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000431767563 978496862 /nfs/dbraw/zinc/49/68/62/978496862.db2.gz AMOFDXCJZOKLCN-UHFFFAOYSA-N 1 0 408.252 3.550 20 5 HHBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000431918355 978600255 /nfs/dbraw/zinc/60/02/55/978600255.db2.gz HJOAPHCEFMQDLJ-HOCLYGCPSA-N 1 0 423.922 3.580 20 5 HHBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000432341850 978768101 /nfs/dbraw/zinc/76/81/01/978768101.db2.gz ZUMDMCBATSDFBD-KRWDZBQOSA-N 1 0 415.925 3.682 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)SCC[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000433049556 979051913 /nfs/dbraw/zinc/05/19/13/979051913.db2.gz VURFULBCFIZTNE-HNNXBMFYSA-N 1 0 403.504 3.796 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000434781379 980395650 /nfs/dbraw/zinc/39/56/50/980395650.db2.gz FMGZGCQBFXMYFV-IEBWSBKVSA-N 1 0 424.284 3.739 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CC2(N3CCOCC3)CC2)cc1 ZINC000434785166 980397741 /nfs/dbraw/zinc/39/77/41/980397741.db2.gz NXMIBPXATWOARK-UHFFFAOYSA-N 1 0 417.893 3.995 20 5 HHBDRO COc1ccc(NC(=O)CC[NH+]2CCC(OCC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000434909699 980486211 /nfs/dbraw/zinc/48/62/11/980486211.db2.gz PKFRDQPABZRBIC-UHFFFAOYSA-N 1 0 405.495 3.603 20 5 HHBDRO O=C1C[C@]2(CC[N@@H+](Cc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)C2)CN1 ZINC000435062226 980606213 /nfs/dbraw/zinc/60/62/13/980606213.db2.gz YEORLVLPOPQDFN-HXUWFJFHSA-N 1 0 401.850 3.753 20 5 HHBDRO Cc1c(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435318790 980778859 /nfs/dbraw/zinc/77/88/59/980778859.db2.gz IVPTVTOAEDXGAE-AWEZNQCLSA-N 1 0 411.300 3.758 20 5 HHBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435322480 980781312 /nfs/dbraw/zinc/78/13/12/980781312.db2.gz DBYYKIXFXJBAAA-KGLIPLIRSA-N 1 0 411.300 3.756 20 5 HHBDRO Cc1c(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435323078 980781841 /nfs/dbraw/zinc/78/18/41/980781841.db2.gz JMMALBQXRASDGT-DOMZBBRYSA-N 1 0 411.300 3.614 20 5 HHBDRO Cc1c(NC(=O)N2CCCC23CC[NH+](C)CC3)cc(Br)cc1[N+](=O)[O-] ZINC000435330962 980789471 /nfs/dbraw/zinc/78/94/71/980789471.db2.gz XSDMDNVPLPCVIB-UHFFFAOYSA-N 1 0 411.300 3.758 20 5 HHBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000435330947 980789554 /nfs/dbraw/zinc/78/95/54/980789554.db2.gz XPDIHLWUUXNERM-IAQYHMDHSA-N 1 0 413.316 3.860 20 5 HHBDRO CC1CC[NH+](CCCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000435825080 981047373 /nfs/dbraw/zinc/04/73/73/981047373.db2.gz GELZTSUGLSFOCI-UHFFFAOYSA-N 1 0 413.468 3.811 20 5 HHBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000435938555 981103210 /nfs/dbraw/zinc/10/32/10/981103210.db2.gz RPXQCKHSULOOPD-UHFFFAOYSA-N 1 0 403.457 3.812 20 5 HHBDRO CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000435945641 981106708 /nfs/dbraw/zinc/10/67/08/981106708.db2.gz VWGCESANQLGHJZ-WIYYLYMNSA-N 1 0 410.518 3.999 20 5 HHBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Br)s1 ZINC000435998616 981142861 /nfs/dbraw/zinc/14/28/61/981142861.db2.gz WAQMIFSUXMRMCB-GWCFXTLKSA-N 1 0 410.293 3.875 20 5 HHBDRO C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C[NH+]1CCCCC1 ZINC000436071008 981188242 /nfs/dbraw/zinc/18/82/42/981188242.db2.gz BCNVTYZQAKIBBS-CQSZACIVSA-N 1 0 413.468 3.811 20 5 HHBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436417932 981357989 /nfs/dbraw/zinc/35/79/89/981357989.db2.gz GOOONCOKICLQNS-CQSZACIVSA-N 1 0 411.452 3.706 20 5 HHBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000437041229 981711664 /nfs/dbraw/zinc/71/16/64/981711664.db2.gz VLKGAODRFMYRIW-FQEVSTJZSA-N 1 0 422.529 3.789 20 5 HHBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000437054545 981725501 /nfs/dbraw/zinc/72/55/01/981725501.db2.gz DWNBGHGFRKIVIG-QGZVFWFLSA-N 1 0 401.894 3.771 20 5 HHBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000437188073 981843943 /nfs/dbraw/zinc/84/39/43/981843943.db2.gz ZEZCVCCRYYICGY-ZIFCJYIRSA-N 1 0 402.539 3.633 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437195649 981852968 /nfs/dbraw/zinc/85/29/68/981852968.db2.gz ASTPTGVGUQVWKP-UHFFFAOYSA-N 1 0 413.371 3.957 20 5 HHBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)CC1 ZINC000437484511 982112127 /nfs/dbraw/zinc/11/21/27/982112127.db2.gz VOANTWCZDSGFPH-UHFFFAOYSA-N 1 0 422.529 3.930 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4ccc(OC(F)F)cc4)CC3)nc2c1 ZINC000460344643 982115803 /nfs/dbraw/zinc/11/58/03/982115803.db2.gz CPVGDVQZHSCRRG-UHFFFAOYSA-N 1 0 417.416 3.785 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000460361083 982135924 /nfs/dbraw/zinc/13/59/24/982135924.db2.gz SKFTWSDHEZADBN-YPGOJHLTSA-N 1 0 421.501 3.891 20 5 HHBDRO CC[N@@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)CC1 ZINC000460425224 982213062 /nfs/dbraw/zinc/21/30/62/982213062.db2.gz HRFVFEFNHVEGTR-UHFFFAOYSA-N 1 0 420.517 3.628 20 5 HHBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000437589391 982214254 /nfs/dbraw/zinc/21/42/54/982214254.db2.gz LFBPPSLZZBXDDG-UHFFFAOYSA-N 1 0 413.478 3.698 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000437606911 982228841 /nfs/dbraw/zinc/22/88/41/982228841.db2.gz RICFXWULDDEEHP-LJQANCHMSA-N 1 0 423.473 3.656 20 5 HHBDRO CCCOc1cc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])cc1OCCC ZINC000437615532 982235543 /nfs/dbraw/zinc/23/55/43/982235543.db2.gz PMMRXSJOCKIKFG-MRXNPFEDSA-N 1 0 418.494 3.650 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[NH+](C)C)c1 ZINC000437697735 982303483 /nfs/dbraw/zinc/30/34/83/982303483.db2.gz HNFJHNGRNZNXAY-OAQYLSRUSA-N 1 0 412.490 3.580 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437865289 982420484 /nfs/dbraw/zinc/42/04/84/982420484.db2.gz JVVCXDFGSXBLJG-SFHVURJKSA-N 1 0 421.563 3.860 20 5 HHBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437921091 982463970 /nfs/dbraw/zinc/46/39/70/982463970.db2.gz SSCJBIRKBVSESG-UHFFFAOYSA-N 1 0 408.502 3.717 20 5 HHBDRO CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460737476 982494966 /nfs/dbraw/zinc/49/49/66/982494966.db2.gz PQGRRDYNUDVKHK-UHFFFAOYSA-N 1 0 412.538 3.964 20 5 HHBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)C[C@H]1C ZINC000460739097 982497425 /nfs/dbraw/zinc/49/74/25/982497425.db2.gz WRBXUFWXGPBKED-AEFFLSMTSA-N 1 0 400.527 3.818 20 5 HHBDRO CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccs1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000461015082 982724129 /nfs/dbraw/zinc/72/41/29/982724129.db2.gz MCZVVEUHTJQAMA-SFHVURJKSA-N 1 0 424.530 3.636 20 5 HHBDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000461082625 982778676 /nfs/dbraw/zinc/77/86/76/982778676.db2.gz ITHGXAWNPRAUCD-HXUWFJFHSA-N 1 0 403.504 3.766 20 5 HHBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461421704 983085257 /nfs/dbraw/zinc/08/52/57/983085257.db2.gz BVNPIWHLBAYFLE-OALUTQOASA-N 1 0 411.527 3.667 20 5 HHBDRO COc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000461438106 983101945 /nfs/dbraw/zinc/10/19/45/983101945.db2.gz KGTRXZDUXLZWCI-UYAOXDASSA-N 1 0 409.486 3.506 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461457341 983123333 /nfs/dbraw/zinc/12/33/33/983123333.db2.gz QCCJODVLJOIUDP-SFTDATJTSA-N 1 0 418.497 3.530 20 5 HHBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCN(c2ccccc2)CC1 ZINC000438993435 983199928 /nfs/dbraw/zinc/19/99/28/983199928.db2.gz KGWNVRKHDIZQOO-UHFFFAOYSA-N 1 0 402.882 3.788 20 5 HHBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000439043606 983225049 /nfs/dbraw/zinc/22/50/49/983225049.db2.gz NSIMBGOEVBHYMG-UHFFFAOYSA-N 1 0 416.909 3.880 20 5 HHBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000439078492 983240404 /nfs/dbraw/zinc/24/04/04/983240404.db2.gz LMBUPMLEULHMJU-UHFFFAOYSA-N 1 0 409.490 3.776 20 5 HHBDRO COc1cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000439267741 983338905 /nfs/dbraw/zinc/33/89/05/983338905.db2.gz AICUIXICSJBRNZ-INIZCTEOSA-N 1 0 400.422 3.638 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N(CC[NH+](C)C)C(C)C)cc2[N+](=O)[O-])n1 ZINC000439631724 983477846 /nfs/dbraw/zinc/47/78/46/983477846.db2.gz BTTBCLYYULNMHZ-UHFFFAOYSA-N 1 0 408.549 3.923 20 5 HHBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000440537365 983787862 /nfs/dbraw/zinc/78/78/62/983787862.db2.gz JQADYEQIYYYXTC-HXUWFJFHSA-N 1 0 411.502 3.734 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000440540858 983789315 /nfs/dbraw/zinc/78/93/15/983789315.db2.gz PICWEAJDMZNVAN-VVBPWWLESA-N 1 0 417.506 3.602 20 5 HHBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000440545448 983791291 /nfs/dbraw/zinc/79/12/91/983791291.db2.gz VAONSHIMLLUXNM-UHFFFAOYSA-N 1 0 418.881 3.651 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc2[N+](=O)[O-])n1 ZINC000440912692 983968813 /nfs/dbraw/zinc/96/88/13/983968813.db2.gz JIHWBBCGEKBDCU-TZMCWYRMSA-N 1 0 418.544 3.866 20 5 HHBDRO C[C@@H](O)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441242766 984134375 /nfs/dbraw/zinc/13/43/75/984134375.db2.gz VJLVEPILZYOHMC-JKSUJKDBSA-N 1 0 419.909 3.525 20 5 HHBDRO C[C@@H](O)C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441269266 984149579 /nfs/dbraw/zinc/14/95/79/984149579.db2.gz LYOUHOFWCUSDEH-LSDHHAIUSA-N 1 0 420.893 3.929 20 5 HHBDRO Cc1cc(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461934754 984940929 /nfs/dbraw/zinc/94/09/29/984940929.db2.gz LGRIMOQMDIYXQY-AWEZNQCLSA-N 1 0 400.445 3.527 20 5 HHBDRO Cc1cc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461938845 984942163 /nfs/dbraw/zinc/94/21/63/984942163.db2.gz DPQMKHQLWVFPOE-UHFFFAOYSA-N 1 0 414.472 3.917 20 5 HHBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442739414 985196302 /nfs/dbraw/zinc/19/63/02/985196302.db2.gz JWZMVFKHRMNWCV-INIZCTEOSA-N 1 0 415.515 3.587 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000462425827 985397362 /nfs/dbraw/zinc/39/73/62/985397362.db2.gz CXXXAFNVIHUGHR-NRFANRHFSA-N 1 0 409.530 3.987 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])s2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000443514972 985685720 /nfs/dbraw/zinc/68/57/20/985685720.db2.gz AHADZBJLDFNBGY-SWLSCSKDSA-N 1 0 400.426 4.565 20 5 HHBDRO O=C(CN1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000443589403 985765638 /nfs/dbraw/zinc/76/56/38/985765638.db2.gz DORTWIBQKCCCGP-UHFFFAOYSA-N 1 0 408.930 3.775 20 5 HHBDRO CCOC(=O)c1ccnc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000462869882 985794854 /nfs/dbraw/zinc/79/48/54/985794854.db2.gz IUNMTIDYEGZPIH-CJNGLKHVSA-N 1 0 404.492 3.723 20 5 HHBDRO Cn1cc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462913535 985845262 /nfs/dbraw/zinc/84/52/62/985845262.db2.gz UHTHWHDZDYQWRR-MRXNPFEDSA-N 1 0 409.465 3.751 20 5 HHBDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000443747944 985963020 /nfs/dbraw/zinc/96/30/20/985963020.db2.gz OCVLTGRYSFASHM-UHFFFAOYSA-N 1 0 415.943 3.570 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000443813221 986009298 /nfs/dbraw/zinc/00/92/98/986009298.db2.gz RVMPXMJXJICOPG-UHFFFAOYSA-N 1 0 411.380 3.943 20 5 HHBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000468471932 986165681 /nfs/dbraw/zinc/16/56/81/986165681.db2.gz YUSWYIADRSXWOY-JZLODUJNSA-N 1 0 404.264 3.529 20 5 HHBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000443999290 986197868 /nfs/dbraw/zinc/19/78/68/986197868.db2.gz AEWLWIUVUWNOGJ-KBPBESRZSA-N 1 0 413.468 3.952 20 5 HHBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444023095 986215571 /nfs/dbraw/zinc/21/55/71/986215571.db2.gz NBVVIPVYLMJANY-HNNXBMFYSA-N 1 0 413.468 3.954 20 5 HHBDRO C[NH+](C)CCC1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000444037519 986235108 /nfs/dbraw/zinc/23/51/08/986235108.db2.gz FWLSIFQASKGXTE-UHFFFAOYSA-N 1 0 413.468 3.763 20 5 HHBDRO COC1CCC([N@H+](C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000444153499 986335763 /nfs/dbraw/zinc/33/57/63/986335763.db2.gz ROQRFOWHNPMJBP-UHFFFAOYSA-N 1 0 404.492 3.546 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000468642490 986357424 /nfs/dbraw/zinc/35/74/24/986357424.db2.gz RVYMRBSHXMFXKY-AAKHDSTQSA-N 1 0 409.486 3.697 20 5 HHBDRO COc1ccc(NC(=O)C[N@H+](C[C@@H]2CCCO2)C2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000444189805 986367961 /nfs/dbraw/zinc/36/79/61/986367961.db2.gz GLUWJGKUOBHGOB-HTWSVDAQSA-N 1 0 405.495 3.602 20 5 HHBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444644824 986829602 /nfs/dbraw/zinc/82/96/02/986829602.db2.gz YHCXLPMYFHAAST-BLLLJJGKSA-N 1 0 418.519 3.981 20 5 HHBDRO COc1cc(CN2CC[C@@H]([NH2+]C/C(C)=C\c3cccc([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000469125480 986844556 /nfs/dbraw/zinc/84/45/56/986844556.db2.gz WSBPOZZSOPGVEX-JFQUDDBISA-N 1 0 411.502 3.879 20 5 HHBDRO Cc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1NC(=O)CC[NH+](C)C ZINC000469137780 986857892 /nfs/dbraw/zinc/85/78/92/986857892.db2.gz YAELTWDEKVACPC-UHFFFAOYSA-N 1 0 409.446 3.527 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000444746426 986911147 /nfs/dbraw/zinc/91/11/47/986911147.db2.gz VLDLPUZBQHNVLT-NSHDSACASA-N 1 0 408.252 3.655 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[NH+]1CCCC1 ZINC000444920350 987068453 /nfs/dbraw/zinc/06/84/53/987068453.db2.gz KAEOBNMCLAURAV-SFHVURJKSA-N 1 0 414.462 3.571 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469455458 987141205 /nfs/dbraw/zinc/14/12/05/987141205.db2.gz VOYJBODXTZOQRG-CYBMUJFWSA-N 1 0 403.385 3.661 20 5 HHBDRO COc1cc(CNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000469769378 987421314 /nfs/dbraw/zinc/42/13/14/987421314.db2.gz PCHBRBHXYLOEIW-HZPDHXFCSA-N 1 0 401.482 3.989 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469771212 987422892 /nfs/dbraw/zinc/42/28/92/987422892.db2.gz YMHMKPRNTCRYTM-QZTJIDSGSA-N 1 0 410.518 3.588 20 5 HHBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469922970 987551336 /nfs/dbraw/zinc/55/13/36/987551336.db2.gz IAMUURPWQGAPLL-KRWDZBQOSA-N 1 0 403.504 3.527 20 5 HHBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000445798575 987859915 /nfs/dbraw/zinc/85/99/15/987859915.db2.gz IOLSZFSZRYIANT-UHFFFAOYSA-N 1 0 424.501 3.981 20 5 HHBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445800987 987861312 /nfs/dbraw/zinc/86/13/12/987861312.db2.gz CHZSMRCWOCDNSC-UHFFFAOYSA-N 1 0 412.328 3.623 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445838966 987909488 /nfs/dbraw/zinc/90/94/88/987909488.db2.gz DMSMCXSFBZOLCY-AWEZNQCLSA-N 1 0 412.328 3.671 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2[N+](=O)[O-])C1 ZINC000463934318 988043474 /nfs/dbraw/zinc/04/34/74/988043474.db2.gz YRHZBXUACMQUHY-BPIHKTFHSA-N 1 0 400.523 3.576 20 5 HHBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)[C@H]1C ZINC000470156131 988066750 /nfs/dbraw/zinc/06/67/50/988066750.db2.gz JKYHWYNIXGUOBC-KXBFYZLASA-N 1 0 414.458 3.566 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000463963380 988076006 /nfs/dbraw/zinc/07/60/06/988076006.db2.gz GZPSBNIOZHQQOG-HDICACEKSA-N 1 0 418.538 3.955 20 5 HHBDRO CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470666174 988687169 /nfs/dbraw/zinc/68/71/69/988687169.db2.gz FHIFHBIINVYWIF-QFIPXVFZSA-N 1 0 419.485 3.517 20 5 HHBDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000464735101 988955598 /nfs/dbraw/zinc/95/55/98/988955598.db2.gz MJZSGIBOKGLTPL-CQSZACIVSA-N 1 0 417.428 3.616 20 5 HHBDRO C[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000464836560 989079347 /nfs/dbraw/zinc/07/93/47/989079347.db2.gz KMKJEHGJPOJCPM-QGZVFWFLSA-N 1 0 407.474 3.741 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)c1 ZINC000471236931 989383297 /nfs/dbraw/zinc/38/32/97/989383297.db2.gz YOLAKODJEJVMRZ-UHFFFAOYSA-N 1 0 412.490 3.634 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471386047 989565242 /nfs/dbraw/zinc/56/52/42/989565242.db2.gz QQOIXXYVLOYREJ-HDICACEKSA-N 1 0 411.527 3.911 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471389407 989568070 /nfs/dbraw/zinc/56/80/70/989568070.db2.gz JAGKLCNNYXLMON-FDFHNCONSA-N 1 0 407.514 3.754 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000465233565 989583532 /nfs/dbraw/zinc/58/35/32/989583532.db2.gz JTGCFHIEXNYIHD-WBVHZDCISA-N 1 0 411.458 3.704 20 5 HHBDRO COc1ccc(CSCC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000471554810 989755049 /nfs/dbraw/zinc/75/50/49/989755049.db2.gz JJHPYHVJHOHJOS-VFNWGFHPSA-N 1 0 417.531 3.644 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000471633991 989841226 /nfs/dbraw/zinc/84/12/26/989841226.db2.gz LZMRMAPCXZVXHG-LJQANCHMSA-N 1 0 410.518 3.944 20 5 HHBDRO CCc1ccc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000471916009 990083775 /nfs/dbraw/zinc/08/37/75/990083775.db2.gz WDKURIZVBPVXJH-HNNXBMFYSA-N 1 0 414.481 3.539 20 5 HHBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000465745007 990130301 /nfs/dbraw/zinc/13/03/01/990130301.db2.gz DLXSGLHCQJVAAZ-KRWDZBQOSA-N 1 0 418.538 3.658 20 5 HHBDRO CCc1ccc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000472015539 990184185 /nfs/dbraw/zinc/18/41/85/990184185.db2.gz FLBNOZKPVOJBBT-LJQANCHMSA-N 1 0 409.486 3.875 20 5 HHBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000466073006 991245682 /nfs/dbraw/zinc/24/56/82/991245682.db2.gz CBVOLIHRUNGOPJ-HNAYVOBHSA-N 1 0 402.520 3.881 20 5 HHBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000466156646 991344466 /nfs/dbraw/zinc/34/44/66/991344466.db2.gz FDOXESNCUJQATD-FQEVSTJZSA-N 1 0 410.518 3.691 20 5 HHBDRO Cc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1NC(=O)CC[NH+](C)C ZINC000466248803 991485679 /nfs/dbraw/zinc/48/56/79/991485679.db2.gz LBCRMNVXFKYXIW-CQSZACIVSA-N 1 0 416.453 3.675 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000466392489 991682491 /nfs/dbraw/zinc/68/24/91/991682491.db2.gz QUHQVGKNRVYXFC-NTCAYCPXSA-N 1 0 423.922 3.610 20 5 HHBDRO Cc1sc(S(=O)(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000467056262 992366286 /nfs/dbraw/zinc/36/62/86/992366286.db2.gz ARVUPBHPXMOHAI-CQSZACIVSA-N 1 0 415.581 3.630 20 5 HHBDRO Cc1c(Br)cc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000467066566 992373319 /nfs/dbraw/zinc/37/33/19/992373319.db2.gz WQWAKJFRGYHTLC-UHFFFAOYSA-N 1 0 420.307 3.700 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467215296 992539906 /nfs/dbraw/zinc/53/99/06/992539906.db2.gz GWPVDRSVQZGJRU-KUHUBIRLSA-N 1 0 402.882 3.568 20 5 HHBDRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467258656 992581228 /nfs/dbraw/zinc/58/12/28/992581228.db2.gz JZTPBAJSQGDUHP-UHFFFAOYSA-N 1 0 417.578 3.559 20 5 HHBDRO CCOc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c([N+](=O)[O-])cc1OCC ZINC000467591443 992865124 /nfs/dbraw/zinc/86/51/24/992865124.db2.gz SZLFNQDUBUKKHV-CVEARBPZSA-N 1 0 420.510 3.871 20 5 HHBDRO CCCOc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1OCCC ZINC000467594627 992867843 /nfs/dbraw/zinc/86/78/43/992867843.db2.gz HNZJPHDNKJVPOD-CVEARBPZSA-N 1 0 420.510 3.873 20 5 HHBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)CCC[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000467666120 992925063 /nfs/dbraw/zinc/92/50/63/992925063.db2.gz LVQKCWSJSBWUFN-QZTJIDSGSA-N 1 0 402.539 3.635 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[N@@H+]1Cc1ccccc1 ZINC000467691104 992946495 /nfs/dbraw/zinc/94/64/95/992946495.db2.gz LXGKCMPGTWJEAG-RXVVDRJESA-N 1 0 422.529 3.590 20 5 HHBDRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000467845199 993077605 /nfs/dbraw/zinc/07/76/05/993077605.db2.gz ZKABEJGHUQIYFP-INIZCTEOSA-N 1 0 417.531 3.708 20 5 HHBDRO COc1ccc2c(c1)[C@@H]([N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1)CCO2 ZINC000472234857 993263422 /nfs/dbraw/zinc/26/34/22/993263422.db2.gz UALMJFAOGQLRHT-NRFANRHFSA-N 1 0 408.458 3.826 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000472285135 993302312 /nfs/dbraw/zinc/30/23/12/993302312.db2.gz WTJHOAQVVCRAEH-HXUWFJFHSA-N 1 0 424.501 3.516 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000472305827 993318426 /nfs/dbraw/zinc/31/84/26/993318426.db2.gz MXPMWBQWMYSNGA-LJQANCHMSA-N 1 0 408.502 3.791 20 5 HHBDRO CC[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](CC)CN1C(C)=O ZINC000472330164 993339305 /nfs/dbraw/zinc/33/93/05/993339305.db2.gz UBWVZQCMJIATMM-QZTJIDSGSA-N 1 0 400.479 3.514 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000472446678 993449389 /nfs/dbraw/zinc/44/93/89/993449389.db2.gz ARRXYLIOHFQWDW-FQEVSTJZSA-N 1 0 410.518 3.828 20 5 HHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2(N3CCSCC3)CCCCC2)n1 ZINC000472628903 993570340 /nfs/dbraw/zinc/57/03/40/993570340.db2.gz JYPVYGQLWZVCLZ-MSOLQXFVSA-N 1 0 407.584 3.616 20 5 HHBDRO CCC[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000480714298 993584087 /nfs/dbraw/zinc/58/40/87/993584087.db2.gz YIVTXRSAHUKZQE-IBGZPJMESA-N 1 0 421.494 3.905 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000480746047 993612786 /nfs/dbraw/zinc/61/27/86/993612786.db2.gz XQAIIVAYINLDPB-UHFFFAOYSA-N 1 0 421.563 3.671 20 5 HHBDRO CCOC(=O)C1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000473065175 993985990 /nfs/dbraw/zinc/98/59/90/993985990.db2.gz GDAAYEOHOLFSGQ-UHFFFAOYSA-N 1 0 420.469 3.880 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481190871 994023275 /nfs/dbraw/zinc/02/32/75/994023275.db2.gz PNVGGRCTIHZRIE-YJBOKZPZSA-N 1 0 416.909 3.687 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000481379482 994210893 /nfs/dbraw/zinc/21/08/93/994210893.db2.gz ZTZNYQMOFBYUKV-QGZVFWFLSA-N 1 0 417.531 3.716 20 5 HHBDRO CC(C)C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCc2cccnc21 ZINC000481430500 994265939 /nfs/dbraw/zinc/26/59/39/994265939.db2.gz AAYWILBVHMSIQG-NRFANRHFSA-N 1 0 408.502 3.915 20 5 HHBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000481492116 994325089 /nfs/dbraw/zinc/32/50/89/994325089.db2.gz GVPPWVNVNWOENA-BFUOFWGJSA-N 1 0 419.865 3.912 20 5 HHBDRO COc1ccc(C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)cc1[N+](=O)[O-] ZINC000481625506 994489391 /nfs/dbraw/zinc/48/93/91/994489391.db2.gz DIODUUVVMOOWON-UHFFFAOYSA-N 1 0 412.490 3.695 20 5 HHBDRO C[NH+](C)CCOc1cccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000481653981 994516987 /nfs/dbraw/zinc/51/69/87/994516987.db2.gz HAYJNXGFPQEWQD-UHFFFAOYSA-N 1 0 406.870 3.553 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000481770184 994621236 /nfs/dbraw/zinc/62/12/36/994621236.db2.gz MRUWNGOMNCGAPR-HNNXBMFYSA-N 1 0 407.474 3.633 20 5 HHBDRO C[N@@H+]1CCC[C@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])CC[C@H]21 ZINC000481984971 994882544 /nfs/dbraw/zinc/88/25/44/994882544.db2.gz OLZIEVFSCPRUOT-BLLLJJGKSA-N 1 0 405.296 3.826 20 5 HHBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000473943222 994918549 /nfs/dbraw/zinc/91/85/49/994918549.db2.gz XAXLFVNLEYXDTE-UHFFFAOYSA-N 1 0 412.339 3.644 20 5 HHBDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC[N@@H+]2C2CC2)c1 ZINC000482042755 994964449 /nfs/dbraw/zinc/96/44/49/994964449.db2.gz CUZYBKSPMJPQPB-PGRDOPGGSA-N 1 0 420.469 3.793 20 5 HHBDRO COC(=O)COc1ccc(CNc2cc(C[NH+]3CCCC3)ccc2C)cc1[N+](=O)[O-] ZINC000473988124 994975533 /nfs/dbraw/zinc/97/55/33/994975533.db2.gz KANZNZUDMNDAQC-UHFFFAOYSA-N 1 0 413.474 3.663 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000482054148 994982055 /nfs/dbraw/zinc/98/20/55/994982055.db2.gz OYSALRVHXTULMS-MJGOQNOKSA-N 1 0 419.485 3.563 20 5 HHBDRO COc1cccc([C@H]2[C@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000482099759 995045002 /nfs/dbraw/zinc/04/50/02/995045002.db2.gz HMINOACFTRHYCJ-UXHICEINSA-N 1 0 415.877 3.965 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]CC2(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000474349314 995328924 /nfs/dbraw/zinc/32/89/24/995328924.db2.gz WGXCBBXNCHTGOF-UHFFFAOYSA-N 1 0 404.850 3.621 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000474356895 995336833 /nfs/dbraw/zinc/33/68/33/995336833.db2.gz OQBDLDYEFRUGRP-KBPBESRZSA-N 1 0 404.385 3.605 20 5 HHBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cc(C[NH+](C)C)ccn3)cc2[N+](=O)[O-])C1 ZINC000482361139 995342599 /nfs/dbraw/zinc/34/25/99/995342599.db2.gz GDFLHCPTXZWLPF-HOTGVXAUSA-N 1 0 411.506 3.786 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000474363624 995344044 /nfs/dbraw/zinc/34/40/44/995344044.db2.gz VYGGVWQRYALBTB-INIZCTEOSA-N 1 0 413.474 3.598 20 5 HHBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)CC1 ZINC000475198982 995992155 /nfs/dbraw/zinc/99/21/55/995992155.db2.gz YQGICGZLLDTXHO-CYBMUJFWSA-N 1 0 400.401 3.809 20 5 HHBDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000475219429 996004359 /nfs/dbraw/zinc/00/43/59/996004359.db2.gz JNQJJCFKGWDPNO-UHFFFAOYSA-N 1 0 418.416 3.625 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@](C)(O)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475339410 996078259 /nfs/dbraw/zinc/07/82/59/996078259.db2.gz VAIIQIYGAGMURK-QFIPXVFZSA-N 1 0 400.475 3.919 20 5 HHBDRO COc1cc(C[NH2+]C[C@](C)(O)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000483428770 996173119 /nfs/dbraw/zinc/17/31/19/996173119.db2.gz OMZXYFMCYJMYFB-IBGZPJMESA-N 1 0 402.438 3.668 20 5 HHBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)c1ccco1 ZINC000483548327 996244061 /nfs/dbraw/zinc/24/40/61/996244061.db2.gz KQRGEDAOWVNYHW-WBMJQRKESA-N 1 0 418.450 3.534 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000483623236 996292211 /nfs/dbraw/zinc/29/22/11/996292211.db2.gz JWXMAXZJFTVLIZ-OAHLLOKOSA-N 1 0 424.448 3.672 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000475720731 996322934 /nfs/dbraw/zinc/32/29/34/996322934.db2.gz AWFOAFMRGGZUSA-KBXCAEBGSA-N 1 0 402.422 3.869 20 5 HHBDRO Cc1c(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cccc1[N+](=O)[O-] ZINC000483728064 996353270 /nfs/dbraw/zinc/35/32/70/996353270.db2.gz HIHHWFOUMMXYFO-UHFFFAOYSA-N 1 0 414.531 3.816 20 5 HHBDRO CS[C@@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000476058825 996572474 /nfs/dbraw/zinc/57/24/74/996572474.db2.gz FINALXPXBZQDMG-LEWJYISDSA-N 1 0 411.527 3.842 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000484291257 996682828 /nfs/dbraw/zinc/68/28/28/996682828.db2.gz MOELQPBUKADJDF-KRWDZBQOSA-N 1 0 407.474 3.541 20 5 HHBDRO CC1(C)C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@@H]1C(F)(F)F ZINC000484362783 996730628 /nfs/dbraw/zinc/73/06/28/996730628.db2.gz UGPWLESJQVRFCG-HNNXBMFYSA-N 1 0 401.385 3.803 20 5 HHBDRO Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000484634922 996970366 /nfs/dbraw/zinc/97/03/66/996970366.db2.gz HQCBDPTVMQYXHJ-FPOVZHCZSA-N 1 0 418.515 3.657 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1SC ZINC000484848822 997212967 /nfs/dbraw/zinc/21/29/67/997212967.db2.gz PTITXWKDZUICOJ-MRXNPFEDSA-N 1 0 415.515 3.720 20 5 HHBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000484871095 997235670 /nfs/dbraw/zinc/23/56/70/997235670.db2.gz BLEKSSWEAAZQJM-SWLSCSKDSA-N 1 0 400.353 3.584 20 5 HHBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(OC(F)(F)F)cc1 ZINC000484892739 997259531 /nfs/dbraw/zinc/25/95/31/997259531.db2.gz KOWJYISIPQQJKB-LBPRGKRZSA-N 1 0 409.364 3.733 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000484936016 997313016 /nfs/dbraw/zinc/31/30/16/997313016.db2.gz HUAPQTPOCCCGDE-RBUKOAKNSA-N 1 0 413.905 3.771 20 5 HHBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000485202644 997578212 /nfs/dbraw/zinc/57/82/12/997578212.db2.gz ADNZSQQTSSICPG-GFCCVEGCSA-N 1 0 422.279 3.564 20 5 HHBDRO C[NH+](C)CCCOc1ccc(CNc2ncc([N+](=O)[O-])cc2Br)cc1 ZINC000485207671 997581893 /nfs/dbraw/zinc/58/18/93/997581893.db2.gz OXRDKFYPAXHDCX-UHFFFAOYSA-N 1 0 409.284 3.695 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000477103884 997756974 /nfs/dbraw/zinc/75/69/74/997756974.db2.gz VEWXFTUAJFIFEY-QGZVFWFLSA-N 1 0 409.552 3.568 20 5 HHBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000477104803 997758105 /nfs/dbraw/zinc/75/81/05/997758105.db2.gz ZYTHKTTVAZKBDV-MRXNPFEDSA-N 1 0 409.552 3.568 20 5 HHBDRO C[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)cn2)CC1 ZINC000485388568 997816339 /nfs/dbraw/zinc/81/63/39/997816339.db2.gz IYACXGBXTIHRGN-UHFFFAOYSA-N 1 0 422.464 3.555 20 5 HHBDRO COc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)c1 ZINC000485408106 997840166 /nfs/dbraw/zinc/84/01/66/997840166.db2.gz DJPMZJILAABMCR-UHFFFAOYSA-N 1 0 409.421 3.526 20 5 HHBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)nc1-c1ccc(F)cc1 ZINC000485408082 997840402 /nfs/dbraw/zinc/84/04/02/997840402.db2.gz NXKCZNCZEZWTHV-FQEVSTJZSA-N 1 0 422.460 3.975 20 5 HHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)nc1-c1ccc(F)cc1 ZINC000485419319 997854411 /nfs/dbraw/zinc/85/44/11/997854411.db2.gz XYEJWAXDTJWHSJ-AZUAARDMSA-N 1 0 414.481 3.976 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000477330909 998019165 /nfs/dbraw/zinc/01/91/65/998019165.db2.gz NLOKXPJCZGJLME-LJQANCHMSA-N 1 0 405.857 3.883 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])c1 ZINC000485831267 998297604 /nfs/dbraw/zinc/29/76/04/998297604.db2.gz GNFTXXAAUSIDPM-VXGBXAGGSA-N 1 0 400.460 3.891 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000485843233 998307954 /nfs/dbraw/zinc/30/79/54/998307954.db2.gz JRXMIUPAAXULNM-IYBDPMFKSA-N 1 0 421.563 3.668 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccc(CNc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)C[C@H](C)O1 ZINC000486156752 998606108 /nfs/dbraw/zinc/60/61/08/998606108.db2.gz LMGNXDKPMPCVKA-HOTGVXAUSA-N 1 0 423.473 3.866 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000477933635 998666394 /nfs/dbraw/zinc/66/63/94/998666394.db2.gz TWFGBWTXLIEUSR-ZWKOTPCHSA-N 1 0 417.506 3.995 20 5 HHBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000477961091 998683195 /nfs/dbraw/zinc/68/31/95/998683195.db2.gz DXEVMJUBYJGYPE-UHFFFAOYSA-N 1 0 411.452 3.706 20 5 HHBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478037922 998728154 /nfs/dbraw/zinc/72/81/54/998728154.db2.gz BMKJHNLXCPZVBB-ROUUACIJSA-N 1 0 402.539 3.898 20 5 HHBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000486393267 998744380 /nfs/dbraw/zinc/74/43/80/998744380.db2.gz JISSWWYXEAVAJR-SWLSCSKDSA-N 1 0 421.856 3.994 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000486423654 998760176 /nfs/dbraw/zinc/76/01/76/998760176.db2.gz SHBGTGJZZWGVBC-IBGZPJMESA-N 1 0 417.531 3.674 20 5 HHBDRO COc1ccc([C@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[NH+]2CCCC2)cc1 ZINC000486427245 998761945 /nfs/dbraw/zinc/76/19/45/998761945.db2.gz AZWMIWBLNRYKRC-IBGZPJMESA-N 1 0 409.446 3.902 20 5 HHBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000478297486 998872065 /nfs/dbraw/zinc/87/20/65/998872065.db2.gz OPHJBEYBPDTRAB-DLBZAZTESA-N 1 0 411.506 3.577 20 5 HHBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)nc2)CC1 ZINC000478314744 998882301 /nfs/dbraw/zinc/88/23/01/998882301.db2.gz NMGKDILILAPTBC-UHFFFAOYSA-N 1 0 409.446 3.519 20 5 HHBDRO CCOc1cc(NC(=O)NCC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1OCC ZINC000478404867 998940199 /nfs/dbraw/zinc/94/01/99/998940199.db2.gz PDMAIFHHNAXHDA-UHFFFAOYSA-N 1 0 408.499 3.636 20 5 HHBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@H]1[NH+](C)C ZINC000478448011 998964408 /nfs/dbraw/zinc/96/44/08/998964408.db2.gz IPCOGNYGDZUCPB-MJGOQNOKSA-N 1 0 401.488 3.505 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)cc2)C1 ZINC000478450311 998965988 /nfs/dbraw/zinc/96/59/88/998965988.db2.gz NGALMPUFNSELTG-OAHLLOKOSA-N 1 0 407.474 3.633 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000487039507 999045045 /nfs/dbraw/zinc/04/50/45/999045045.db2.gz JCKDNBVKPYXJFQ-MJGOQNOKSA-N 1 0 413.543 3.756 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000478629761 999054521 /nfs/dbraw/zinc/05/45/21/999054521.db2.gz DIUAWAWCVLFXEZ-SFHVURJKSA-N 1 0 403.523 3.867 20 5 HHBDRO COc1cc(C(=O)Nc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000478675445 999082971 /nfs/dbraw/zinc/08/29/71/999082971.db2.gz IPIVETHLNPRDSJ-HUUCEWRRSA-N 1 0 413.474 3.773 20 5 HHBDRO CSc1ccc(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000487354032 999144982 /nfs/dbraw/zinc/14/49/82/999144982.db2.gz OMVSVAFTHJNUBW-UHFFFAOYSA-N 1 0 403.504 3.577 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000478982496 999233713 /nfs/dbraw/zinc/23/37/13/999233713.db2.gz KRWVDFQEENYEIP-SFHVURJKSA-N 1 0 421.494 3.505 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000487956497 999327788 /nfs/dbraw/zinc/32/77/88/999327788.db2.gz NEBPUZBQZSQUOJ-VOBQZIQPSA-N 1 0 413.474 3.766 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccco1 ZINC000487977004 999333983 /nfs/dbraw/zinc/33/39/83/999333983.db2.gz IMXUUAIAYXFQGI-LJQANCHMSA-N 1 0 400.479 3.945 20 5 HHBDRO CC(C)NC(=O)c1ccc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000488011705 999347643 /nfs/dbraw/zinc/34/76/43/999347643.db2.gz UYCDUUVGHMQDGW-IBGZPJMESA-N 1 0 410.518 3.710 20 5 HHBDRO COc1ccc(CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000479434837 999415395 /nfs/dbraw/zinc/41/53/95/999415395.db2.gz FPVFGPXQNFGGHU-KRWDZBQOSA-N 1 0 418.538 3.790 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000488459538 999493048 /nfs/dbraw/zinc/49/30/48/999493048.db2.gz GIRZABJXOSQDGZ-JXFKEZNVSA-N 1 0 408.502 3.810 20 5 HHBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C2)CC1 ZINC000488464783 999495101 /nfs/dbraw/zinc/49/51/01/999495101.db2.gz AQRHJDCSRLITCR-HNNXBMFYSA-N 1 0 411.449 3.780 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000488681817 999570467 /nfs/dbraw/zinc/57/04/67/999570467.db2.gz JCXUZASCYCMDJP-OAHLLOKOSA-N 1 0 411.449 3.924 20 5 HHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(Br)cc4cccnc43)CC2)n1 ZINC000488754182 999597510 /nfs/dbraw/zinc/59/75/10/999597510.db2.gz UAAAUPRTLNEVRF-UHFFFAOYSA-N 1 0 416.279 3.939 20 5 HHBDRO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cccc2ccccc21 ZINC000488783027 999606326 /nfs/dbraw/zinc/60/63/26/999606326.db2.gz MPYJAXRRHYFTQU-IRXDYDNUSA-N 1 0 421.501 3.847 20 5 HHBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000479830568 999615874 /nfs/dbraw/zinc/61/58/74/999615874.db2.gz KRKXZXGZCOSUSI-KRWDZBQOSA-N 1 0 419.485 3.736 20 5 HHBDRO CN(Cc1ccccc1)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000479878961 999633841 /nfs/dbraw/zinc/63/38/41/999633841.db2.gz GARRRQDIDPERBI-HSZRJFAPSA-N 1 0 419.529 3.996 20 5 HHBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000479941369 999656710 /nfs/dbraw/zinc/65/67/10/999656710.db2.gz PTYJCCWTTMIHKN-UHFFFAOYSA-N 1 0 411.428 3.851 20 5 HHBDRO COc1cc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc([N+](=O)[O-])c1C ZINC000480046514 999700047 /nfs/dbraw/zinc/70/00/47/999700047.db2.gz FYKIAOXPVJBLGL-UHFFFAOYSA-N 1 0 411.502 3.693 20 5 HHBDRO Cc1c(CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000480070162 999708487 /nfs/dbraw/zinc/70/84/87/999708487.db2.gz MOMAEZQEJBVLGJ-UHFFFAOYSA-N 1 0 411.506 3.746 20 5 HHBDRO Cc1ccc([C@H](C)NC(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1[N+](=O)[O-] ZINC000489292960 999738809 /nfs/dbraw/zinc/73/88/09/999738809.db2.gz FLYYLQOVWPYGQP-INIZCTEOSA-N 1 0 406.552 3.625 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000480206791 999745245 /nfs/dbraw/zinc/74/52/45/999745245.db2.gz ATHBAYLJEKDAMD-SFHVURJKSA-N 1 0 408.462 3.531 20 5 HHBDRO Cc1nc(CN(C)[C@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)no1 ZINC000480234740 999752589 /nfs/dbraw/zinc/75/25/89/999752589.db2.gz XOPWBXWUKTXFQK-SFHVURJKSA-N 1 0 422.489 3.839 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000489522538 999783482 /nfs/dbraw/zinc/78/34/82/999783482.db2.gz WBQGTLUAXNMOLZ-GOSISDBHSA-N 1 0 419.485 3.517 20 5 HHBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489733844 999827544 /nfs/dbraw/zinc/82/75/44/999827544.db2.gz AEGXWPHFQHAWJD-HXUWFJFHSA-N 1 0 408.502 3.933 20 5 HHBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc21 ZINC000489859408 999850270 /nfs/dbraw/zinc/85/02/70/999850270.db2.gz MRKCUUNHMGXWPV-UHFFFAOYSA-N 1 0 418.400 3.965 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480685560 999858920 /nfs/dbraw/zinc/85/89/20/999858920.db2.gz AHTGZRJPGXXOGI-SZNDQCEHSA-N 1 0 411.437 3.564 20 5 HHBDRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000489968924 999870775 /nfs/dbraw/zinc/87/07/75/999870775.db2.gz UZAXWIJHFMSZBU-HXUWFJFHSA-N 1 0 402.470 3.958 20 5 HHBDRO COc1cc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)ccc1[N+](=O)[O-] ZINC000489987543 999873446 /nfs/dbraw/zinc/87/34/46/999873446.db2.gz JCFHUJGAKAVURD-UHFFFAOYSA-N 1 0 404.854 3.503 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000490028101 999880699 /nfs/dbraw/zinc/88/06/99/999880699.db2.gz SKEPRPMWBNCNKH-UHFFFAOYSA-N 1 0 403.508 3.812 20 5 HHBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490227379 999915558 /nfs/dbraw/zinc/91/55/58/999915558.db2.gz OLZOSPUPTIORKL-HOCLYGCPSA-N 1 0 419.428 3.837 20 5 HHBDRO COc1cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490367624 999945815 /nfs/dbraw/zinc/94/58/15/999945815.db2.gz MHRXQJBAMPQHLX-MRXNPFEDSA-N 1 0 413.465 3.698 20 5 HHBDRO COc1cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490593627 999981812 /nfs/dbraw/zinc/98/18/12/999981812.db2.gz WHFWLWFVZDSAQR-OAHLLOKOSA-N 1 0 413.465 3.555 20 5 HHBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490843028 1000014938 /nfs/dbraw/zinc/01/49/38/1000014938.db2.gz NWLMLPIHSIRXPL-QAPCUYQASA-N 1 0 401.894 3.818 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000491110532 1000046366 /nfs/dbraw/zinc/04/63/66/1000046366.db2.gz QSORIRLHYXDKOK-UHFFFAOYSA-N 1 0 423.579 3.962 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000491266394 1000060111 /nfs/dbraw/zinc/06/01/11/1000060111.db2.gz HALXLXIHJDBPMG-INIZCTEOSA-N 1 0 423.579 3.508 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492709206 1000140353 /nfs/dbraw/zinc/14/03/53/1000140353.db2.gz XRFDTJRVHMVJOI-UHFFFAOYSA-N 1 0 415.515 3.857 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000493137202 1000159499 /nfs/dbraw/zinc/15/94/99/1000159499.db2.gz GEIGNHICMNMUGU-SFHVURJKSA-N 1 0 409.552 3.574 20 5 HHBDRO O=[N+]([O-])c1cccc([C@@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc2)c1 ZINC000493245501 1000164947 /nfs/dbraw/zinc/16/49/47/1000164947.db2.gz CKMLBBNTZFLTIV-LOSJGSFVSA-N 1 0 417.509 3.911 20 5 HHBDRO Cc1c(Cl)cc(S(=O)(=O)N(c2ccccc2)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000493307858 1000168143 /nfs/dbraw/zinc/16/81/43/1000168143.db2.gz BHQDDAFMKLELHE-UHFFFAOYSA-N 1 0 423.922 3.846 20 5 HHBDRO O=C(NCC[NH+]1CCCC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000493439312 1000173659 /nfs/dbraw/zinc/17/36/59/1000173659.db2.gz FIDYPOHFIUZDOC-UHFFFAOYSA-N 1 0 402.882 3.686 20 5 HHBDRO COc1cc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493762306 1000190676 /nfs/dbraw/zinc/19/06/76/1000190676.db2.gz GKZFXZSTIGDRBU-CQSZACIVSA-N 1 0 424.400 3.567 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000493932443 1000222185 /nfs/dbraw/zinc/22/21/85/1000222185.db2.gz BPMDJZMGNVJZND-XLIONFOSSA-N 1 0 405.401 3.630 20 5 HHBDRO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000494020226 1000272000 /nfs/dbraw/zinc/27/20/00/1000272000.db2.gz XUCMEQSPMUBVHG-SCLBCKFNSA-N 1 0 418.291 3.750 20 5 HHBDRO C[C@@]1(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000494182816 1000348099 /nfs/dbraw/zinc/34/80/99/1000348099.db2.gz NBGZZZLJRJFJKU-QHCPKHFHSA-N 1 0 419.485 3.565 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000504899616 1000435856 /nfs/dbraw/zinc/43/58/56/1000435856.db2.gz JKKVGFFVIZTCGK-AEFFLSMTSA-N 1 0 416.547 3.875 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000504920696 1000449682 /nfs/dbraw/zinc/44/96/82/1000449682.db2.gz PNXSCUSZRCBPDO-ZWKOTPCHSA-N 1 0 401.532 3.755 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000504925823 1000451971 /nfs/dbraw/zinc/45/19/71/1000451971.db2.gz FONAZMTUZKQCMS-IOMROCGXSA-N 1 0 413.518 3.527 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000504926803 1000452995 /nfs/dbraw/zinc/45/29/95/1000452995.db2.gz KNVSBRBOIFYQBE-KRWDZBQOSA-N 1 0 408.545 3.800 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494445676 1000495965 /nfs/dbraw/zinc/49/59/65/1000495965.db2.gz KCRZSVYNZIUHCM-JOKNJTHLSA-N 1 0 419.865 3.704 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000494478988 1000514450 /nfs/dbraw/zinc/51/44/50/1000514450.db2.gz WMDKUYNVBXXASS-XLIONFOSSA-N 1 0 419.865 3.705 20 5 HHBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494479777 1000515281 /nfs/dbraw/zinc/51/52/81/1000515281.db2.gz YYGHQTOTRHAOSK-LSKLOWJMSA-N 1 0 407.829 3.834 20 5 HHBDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000494480798 1000515812 /nfs/dbraw/zinc/51/58/12/1000515812.db2.gz APESKKFEINFWAG-UHFFFAOYSA-N 1 0 423.922 3.928 20 5 HHBDRO COCC[N@H+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000505063720 1000532504 /nfs/dbraw/zinc/53/25/04/1000532504.db2.gz SFFRGYDLYBOGBQ-IBGZPJMESA-N 1 0 405.882 3.688 20 5 HHBDRO O=C(CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000494511792 1000533202 /nfs/dbraw/zinc/53/32/02/1000533202.db2.gz QLHQFNBCFIRYIM-QFBILLFUSA-N 1 0 407.829 3.836 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000505196267 1000611565 /nfs/dbraw/zinc/61/15/65/1000611565.db2.gz HWQUMQLMYIWNEU-UHFFFAOYSA-N 1 0 401.467 3.618 20 5 HHBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494871411 1000706605 /nfs/dbraw/zinc/70/66/05/1000706605.db2.gz BCZUURTXOFEQBD-BETUJISGSA-N 1 0 402.417 3.676 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000505487615 1000813558 /nfs/dbraw/zinc/81/35/58/1000813558.db2.gz JINSHMRRZNQAOA-GOSISDBHSA-N 1 0 401.532 4.000 20 5 HHBDRO COc1ccc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000495111587 1000847399 /nfs/dbraw/zinc/84/73/99/1000847399.db2.gz XHBRLICSOLXGML-TZIWHRDSSA-N 1 0 411.502 3.708 20 5 HHBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)cc2[N+](=O)[O-])C1 ZINC000505526500 1000872010 /nfs/dbraw/zinc/87/20/10/1000872010.db2.gz CVQQZJSFHGVADT-PMAPCBKXSA-N 1 0 414.550 3.635 20 5 HHBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000505581221 1000919382 /nfs/dbraw/zinc/91/93/82/1000919382.db2.gz LOXBBSGIACEYPC-BFUOFWGJSA-N 1 0 420.307 3.707 20 5 HHBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000495428036 1001009145 /nfs/dbraw/zinc/00/91/45/1001009145.db2.gz UXPDSOUGSVSWEY-UHFFFAOYSA-N 1 0 411.506 3.509 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1OC ZINC000505946373 1001120105 /nfs/dbraw/zinc/12/01/05/1001120105.db2.gz HXAQEMBUUOGLJZ-DLBZAZTESA-N 1 0 419.522 3.729 20 5 HHBDRO CCOc1ccc(C(=O)N(Cc2ccncc2)C[C@H]2CCC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000496242348 1001144453 /nfs/dbraw/zinc/14/44/53/1001144453.db2.gz FHZHNAITKOCZHM-LJQANCHMSA-N 1 0 412.490 3.515 20 5 HHBDRO COc1cc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000497201206 1001281171 /nfs/dbraw/zinc/28/11/71/1001281171.db2.gz VDADHYPJXONEAP-WFASDCNBSA-N 1 0 406.401 3.527 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000506232999 1001295716 /nfs/dbraw/zinc/29/57/16/1001295716.db2.gz NHBQVYGPRHVDFK-LSDHHAIUSA-N 1 0 415.943 3.523 20 5 HHBDRO CNC(=O)C1CC[NH+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000506294171 1001334697 /nfs/dbraw/zinc/33/46/97/1001334697.db2.gz IVQDRJLPPSEJCY-UHFFFAOYSA-N 1 0 403.866 3.999 20 5 HHBDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000506308541 1001343937 /nfs/dbraw/zinc/34/39/37/1001343937.db2.gz KJUFRTPGMFCZTI-SFHVURJKSA-N 1 0 414.458 3.567 20 5 HHBDRO COc1ccc(CCC[N@H+](C)[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000497455483 1001374711 /nfs/dbraw/zinc/37/47/11/1001374711.db2.gz HMXFATKKTDXYEO-OAHLLOKOSA-N 1 0 401.463 3.504 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1SC ZINC000497571956 1001441060 /nfs/dbraw/zinc/44/10/60/1001441060.db2.gz VGZTWLLAFFWVDJ-UHFFFAOYSA-N 1 0 403.504 3.529 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000497691339 1001486558 /nfs/dbraw/zinc/48/65/58/1001486558.db2.gz OICBKWIYLDZYGB-QGZVFWFLSA-N 1 0 408.886 3.766 20 5 HHBDRO CC1=CC[N@H+](CCNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000506664383 1001487200 /nfs/dbraw/zinc/48/72/00/1001487200.db2.gz VNXVOWRHCZRSJV-KRWDZBQOSA-N 1 0 409.490 3.545 20 5 HHBDRO CC[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[N@@H+]1CCc2ccccc2C1 ZINC000498039795 1001618165 /nfs/dbraw/zinc/61/81/65/1001618165.db2.gz XZSGNYMIDPMRER-FQEVSTJZSA-N 1 0 406.486 3.503 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498183733 1001678030 /nfs/dbraw/zinc/67/80/30/1001678030.db2.gz UGDNOCOOPJLTCH-OAHLLOKOSA-N 1 0 419.428 3.933 20 5 HHBDRO O=C1CCc2cc([N+](=O)[O-])c(Nc3ccc(CC[NH+]4CCSCC4)cc3)cc2N1 ZINC000507013499 1001764429 /nfs/dbraw/zinc/76/44/29/1001764429.db2.gz DCTMTGRKWPHZTE-UHFFFAOYSA-N 1 0 412.515 3.814 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000498407373 1001835010 /nfs/dbraw/zinc/83/50/10/1001835010.db2.gz BMLRPVJCGHLBIS-GJZGRUSLSA-N 1 0 402.520 3.816 20 5 HHBDRO CCC[NH+]1CCC(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000507159562 1001847346 /nfs/dbraw/zinc/84/73/46/1001847346.db2.gz IFXIIMRQXPNYSP-INIZCTEOSA-N 1 0 411.506 3.767 20 5 HHBDRO Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)ccc1[N+](=O)[O-] ZINC000507255291 1001938128 /nfs/dbraw/zinc/93/81/28/1001938128.db2.gz FNEKAHGRFHJHOO-OAQYLSRUSA-N 1 0 423.513 3.562 20 5 HHBDRO COc1ccc(NC(=O)CC[NH+]2CCC(Nc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000507255543 1001938585 /nfs/dbraw/zinc/93/85/85/1001938585.db2.gz SYYBTQOXXQJOKL-UHFFFAOYSA-N 1 0 416.453 3.648 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC(C[NH+]4CCCC4)CC3)cc2[N+](=O)[O-])C1 ZINC000498521581 1001943730 /nfs/dbraw/zinc/94/37/30/1001943730.db2.gz GGBKSSVCVSQIOX-SFHVURJKSA-N 1 0 414.550 3.779 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CCC(C[NH+]4CCCC4)CC3)cc2[N+](=O)[O-])CC1 ZINC000498529469 1001950144 /nfs/dbraw/zinc/95/01/44/1001950144.db2.gz ZJPKBGNMCRIDND-UHFFFAOYSA-N 1 0 414.550 3.779 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC(CC[NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000498605256 1002009668 /nfs/dbraw/zinc/00/96/68/1002009668.db2.gz ZAVOXQWNEFNENK-KRWDZBQOSA-N 1 0 402.539 3.635 20 5 HHBDRO COc1cccc(C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)c1 ZINC000498691098 1002078585 /nfs/dbraw/zinc/07/85/85/1002078585.db2.gz BYRRBKNGMJRZCK-UHFFFAOYSA-N 1 0 413.474 3.820 20 5 HHBDRO CC(=O)N1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC12CCCCC2 ZINC000498939420 1002339349 /nfs/dbraw/zinc/33/93/49/1002339349.db2.gz NGSDOUPCCVVMLL-UHFFFAOYSA-N 1 0 412.490 3.659 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000508150145 1002685521 /nfs/dbraw/zinc/68/55/21/1002685521.db2.gz OFXFMVLLEXOPLF-KRWDZBQOSA-N 1 0 412.538 3.871 20 5 HHBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000499428144 1002812150 /nfs/dbraw/zinc/81/21/50/1002812150.db2.gz QRGHLQLTYJJFLR-UHFFFAOYSA-N 1 0 405.458 3.527 20 5 HHBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000508341763 1002844120 /nfs/dbraw/zinc/84/41/20/1002844120.db2.gz WHGNSXNIGJOOIQ-KURKYZTESA-N 1 0 402.539 3.681 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[NH+]2CCCC2)cc1 ZINC000508777817 1003207935 /nfs/dbraw/zinc/20/79/35/1003207935.db2.gz HVDDVFGWVMUYHH-LJQANCHMSA-N 1 0 409.442 3.917 20 5 HHBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCN(c2ccccn2)CC1 ZINC000500072023 1003424027 /nfs/dbraw/zinc/42/40/27/1003424027.db2.gz BGEIEKHGWGSVSS-UHFFFAOYSA-N 1 0 411.506 3.557 20 5 HHBDRO CN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000500106173 1003468159 /nfs/dbraw/zinc/46/81/59/1003468159.db2.gz BIDBPRYOWOAXGT-UHFFFAOYSA-N 1 0 423.922 3.533 20 5 HHBDRO Cc1ccc([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)cc1[N+](=O)[O-] ZINC000500106403 1003468240 /nfs/dbraw/zinc/46/82/40/1003468240.db2.gz PBDVUNLKCXUXLB-KRWDZBQOSA-N 1 0 421.501 3.819 20 5 HHBDRO COc1c(C)cnc(CN2CCC([N@H+](C)CCc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000509056616 1003520465 /nfs/dbraw/zinc/52/04/65/1003520465.db2.gz OGZBAUYZNZLFQG-UHFFFAOYSA-N 1 0 412.534 3.754 20 5 HHBDRO CCC[NH+]1CCC(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000500233921 1003571091 /nfs/dbraw/zinc/57/10/91/1003571091.db2.gz ISXGENTWBWWPCE-ROUUACIJSA-N 1 0 416.566 3.929 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000509215032 1003629561 /nfs/dbraw/zinc/62/95/61/1003629561.db2.gz FLOOMKZWRSLRSI-UHFFFAOYSA-N 1 0 401.488 3.713 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH+]2CCC(c3nncn3C)CC2)cc1[N+](=O)[O-] ZINC000509398695 1003830573 /nfs/dbraw/zinc/83/05/73/1003830573.db2.gz GZWRKUVZSGBXQU-UHFFFAOYSA-N 1 0 406.490 3.871 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3nnnn3-c3ccccc3)s2)cc1 ZINC000509428645 1003854771 /nfs/dbraw/zinc/85/47/71/1003854771.db2.gz HIKRUVPVFUDPPD-UHFFFAOYSA-N 1 0 406.471 3.631 20 5 HHBDRO CC1(C)CN(Cc2ccccc2)CC[C@H]1Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000509520552 1003920725 /nfs/dbraw/zinc/92/07/25/1003920725.db2.gz DFEHJQKQNMCLDM-MRXNPFEDSA-N 1 0 423.560 3.772 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(OC)c1 ZINC000512076146 1004003659 /nfs/dbraw/zinc/00/36/59/1004003659.db2.gz LGUXKIJDPRZXPE-HXUWFJFHSA-N 1 0 410.474 3.898 20 5 HHBDRO Cc1c(Br)cc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000509649167 1004004785 /nfs/dbraw/zinc/00/47/85/1004004785.db2.gz KXNMQOBXBXIMOG-UHFFFAOYSA-N 1 0 406.280 3.657 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000512157380 1004065200 /nfs/dbraw/zinc/06/52/00/1004065200.db2.gz XPOJPIDQQDXQHG-LJQANCHMSA-N 1 0 400.479 3.517 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000509781535 1004092629 /nfs/dbraw/zinc/09/26/29/1004092629.db2.gz IIKRSBRKVNLQDG-HNNXBMFYSA-N 1 0 407.392 3.866 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000501036975 1004139982 /nfs/dbraw/zinc/13/99/82/1004139982.db2.gz ORSSUVQPUPVMRB-FXAWDEMLSA-N 1 0 401.438 3.915 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)n2)cc1 ZINC000512256688 1004159074 /nfs/dbraw/zinc/15/90/74/1004159074.db2.gz ACQYMRMEUPEMIF-QHCPKHFHSA-N 1 0 419.485 3.743 20 5 HHBDRO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000512278876 1004179806 /nfs/dbraw/zinc/17/98/06/1004179806.db2.gz DVFOMIRAFIBZIC-UHFFFAOYSA-N 1 0 413.522 3.761 20 5 HHBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000512415125 1004282509 /nfs/dbraw/zinc/28/25/09/1004282509.db2.gz JNVXJJJZYFKGKH-INIZCTEOSA-N 1 0 415.490 3.992 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2[N+](=O)[O-])C1 ZINC000512479708 1004332738 /nfs/dbraw/zinc/33/27/38/1004332738.db2.gz MZDFJUGXMFKXQU-GOSISDBHSA-N 1 0 402.539 3.827 20 5 HHBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000501374982 1004374833 /nfs/dbraw/zinc/37/48/33/1004374833.db2.gz YGUHPMFUTKVOTQ-UWJYYQICSA-N 1 0 419.485 3.598 20 5 HHBDRO CCOc1cc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000510412013 1004547593 /nfs/dbraw/zinc/54/75/93/1004547593.db2.gz JMHROAXPZXBJHK-HUUCEWRRSA-N 1 0 408.499 3.634 20 5 HHBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000510542752 1004675404 /nfs/dbraw/zinc/67/54/04/1004675404.db2.gz BWYHLZLSOQVBHO-LHSJRXKWSA-N 1 0 408.458 3.578 20 5 HHBDRO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(C(F)(F)F)c1 ZINC000510568783 1004712968 /nfs/dbraw/zinc/71/29/68/1004712968.db2.gz HOACHEJQZYYVHL-JTQLQIEISA-N 1 0 411.336 3.632 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)s1 ZINC000512977812 1004741592 /nfs/dbraw/zinc/74/15/92/1004741592.db2.gz SICOASKKBWXUFW-KRWDZBQOSA-N 1 0 415.437 3.676 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000513007106 1004755910 /nfs/dbraw/zinc/75/59/10/1004755910.db2.gz JFHLFXNNRCXJGI-NTEUORMPSA-N 1 0 402.882 3.874 20 5 HHBDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3c(F)cc([N+](=O)[O-])cc3F)CCN2C2CC2)c1 ZINC000510642119 1004773194 /nfs/dbraw/zinc/77/31/94/1004773194.db2.gz YTWYOXYHBMJEDK-RTWAWAEBSA-N 1 0 403.429 3.949 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000510656353 1004782866 /nfs/dbraw/zinc/78/28/66/1004782866.db2.gz LJOUOQVQOQFONR-OAHLLOKOSA-N 1 0 415.469 3.759 20 5 HHBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000513072807 1004792100 /nfs/dbraw/zinc/79/21/00/1004792100.db2.gz CDYYFUFAEKWYCQ-UHFFFAOYSA-N 1 0 406.486 3.857 20 5 HHBDRO CCOc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000513121105 1004818062 /nfs/dbraw/zinc/81/80/62/1004818062.db2.gz YLFPJOUWYKWCNE-JKSUJKDBSA-N 1 0 415.490 3.700 20 5 HHBDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000513157716 1004837156 /nfs/dbraw/zinc/83/71/56/1004837156.db2.gz DFCKJMDIAQNFDK-GOSISDBHSA-N 1 0 407.264 3.925 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]CC1CCOCC1)c1ccccc1 ZINC000501969421 1004837632 /nfs/dbraw/zinc/83/76/32/1004837632.db2.gz OBGDWPAWUIGSRW-IBGZPJMESA-N 1 0 403.866 3.944 20 5 HHBDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1Br ZINC000510954448 1004951871 /nfs/dbraw/zinc/95/18/71/1004951871.db2.gz UAVOWCXCNOQJCO-GFCCVEGCSA-N 1 0 422.279 3.964 20 5 HHBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510955218 1004952529 /nfs/dbraw/zinc/95/25/29/1004952529.db2.gz WKTRVUPYAOPEIL-UPJWGTAASA-N 1 0 400.426 3.684 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000511047686 1004996213 /nfs/dbraw/zinc/99/62/13/1004996213.db2.gz PMWQRAKCGHRGBU-IAGOWNOFSA-N 1 0 417.531 3.551 20 5 HHBDRO Cn1cc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000502314477 1005007325 /nfs/dbraw/zinc/00/73/25/1005007325.db2.gz ULPOSFUYQSOACW-SFHVURJKSA-N 1 0 420.517 3.908 20 5 HHBDRO C[N@H+](CCC(=O)Nc1cccc(Br)c1)CCc1ccccc1[N+](=O)[O-] ZINC000511126370 1005032943 /nfs/dbraw/zinc/03/29/43/1005032943.db2.gz PQXKDGIBTYFCBF-UHFFFAOYSA-N 1 0 406.280 3.860 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511127610 1005033226 /nfs/dbraw/zinc/03/32/26/1005033226.db2.gz WITVHGQMRFVPTD-KKSFZXQISA-N 1 0 406.429 3.896 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 ZINC000511164659 1005053880 /nfs/dbraw/zinc/05/38/80/1005053880.db2.gz JHJQJHRDWBJYKE-HNNXBMFYSA-N 1 0 424.457 3.516 20 5 HHBDRO COc1ccc(CN2CC[NH+](CC3CC3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513633007 1005058399 /nfs/dbraw/zinc/05/83/99/1005058399.db2.gz VJWFCZKQGNZDLE-UHFFFAOYSA-N 1 0 411.502 3.710 20 5 HHBDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000513689202 1005082990 /nfs/dbraw/zinc/08/29/90/1005082990.db2.gz AEPZJZDFAXELCV-FQEVSTJZSA-N 1 0 415.490 3.512 20 5 HHBDRO O=C(c1ccncc1)N1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000513787549 1005127176 /nfs/dbraw/zinc/12/71/76/1005127176.db2.gz ARLDGXZXJOTYRR-RXVVDRJESA-N 1 0 408.502 3.595 20 5 HHBDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000511495749 1005200734 /nfs/dbraw/zinc/20/07/34/1005200734.db2.gz SMGHUJHJZSVGJS-DOTOQJQBSA-N 1 0 417.531 3.686 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000511528269 1005211810 /nfs/dbraw/zinc/21/18/10/1005211810.db2.gz DSUNRKXHEDGRTR-WIYYLYMNSA-N 1 0 410.518 3.832 20 5 HHBDRO CCC1(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000514047777 1005242843 /nfs/dbraw/zinc/24/28/43/1005242843.db2.gz NZMAQCHCHAOOOL-UHFFFAOYSA-N 1 0 413.522 3.864 20 5 HHBDRO CCC1(CNC(=O)COc2ccccc2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000514061018 1005248775 /nfs/dbraw/zinc/24/87/75/1005248775.db2.gz XURBQIZUQVCHJA-UHFFFAOYSA-N 1 0 411.502 3.782 20 5 HHBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000502904491 1005268456 /nfs/dbraw/zinc/26/84/56/1005268456.db2.gz IVXWIVOCMDQYSD-UHFFFAOYSA-N 1 0 414.531 3.856 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000514165920 1005295824 /nfs/dbraw/zinc/29/58/24/1005295824.db2.gz XOGZWAJDBGZCLL-UHFFFAOYSA-N 1 0 409.389 3.526 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514195157 1005307030 /nfs/dbraw/zinc/30/70/30/1005307030.db2.gz OOFQFYRCOALSEA-UHFFFAOYSA-N 1 0 411.380 3.539 20 5 HHBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000514224229 1005320813 /nfs/dbraw/zinc/32/08/13/1005320813.db2.gz ZPLPGTQUXLPZTF-OAHLLOKOSA-N 1 0 411.449 3.924 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000503465316 1005428877 /nfs/dbraw/zinc/42/88/77/1005428877.db2.gz SMIBPYWKTTVCPH-QGZVFWFLSA-N 1 0 422.485 3.908 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000503489413 1005435363 /nfs/dbraw/zinc/43/53/63/1005435363.db2.gz CLTTYTVAHNBAAT-HXUWFJFHSA-N 1 0 411.502 3.664 20 5 HHBDRO O=C(Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000514569825 1006040315 /nfs/dbraw/zinc/04/03/15/1006040315.db2.gz RYYSBGQBUDTFGF-UHFFFAOYSA-N 1 0 420.469 3.758 20 5 HHBDRO Cc1ccc(C(C)(C)[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cn1 ZINC000514694905 1006084901 /nfs/dbraw/zinc/08/49/01/1006084901.db2.gz RFAKGYAUQYNZRY-UHFFFAOYSA-N 1 0 411.243 3.928 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1OC ZINC000531306820 1006107019 /nfs/dbraw/zinc/10/70/19/1006107019.db2.gz MYAVDKXJDMQUCS-QGZVFWFLSA-N 1 0 421.881 3.688 20 5 HHBDRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1OC ZINC000514926609 1006207570 /nfs/dbraw/zinc/20/75/70/1006207570.db2.gz DWYBENDHVYFETG-OAHLLOKOSA-N 1 0 401.463 3.908 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531489244 1006227322 /nfs/dbraw/zinc/22/73/22/1006227322.db2.gz KKJIZBITKBYRLW-URXFXBBRSA-N 1 0 420.465 3.930 20 5 HHBDRO CCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000534361069 1006326417 /nfs/dbraw/zinc/32/64/17/1006326417.db2.gz DEPRNUZWKPEZQH-NHCUHLMSSA-N 1 0 416.566 3.566 20 5 HHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000515189480 1006330848 /nfs/dbraw/zinc/33/08/48/1006330848.db2.gz NADZBWQAZDSUCI-MPTYRVRUSA-N 1 0 408.930 3.912 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000515526713 1006515585 /nfs/dbraw/zinc/51/55/85/1006515585.db2.gz LMULJAVUUHPVEA-INIZCTEOSA-N 1 0 417.531 3.614 20 5 HHBDRO CS(=O)(=O)c1ccc(Nc2ccc(CC[NH+]3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000515607375 1006558292 /nfs/dbraw/zinc/55/82/92/1006558292.db2.gz NGHHGEOKATUUGQ-UHFFFAOYSA-N 1 0 403.504 3.770 20 5 HHBDRO COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000515624126 1006563718 /nfs/dbraw/zinc/56/37/18/1006563718.db2.gz CSDBIZMMCAGFOQ-KBPBESRZSA-N 1 0 414.384 3.972 20 5 HHBDRO C[N@H+](CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000532397334 1006843911 /nfs/dbraw/zinc/84/39/11/1006843911.db2.gz QTTCLZZIWXMQQR-UHFFFAOYSA-N 1 0 404.470 3.764 20 5 HHBDRO CCCCCNC(=O)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532469985 1006909713 /nfs/dbraw/zinc/90/97/13/1006909713.db2.gz ZNPOIGUEPNLEKZ-UHFFFAOYSA-N 1 0 414.506 3.811 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000532485321 1006925494 /nfs/dbraw/zinc/92/54/94/1006925494.db2.gz RNBZOPBRLPPXHK-INIZCTEOSA-N 1 0 405.520 3.519 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000532485322 1006925794 /nfs/dbraw/zinc/92/57/94/1006925794.db2.gz RNBZOPBRLPPXHK-MRXNPFEDSA-N 1 0 405.520 3.519 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000534959602 1007005844 /nfs/dbraw/zinc/00/58/44/1007005844.db2.gz CCRFCZRUMFUHOS-VBKZILBWSA-N 1 0 421.856 3.575 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000532576211 1007008506 /nfs/dbraw/zinc/00/85/06/1007008506.db2.gz CYPMPMNUHXFDCU-IBGZPJMESA-N 1 0 410.518 3.828 20 5 HHBDRO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000538738262 1007021817 /nfs/dbraw/zinc/02/18/17/1007021817.db2.gz JTNFTXWFXRDQJX-UXHICEINSA-N 1 0 411.502 3.851 20 5 HHBDRO CNc1ccc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1[N+](=O)[O-] ZINC000534984951 1007043772 /nfs/dbraw/zinc/04/37/72/1007043772.db2.gz PEBMFAGPYAWYEX-UHFFFAOYSA-N 1 0 408.502 3.765 20 5 HHBDRO CC[NH+](CC)CCN(C(=O)c1ccc([N+](=O)[O-])n1C)c1cccc(Br)c1 ZINC000516369307 1007046715 /nfs/dbraw/zinc/04/67/15/1007046715.db2.gz NLPCMGVKBXGTSP-UHFFFAOYSA-N 1 0 423.311 3.684 20 5 HHBDRO C[C@H]1C[C@H](CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000538764635 1007049892 /nfs/dbraw/zinc/04/98/92/1007049892.db2.gz RAJXZSLKTDHFSJ-HOCLYGCPSA-N 1 0 423.560 3.772 20 5 HHBDRO O=[N+]([O-])c1ccccc1CNc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000538826115 1007099002 /nfs/dbraw/zinc/09/90/02/1007099002.db2.gz QRXFLRHAKJGDNV-UHFFFAOYSA-N 1 0 417.513 3.967 20 5 HHBDRO O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cc(Cl)ccc1Cl ZINC000532704989 1007119139 /nfs/dbraw/zinc/11/91/39/1007119139.db2.gz ZLTYVYICAATWKC-CYBMUJFWSA-N 1 0 424.288 3.812 20 5 HHBDRO CC(C)C(=O)NCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000535202408 1007250615 /nfs/dbraw/zinc/25/06/15/1007250615.db2.gz SRFHIIISKKNEMO-UHFFFAOYSA-N 1 0 424.295 3.869 20 5 HHBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535278074 1007329305 /nfs/dbraw/zinc/32/93/05/1007329305.db2.gz PCHIGBOXXRAVIA-SFHVURJKSA-N 1 0 400.504 3.561 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000539068634 1007360270 /nfs/dbraw/zinc/36/02/70/1007360270.db2.gz DHTYDKDSDDAGSX-ZDUSSCGKSA-N 1 0 422.279 3.743 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000539072050 1007362919 /nfs/dbraw/zinc/36/29/19/1007362919.db2.gz BDDIUMPNLROFIY-CQSZACIVSA-N 1 0 411.487 3.663 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000539075577 1007366315 /nfs/dbraw/zinc/36/63/15/1007366315.db2.gz IIZCOBPXRHUUPK-FPOVZHCZSA-N 1 0 401.551 3.931 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000533012218 1007375473 /nfs/dbraw/zinc/37/54/73/1007375473.db2.gz MPWFHFILFLVCSK-RDJZCZTQSA-N 1 0 413.499 3.824 20 5 HHBDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000539090811 1007380025 /nfs/dbraw/zinc/38/00/25/1007380025.db2.gz IRRQFZRWLURYNY-QRWLVFNGSA-N 1 0 417.531 3.517 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000533066131 1007429139 /nfs/dbraw/zinc/42/91/39/1007429139.db2.gz NOMRDBAAOIPJAQ-UHFFFAOYSA-N 1 0 423.473 3.688 20 5 HHBDRO COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000533075169 1007438331 /nfs/dbraw/zinc/43/83/31/1007438331.db2.gz OGFNDHMHYLAQGJ-XJKSGUPXSA-N 1 0 411.449 3.654 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000539219774 1007510163 /nfs/dbraw/zinc/51/01/63/1007510163.db2.gz QSHAJAYRDMHROF-RYUDHWBXSA-N 1 0 409.389 3.883 20 5 HHBDRO CC(C)(C)c1ccc(Oc2ccc(C[NH2+]C[C@@]3(O)CCOC3)cc2[N+](=O)[O-])cc1 ZINC000533178537 1007521024 /nfs/dbraw/zinc/52/10/24/1007521024.db2.gz QYFAXAGTMXNKHK-QFIPXVFZSA-N 1 0 400.475 3.926 20 5 HHBDRO COc1ccc(-c2ccc(CNc3ccc(N4CC[NH+](C)CC4)cn3)o2)c([N+](=O)[O-])c1 ZINC000533191120 1007528014 /nfs/dbraw/zinc/52/80/14/1007528014.db2.gz VVFIEPJJDDZYNA-UHFFFAOYSA-N 1 0 423.473 3.622 20 5 HHBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(OCC(F)(F)F)cc1 ZINC000539262301 1007557608 /nfs/dbraw/zinc/55/76/08/1007557608.db2.gz FAGAKFKQCZAKTG-ZDUSSCGKSA-N 1 0 423.391 3.776 20 5 HHBDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000533266436 1007582128 /nfs/dbraw/zinc/58/21/28/1007582128.db2.gz GQMVAZFLYQXPOP-JOCHJYFZSA-N 1 0 419.485 3.655 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000539288059 1007584521 /nfs/dbraw/zinc/58/45/21/1007584521.db2.gz UUFZBILQRGXTDI-OAHLLOKOSA-N 1 0 419.441 3.531 20 5 HHBDRO COc1ccccc1CN1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000533274537 1007587739 /nfs/dbraw/zinc/58/77/39/1007587739.db2.gz XJOBAGZSKGAQQB-UHFFFAOYSA-N 1 0 422.485 3.619 20 5 HHBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000539295795 1007593133 /nfs/dbraw/zinc/59/31/33/1007593133.db2.gz SHSYBAZZLGLBGI-MRXNPFEDSA-N 1 0 406.442 3.972 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)c([N+](=O)[O-])c1 ZINC000539297316 1007595105 /nfs/dbraw/zinc/59/51/05/1007595105.db2.gz QQGIURULZNLFCT-ZIAGYGMSSA-N 1 0 417.462 3.607 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000533291159 1007604518 /nfs/dbraw/zinc/60/45/18/1007604518.db2.gz GITYFPNPFXMCPR-FQEVSTJZSA-N 1 0 412.490 3.835 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000539331241 1007631266 /nfs/dbraw/zinc/63/12/66/1007631266.db2.gz LUBGCDRJMSIGCP-APWZRJJASA-N 1 0 411.458 3.650 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000539342903 1007643702 /nfs/dbraw/zinc/64/37/02/1007643702.db2.gz RKAWIDDKVNRHRT-OAHLLOKOSA-N 1 0 406.442 3.955 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533344478 1007651726 /nfs/dbraw/zinc/65/17/26/1007651726.db2.gz XNPRJMPEKOWFKU-UHFFFAOYSA-N 1 0 419.441 3.558 20 5 HHBDRO CC1CC[NH+]([C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c2ccccc2)CC1 ZINC000517464127 1007688574 /nfs/dbraw/zinc/68/85/74/1007688574.db2.gz JOCIMRPDYARICT-IBGZPJMESA-N 1 0 411.458 3.527 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000533437137 1007751241 /nfs/dbraw/zinc/75/12/41/1007751241.db2.gz FUUQMNUJDMESBS-MRXNPFEDSA-N 1 0 401.438 3.636 20 5 HHBDRO COCCN1CC[C@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000517559004 1007770493 /nfs/dbraw/zinc/77/04/93/1007770493.db2.gz NSGNLKMHUCDEMN-KRWDZBQOSA-N 1 0 405.882 3.851 20 5 HHBDRO CC(C)[C@H](CO)[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000533478700 1007784439 /nfs/dbraw/zinc/78/44/39/1007784439.db2.gz QNCZLABIXYBWRG-IBGZPJMESA-N 1 0 405.882 3.706 20 5 HHBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc2cc(Cl)ccc2o1 ZINC000539510167 1007820393 /nfs/dbraw/zinc/82/03/93/1007820393.db2.gz OXFMKHPNTJXIBS-LBPRGKRZSA-N 1 0 423.878 3.624 20 5 HHBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000535817806 1007829407 /nfs/dbraw/zinc/82/94/07/1007829407.db2.gz KNXHQRMOZGGDRZ-UHFFFAOYSA-N 1 0 415.515 3.570 20 5 HHBDRO O=C(C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533513846 1007833623 /nfs/dbraw/zinc/83/36/23/1007833623.db2.gz XAZITMFTNVEHCE-HXUWFJFHSA-N 1 0 401.394 3.532 20 5 HHBDRO COc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000517642766 1007852546 /nfs/dbraw/zinc/85/25/46/1007852546.db2.gz IUDQXSZIAMHHFV-ZDUSSCGKSA-N 1 0 419.865 3.731 20 5 HHBDRO O=C(c1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cc1)N1CCOCC1 ZINC000533580103 1007883423 /nfs/dbraw/zinc/88/34/23/1007883423.db2.gz LUHAYTZGEOCXLU-UNMCSNQZSA-N 1 0 423.513 3.568 20 5 HHBDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)C2)c1 ZINC000539665140 1007983619 /nfs/dbraw/zinc/98/36/19/1007983619.db2.gz ZWKJYEYPKCUYGR-PGRDOPGGSA-N 1 0 411.502 3.802 20 5 HHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000539686987 1008006789 /nfs/dbraw/zinc/00/67/89/1008006789.db2.gz PXGZABWASBTOEG-AYOQOUSVSA-N 1 0 421.563 3.811 20 5 HHBDRO CC(C)NC(=O)c1ccc(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000517874043 1008023443 /nfs/dbraw/zinc/02/34/43/1008023443.db2.gz XIQLXXQPPGPILZ-UHFFFAOYSA-N 1 0 410.518 3.834 20 5 HHBDRO COc1ccc(OCC[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000518010091 1008100871 /nfs/dbraw/zinc/10/08/71/1008100871.db2.gz AYAGDYQVBNTUCC-FXAWDEMLSA-N 1 0 405.882 3.671 20 5 HHBDRO CCCCOc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC ZINC000539838866 1008130870 /nfs/dbraw/zinc/13/08/70/1008130870.db2.gz ZXFKITIIPYMKQI-KRWDZBQOSA-N 1 0 400.479 3.864 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[NH+]1CCCC1 ZINC000533825450 1008136375 /nfs/dbraw/zinc/13/63/75/1008136375.db2.gz AIRLKGXQIFYMCZ-NRFANRHFSA-N 1 0 424.501 3.508 20 5 HHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2cnc(SC3CCCC3)nc2)n1 ZINC000518205115 1008205279 /nfs/dbraw/zinc/20/52/79/1008205279.db2.gz RDTSQXQHEOHYJQ-ZWKOTPCHSA-N 1 0 416.551 3.932 20 5 HHBDRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000518283534 1008238852 /nfs/dbraw/zinc/23/88/52/1008238852.db2.gz YMQFYVPTRITWOG-UHFFFAOYSA-N 1 0 414.437 3.801 20 5 HHBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000540160352 1008316241 /nfs/dbraw/zinc/31/62/41/1008316241.db2.gz CQHSKGAHBDNTGL-LRAJWGHMSA-N 1 0 401.463 3.686 20 5 HHBDRO O=C(CC(F)(F)F)N1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000540177401 1008324069 /nfs/dbraw/zinc/32/40/69/1008324069.db2.gz LVAIVUKAZXMNQF-RHSMWYFYSA-N 1 0 413.440 3.839 20 5 HHBDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1OC(F)F ZINC000540345088 1008390792 /nfs/dbraw/zinc/39/07/92/1008390792.db2.gz ZHSUPNYDZNHIKQ-LBPRGKRZSA-N 1 0 407.373 3.845 20 5 HHBDRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000540375582 1008405611 /nfs/dbraw/zinc/40/56/11/1008405611.db2.gz HOBPDABWFPICSP-DNVCBOLYSA-N 1 0 413.474 3.626 20 5 HHBDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)N2CCOCC2)o1 ZINC000518770891 1008417056 /nfs/dbraw/zinc/41/70/56/1008417056.db2.gz FLYOKQKJKKTEAJ-HXUWFJFHSA-N 1 0 411.458 3.919 20 5 HHBDRO C[C@@H]1CCC[C@@](CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000518782353 1008418697 /nfs/dbraw/zinc/41/86/97/1008418697.db2.gz SFCNSECBAJLZFE-FZKQIMNGSA-N 1 0 417.428 3.776 20 5 HHBDRO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000540475151 1008446133 /nfs/dbraw/zinc/44/61/33/1008446133.db2.gz FSQKSZVQYPIHKC-FQEVSTJZSA-N 1 0 424.545 3.597 20 5 HHBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 ZINC000518852203 1008446256 /nfs/dbraw/zinc/44/62/56/1008446256.db2.gz ZXPQHJVTXKRKTB-INIZCTEOSA-N 1 0 407.474 3.640 20 5 HHBDRO COc1cccc2sc(NC(=O)C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc21 ZINC000540476302 1008447081 /nfs/dbraw/zinc/44/70/81/1008447081.db2.gz CVTKBULTCCHPMB-LBPRGKRZSA-N 1 0 400.460 3.811 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000518898878 1008464737 /nfs/dbraw/zinc/46/47/37/1008464737.db2.gz HQUYLNVIESZDSS-CQSZACIVSA-N 1 0 421.881 3.985 20 5 HHBDRO CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545517699 1008619651 /nfs/dbraw/zinc/61/96/51/1008619651.db2.gz ZKJHXQQADUVNFJ-FQEVSTJZSA-N 1 0 407.474 3.741 20 5 HHBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000549071460 1008636427 /nfs/dbraw/zinc/63/64/27/1008636427.db2.gz ZHEXWJYXHQVEHY-SFHVURJKSA-N 1 0 412.538 3.966 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549163151 1008734485 /nfs/dbraw/zinc/73/44/85/1008734485.db2.gz YFDBDPLKQKTRCO-OAQYLSRUSA-N 1 0 410.518 3.732 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000543172592 1008747711 /nfs/dbraw/zinc/74/77/11/1008747711.db2.gz IYXGKYPQOGBBOZ-KUHUBIRLSA-N 1 0 418.519 3.547 20 5 HHBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 ZINC000543182799 1008756930 /nfs/dbraw/zinc/75/69/30/1008756930.db2.gz YMBFVQNKGVGFSB-MRXNPFEDSA-N 1 0 411.483 3.781 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000543208097 1008778491 /nfs/dbraw/zinc/77/84/91/1008778491.db2.gz GSYKXEDUTCJSOA-HXUWFJFHSA-N 1 0 412.486 3.714 20 5 HHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1 ZINC000545710709 1008804930 /nfs/dbraw/zinc/80/49/30/1008804930.db2.gz VWWNMRHTQAVKNX-NXVVXOECSA-N 1 0 405.458 3.957 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)s1 ZINC000549264247 1008833789 /nfs/dbraw/zinc/83/37/89/1008833789.db2.gz TVTYVPNFFSVDRE-QRWLVFNGSA-N 1 0 402.516 3.981 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000549421022 1009009515 /nfs/dbraw/zinc/00/95/15/1009009515.db2.gz MGYMFHQKTJCDLC-UHFFFAOYSA-N 1 0 403.504 3.697 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)c1 ZINC000549454401 1009044694 /nfs/dbraw/zinc/04/46/94/1009044694.db2.gz OUDAOYIMNUYODI-SFHVURJKSA-N 1 0 412.490 3.515 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000546009619 1009045398 /nfs/dbraw/zinc/04/53/98/1009045398.db2.gz RGDJGJFORHKXMI-QGZVFWFLSA-N 1 0 410.396 3.716 20 5 HHBDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000519891682 1009058042 /nfs/dbraw/zinc/05/80/42/1009058042.db2.gz NNKOJGSFMKMHFQ-DOTOQJQBSA-N 1 0 421.494 3.580 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543560581 1009167529 /nfs/dbraw/zinc/16/75/29/1009167529.db2.gz IWSMONSGTWWLGM-YLJYHZDGSA-N 1 0 401.438 3.833 20 5 HHBDRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000549551504 1009169146 /nfs/dbraw/zinc/16/91/46/1009169146.db2.gz YUQBHENQMCQOKR-UHFFFAOYSA-N 1 0 406.442 3.644 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000549556373 1009174028 /nfs/dbraw/zinc/17/40/28/1009174028.db2.gz ZUEZDTPSUWWCKH-QFIPXVFZSA-N 1 0 410.518 3.924 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543595307 1009201103 /nfs/dbraw/zinc/20/11/03/1009201103.db2.gz MMKJEJQWMUQXDL-WNYOCNMUSA-N 1 0 401.438 3.961 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000520112193 1009268453 /nfs/dbraw/zinc/26/84/53/1009268453.db2.gz LKHAKFKQTSNCKF-QZTJIDSGSA-N 1 0 410.518 3.801 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000543748894 1009327716 /nfs/dbraw/zinc/32/77/16/1009327716.db2.gz HUZMSNOJVYHRCY-LPHOPBHVSA-N 1 0 400.475 3.775 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000543748896 1009328139 /nfs/dbraw/zinc/32/81/39/1009328139.db2.gz HUZMSNOJVYHRCY-VQIMIIECSA-N 1 0 400.475 3.775 20 5 HHBDRO COc1cccc(C2(C[NH2+][C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CCCC2)c1 ZINC000520226596 1009351521 /nfs/dbraw/zinc/35/15/21/1009351521.db2.gz DAKAZYIPZNWNNX-NRFANRHFSA-N 1 0 409.486 3.810 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1 ZINC000520228046 1009352915 /nfs/dbraw/zinc/35/29/15/1009352915.db2.gz QJIAHWHBBVFSON-MRXNPFEDSA-N 1 0 420.473 3.802 20 5 HHBDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000543871068 1009439950 /nfs/dbraw/zinc/43/99/50/1009439950.db2.gz KMWQAHSQGBSUHX-UHFFFAOYSA-N 1 0 415.494 3.505 20 5 HHBDRO COc1ccc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000543891494 1009470156 /nfs/dbraw/zinc/47/01/56/1009470156.db2.gz GHPFCOMXDYVRKM-UHFFFAOYSA-N 1 0 413.478 3.769 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000543891947 1009471180 /nfs/dbraw/zinc/47/11/80/1009471180.db2.gz CFRBHPSRMMNKJF-IBGZPJMESA-N 1 0 416.478 3.817 20 5 HHBDRO C[NH+](C)Cc1cc(-c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)ccc1F ZINC000546455227 1009474721 /nfs/dbraw/zinc/47/47/21/1009474721.db2.gz OYWQAXDQBATFSA-UHFFFAOYSA-N 1 0 408.393 3.698 20 5 HHBDRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000543979662 1009580752 /nfs/dbraw/zinc/58/07/52/1009580752.db2.gz YKCDCYNAZNGSDO-LLVKDONJSA-N 1 0 407.268 3.604 20 5 HHBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000520498213 1009594077 /nfs/dbraw/zinc/59/40/77/1009594077.db2.gz WRKCIHOBWHFITJ-INIZCTEOSA-N 1 0 407.474 3.640 20 5 HHBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544093749 1009702043 /nfs/dbraw/zinc/70/20/43/1009702043.db2.gz MNGRUJBQLSTYOW-UHFFFAOYSA-N 1 0 413.952 3.992 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2ccccc2)c2cc(Cl)ccc2Cl)c1 ZINC000544110441 1009720501 /nfs/dbraw/zinc/72/05/01/1009720501.db2.gz MEXHBMIRHHTGHW-VQIMIIECSA-N 1 0 421.284 3.838 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+]C3(Cc4ccc(F)cc4)CCOCC3)o2)cc1 ZINC000550190740 1009764300 /nfs/dbraw/zinc/76/43/00/1009764300.db2.gz GJQVZCHIZVPRHK-UHFFFAOYSA-N 1 0 412.421 3.665 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000550264970 1009816085 /nfs/dbraw/zinc/81/60/85/1009816085.db2.gz UPZNMFYCLNMHRL-INIZCTEOSA-N 1 0 420.307 3.568 20 5 HHBDRO CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546889800 1009851196 /nfs/dbraw/zinc/85/11/96/1009851196.db2.gz RGFUJIVGGLIYOF-HXUWFJFHSA-N 1 0 406.486 3.742 20 5 HHBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000544272688 1009888569 /nfs/dbraw/zinc/88/85/69/1009888569.db2.gz JSIVEHFWPRWAMI-BBRMVZONSA-N 1 0 409.939 3.816 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2cn(CCOC)nc21 ZINC000546934927 1009894563 /nfs/dbraw/zinc/89/45/63/1009894563.db2.gz FELUNFOFLUQEDI-IAGOWNOFSA-N 1 0 404.536 3.976 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1)CC1CC1 ZINC000544338530 1009963289 /nfs/dbraw/zinc/96/32/89/1009963289.db2.gz RIPMNSAXMUSINX-UHFFFAOYSA-N 1 0 418.538 3.647 20 5 HHBDRO CCc1ccc([C@@H](NC[C@H](C)C[NH+]2CCN(CC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544357274 1009983381 /nfs/dbraw/zinc/98/33/81/1009983381.db2.gz IWAKYWGIJCSSOV-MBSDFSHPSA-N 1 0 414.550 3.703 20 5 HHBDRO CCOc1cc(C[NH2+]C2CCSCC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000520960124 1010006410 /nfs/dbraw/zinc/00/64/10/1010006410.db2.gz JQECKMDPIOGVOI-UHFFFAOYSA-N 1 0 420.535 3.563 20 5 HHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCNc2ccc(-c3ccccc3)nn2)c1 ZINC000520964179 1010008978 /nfs/dbraw/zinc/00/89/78/1010008978.db2.gz KLZGDAZEELMQTR-UHFFFAOYSA-N 1 0 415.400 3.855 20 5 HHBDRO O=[N+]([O-])c1cccc2ncnc(NCCc3ccc(OCC[NH+]4CCCC4)cc3)c21 ZINC000544394538 1010016436 /nfs/dbraw/zinc/01/64/36/1010016436.db2.gz CYGMZIRDUPTCHL-UHFFFAOYSA-N 1 0 407.474 3.667 20 5 HHBDRO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000544422571 1010043191 /nfs/dbraw/zinc/04/31/91/1010043191.db2.gz YKGYHIYIZLSJGQ-KKUMJFAQSA-N 1 0 408.930 3.818 20 5 HHBDRO COc1ccc(NC(=O)[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000521013734 1010050468 /nfs/dbraw/zinc/05/04/68/1010050468.db2.gz VWFKABDBVMKLRP-QFIPXVFZSA-N 1 0 421.453 3.952 20 5 HHBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cnn1-c1ccc(F)cc1 ZINC000544433080 1010057806 /nfs/dbraw/zinc/05/78/06/1010057806.db2.gz MPLVYCZFXZZCQS-QKKBWIMNSA-N 1 0 423.448 3.684 20 5 HHBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000521084082 1010100250 /nfs/dbraw/zinc/10/02/50/1010100250.db2.gz NUFNFZPWZVRECL-CTXDPNEZSA-N 1 0 411.527 3.999 20 5 HHBDRO CCOC(=O)c1cc(-c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)cc([N+](=O)[O-])c1 ZINC000547166286 1010109156 /nfs/dbraw/zinc/10/91/56/1010109156.db2.gz AMPXZHUYOMIRON-UHFFFAOYSA-N 1 0 414.393 3.689 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000550711007 1010119246 /nfs/dbraw/zinc/11/92/46/1010119246.db2.gz OSAZJMHPIUHXOQ-FPOVZHCZSA-N 1 0 418.444 3.545 20 5 HHBDRO COc1ccc(OCC[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000544529075 1010158196 /nfs/dbraw/zinc/15/81/96/1010158196.db2.gz LWMYWQVJTNZYMR-UWJYYQICSA-N 1 0 404.438 3.973 20 5 HHBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1 ZINC000544574088 1010202988 /nfs/dbraw/zinc/20/29/88/1010202988.db2.gz JWNIYOCMMUBUTN-KRWDZBQOSA-N 1 0 414.430 3.711 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)cc1 ZINC000544573902 1010203018 /nfs/dbraw/zinc/20/30/18/1010203018.db2.gz BAMHBVLTTFSYGB-HKUYNNGSSA-N 1 0 408.907 3.948 20 5 HHBDRO COc1ccc2cc([C@@H](C)[NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000544574127 1010203165 /nfs/dbraw/zinc/20/31/65/1010203165.db2.gz KWIRWAONLPDMJC-OAHLLOKOSA-N 1 0 414.483 3.881 20 5 HHBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000521501751 1010416631 /nfs/dbraw/zinc/41/66/31/1010416631.db2.gz ZOIPSUQJLLTJIF-CQSZACIVSA-N 1 0 420.307 3.537 20 5 HHBDRO CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544847800 1010432587 /nfs/dbraw/zinc/43/25/87/1010432587.db2.gz CDJJSBQVDSLSRL-NRFANRHFSA-N 1 0 419.485 3.517 20 5 HHBDRO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000544942875 1010507479 /nfs/dbraw/zinc/50/74/79/1010507479.db2.gz KYLFVMLEGCDCAB-ZDUSSCGKSA-N 1 0 404.854 3.544 20 5 HHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000551410893 1010569246 /nfs/dbraw/zinc/56/92/46/1010569246.db2.gz ILUGYHCWPXWCRD-OXJNMPFZSA-N 1 0 407.474 3.565 20 5 HHBDRO CC1(C)C[N@@H+](C2(CNC(=O)CSc3ccc([N+](=O)[O-])cc3)CCCCC2)CCO1 ZINC000521758015 1010596305 /nfs/dbraw/zinc/59/63/05/1010596305.db2.gz WPNZQIRKVGBVNI-UHFFFAOYSA-N 1 0 421.563 3.617 20 5 HHBDRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000551616369 1010699486 /nfs/dbraw/zinc/69/94/86/1010699486.db2.gz YWPSGRUIWUNOJJ-UZLBHIALSA-N 1 0 406.454 3.774 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000522016514 1010757596 /nfs/dbraw/zinc/75/75/96/1010757596.db2.gz LZGBUBJFMLWSIC-OAQYLSRUSA-N 1 0 413.474 3.569 20 5 HHBDRO CC(C)C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000522054577 1010783020 /nfs/dbraw/zinc/78/30/20/1010783020.db2.gz ABABZMRDPKTZDU-AEFFLSMTSA-N 1 0 405.520 3.639 20 5 HHBDRO CSc1ccc(C(=O)c2ccccc2C(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000522188268 1010855607 /nfs/dbraw/zinc/85/56/07/1010855607.db2.gz YSZGMXOBSPQHDF-UHFFFAOYSA-N 1 0 415.515 3.618 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)[C@H](C)C1 ZINC000522433273 1011008713 /nfs/dbraw/zinc/00/87/13/1011008713.db2.gz QLMDDRGRAKEPSV-WIYYLYMNSA-N 1 0 420.554 3.652 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000522478970 1011037323 /nfs/dbraw/zinc/03/73/23/1011037323.db2.gz WDSDFCJVPRVHTA-OXQOHEQNSA-N 1 0 404.555 3.927 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000522641054 1011130294 /nfs/dbraw/zinc/13/02/94/1011130294.db2.gz MRIQCYIWMOJOJH-INMHGKMJSA-N 1 0 409.914 3.881 20 5 HHBDRO Cc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(O[C@@H]2CCOC2)c1 ZINC000540624612 1011274912 /nfs/dbraw/zinc/27/49/12/1011274912.db2.gz JEAYKEKAUINUKB-OAQYLSRUSA-N 1 0 422.485 3.761 20 5 HHBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000522884167 1011330422 /nfs/dbraw/zinc/33/04/22/1011330422.db2.gz QITDCNCYNCYSIG-NSHDSACASA-N 1 0 414.293 3.547 20 5 HHBDRO C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000522897299 1011342649 /nfs/dbraw/zinc/34/26/49/1011342649.db2.gz AQIDCOCTSDQJAZ-ZDUSSCGKSA-N 1 0 420.872 3.630 20 5 HHBDRO CC1CC[NH+](Cc2ccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000540697538 1011349824 /nfs/dbraw/zinc/34/98/24/1011349824.db2.gz BILJBXSOHPYUAQ-UHFFFAOYSA-N 1 0 417.531 3.811 20 5 HHBDRO C[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540910482 1011580407 /nfs/dbraw/zinc/58/04/07/1011580407.db2.gz FEPDXVTZTRVKMT-IEBWSBKVSA-N 1 0 408.502 3.573 20 5 HHBDRO CCC(CC)(CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccccc1 ZINC000523117878 1011585030 /nfs/dbraw/zinc/58/50/30/1011585030.db2.gz XADMPJPSAZSTDK-INIZCTEOSA-N 1 0 412.490 3.559 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)c([N+](=O)[O-])c1 ZINC000541023609 1011657577 /nfs/dbraw/zinc/65/75/77/1011657577.db2.gz DARCMBLABUOFQS-LSDHHAIUSA-N 1 0 423.473 3.775 20 5 HHBDRO C[NH+](C)Cc1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1F ZINC000536520536 1011712276 /nfs/dbraw/zinc/71/22/76/1011712276.db2.gz UELCGVXDBAVLOB-UHFFFAOYSA-N 1 0 400.454 3.670 20 5 HHBDRO COc1cc(C[N@H+](C)CCC2CCOCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000536659624 1011807377 /nfs/dbraw/zinc/80/73/77/1011807377.db2.gz CWXPLZRJDOHWHQ-UHFFFAOYSA-N 1 0 406.401 3.793 20 5 HHBDRO COc1cc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000536664682 1011814520 /nfs/dbraw/zinc/81/45/20/1011814520.db2.gz VUSZYGPUKAWXBD-LJQANCHMSA-N 1 0 400.475 3.874 20 5 HHBDRO C[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000551816166 1011974147 /nfs/dbraw/zinc/97/41/47/1011974147.db2.gz GTSKKMHNBBHEIT-RCDICMHDSA-N 1 0 408.458 3.671 20 5 HHBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000523484183 1011998894 /nfs/dbraw/zinc/99/88/94/1011998894.db2.gz WLCWTMYFJJWOKE-UHFFFAOYSA-N 1 0 418.291 3.883 20 5 HHBDRO CC(C)(C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000523530621 1012059263 /nfs/dbraw/zinc/05/92/63/1012059263.db2.gz ASIBNEIYUZOCPC-INIZCTEOSA-N 1 0 401.532 3.962 20 5 HHBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1Cl ZINC000536859831 1012094468 /nfs/dbraw/zinc/09/44/68/1012094468.db2.gz WPJAZZJOOAOOKV-NSHDSACASA-N 1 0 418.302 3.531 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000536862823 1012098756 /nfs/dbraw/zinc/09/87/56/1012098756.db2.gz JVZTYGAQJBLOFB-GFCCVEGCSA-N 1 0 403.401 3.588 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000536883712 1012131568 /nfs/dbraw/zinc/13/15/68/1012131568.db2.gz ZTHVZYKUOKMNJE-MRXNPFEDSA-N 1 0 419.485 3.776 20 5 HHBDRO Cn1ccnc1[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552240044 1012249655 /nfs/dbraw/zinc/24/96/55/1012249655.db2.gz OHYFRBJLGKAASQ-QFIPXVFZSA-N 1 0 405.502 3.672 20 5 HHBDRO CCc1ccc([C@@H](NC[C@H]2C[N@H+](CC(C)C)CCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549873 1012335907 /nfs/dbraw/zinc/33/59/07/1012335907.db2.gz KSZQOJAFQPHBEK-UNMCSNQZSA-N 1 0 401.507 3.786 20 5 HHBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000552334357 1012344257 /nfs/dbraw/zinc/34/42/57/1012344257.db2.gz IBVZVGPRUKCTJJ-ZFWWWQNUSA-N 1 0 414.428 3.501 20 5 HHBDRO COc1ccc(OCC[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)c([N+](=O)[O-])c1 ZINC000537041093 1012360434 /nfs/dbraw/zinc/36/04/34/1012360434.db2.gz NWJKFZWBKWDPQR-NRFANRHFSA-N 1 0 402.447 3.740 20 5 HHBDRO CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000537074814 1012417087 /nfs/dbraw/zinc/41/70/87/1012417087.db2.gz WORQILURGVQXJU-HUUCEWRRSA-N 1 0 401.463 3.530 20 5 HHBDRO COCCSc1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000537104029 1012470297 /nfs/dbraw/zinc/47/02/97/1012470297.db2.gz DSIJFSQZGPELPI-OAHLLOKOSA-N 1 0 415.515 3.573 20 5 HHBDRO C[N@H+](CCc1cccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1)C1CC1 ZINC000537126610 1012509219 /nfs/dbraw/zinc/50/92/19/1012509219.db2.gz APSBODJDNDYTEC-UHFFFAOYSA-N 1 0 405.458 3.670 20 5 HHBDRO C[C@H](C(=O)N(CCCc1ccccc1)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000541694390 1012541112 /nfs/dbraw/zinc/54/11/12/1012541112.db2.gz USEGAQCSWVMFFB-KRWDZBQOSA-N 1 0 401.482 3.860 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000537170911 1012574954 /nfs/dbraw/zinc/57/49/54/1012574954.db2.gz DYUJZQSFSHPHJD-GOSISDBHSA-N 1 0 421.563 3.812 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2Br)cc1[N+](=O)[O-] ZINC000537175788 1012583609 /nfs/dbraw/zinc/58/36/09/1012583609.db2.gz AAEHGVHXAUFHAP-AWEZNQCLSA-N 1 0 420.307 3.975 20 5 HHBDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C(C)C)cc1 ZINC000541773931 1012641069 /nfs/dbraw/zinc/64/10/69/1012641069.db2.gz OLKYNENPBWLBKA-OAQYLSRUSA-N 1 0 415.490 3.512 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541787119 1012658220 /nfs/dbraw/zinc/65/82/20/1012658220.db2.gz IFNWERKXFBWSFR-UHFFFAOYSA-N 1 0 404.442 3.776 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000541813928 1012701295 /nfs/dbraw/zinc/70/12/95/1012701295.db2.gz NBOPLARJCAOIOA-KXBFYZLASA-N 1 0 423.560 3.635 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000523978119 1012725216 /nfs/dbraw/zinc/72/52/16/1012725216.db2.gz ZUMWXPWTBHFDSY-HZPDHXFCSA-N 1 0 411.930 3.891 20 5 HHBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)cc1 ZINC000537302275 1012759346 /nfs/dbraw/zinc/75/93/46/1012759346.db2.gz RWQVTWQDTYNQSN-UHFFFAOYSA-N 1 0 417.263 3.916 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000537304269 1012762091 /nfs/dbraw/zinc/76/20/91/1012762091.db2.gz WKUXPEKACCVLAD-PAKAJVGYSA-N 1 0 401.894 3.925 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000541949675 1012811669 /nfs/dbraw/zinc/81/16/69/1012811669.db2.gz UCMMBCBZJRAPSN-MRXNPFEDSA-N 1 0 411.380 3.574 20 5 HHBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000524122232 1012900083 /nfs/dbraw/zinc/90/00/83/1012900083.db2.gz JPNUPPQPHZIYIT-PKOBYXMFSA-N 1 0 417.531 3.577 20 5 HHBDRO NC(=O)[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1Cl ZINC000537432807 1012920676 /nfs/dbraw/zinc/92/06/76/1012920676.db2.gz CKGXJTMCNCZONY-INIZCTEOSA-N 1 0 413.861 3.942 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000542096682 1013027688 /nfs/dbraw/zinc/02/76/88/1013027688.db2.gz ZDCOGSRVLVCXDO-UHFFFAOYSA-N 1 0 407.511 3.586 20 5 HHBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000612115564 1072393428 /nfs/dbraw/zinc/39/34/28/1072393428.db2.gz OOFPLUWTNNORMG-CEMLEFRQSA-N 1 0 408.502 3.695 20 5 HHBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000586827681 1072467415 /nfs/dbraw/zinc/46/74/15/1072467415.db2.gz YSTGXIYFOUPTBI-AJYBTWMASA-N 1 0 414.550 3.776 20 5 HHBDRO Nc1cc(NCCCC[NH+]2CCC(Cc3ccccc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587974274 1072725145 /nfs/dbraw/zinc/72/51/45/1072725145.db2.gz HLTGCLQHNQVOTF-UHFFFAOYSA-N 1 0 412.534 3.816 20 5 HHBDRO Cc1cc(C(C)(C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])ccc1Br ZINC000554958673 1073008763 /nfs/dbraw/zinc/00/87/63/1073008763.db2.gz SSTFZBFZMXYOJQ-HNNXBMFYSA-N 1 0 423.307 3.930 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000588835267 1073296918 /nfs/dbraw/zinc/29/69/18/1073296918.db2.gz OHUWUCPCNNFQKK-OAHLLOKOSA-N 1 0 403.504 3.567 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000589960624 1073405452 /nfs/dbraw/zinc/40/54/52/1073405452.db2.gz MYOWWJMNGXQQIX-QGZVFWFLSA-N 1 0 410.392 3.528 20 5 HHBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(Br)c1 ZINC000590192915 1073639294 /nfs/dbraw/zinc/63/92/94/1073639294.db2.gz IWTOOMXDTHTYIW-RISCZKNCSA-N 1 0 413.243 3.587 20 5 HHBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCc1cnc(SC3CCCC3)nc1)OCCO2 ZINC000590196097 1073644260 /nfs/dbraw/zinc/64/42/60/1073644260.db2.gz BAIDGBIGGFFIGJ-UHFFFAOYSA-N 1 0 416.503 3.523 20 5 HHBDRO COc1cc(C[NH2+]C[C@]2(O)CCC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000555638430 1073692738 /nfs/dbraw/zinc/69/27/38/1073692738.db2.gz UZNBGTAHJAETNO-OPAMFIHVSA-N 1 0 400.475 3.823 20 5 HHBDRO Cn1ccnc1[C@@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000573031440 1074066261 /nfs/dbraw/zinc/06/62/61/1074066261.db2.gz BUGQSYLVGCDDAL-IRLDBZIGSA-N 1 0 405.502 3.672 20 5 HHBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000573366140 1074357506 /nfs/dbraw/zinc/35/75/06/1074357506.db2.gz FSZXYOQJYWHJQF-UHFFFAOYSA-N 1 0 417.453 3.705 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000573726551 1074638899 /nfs/dbraw/zinc/63/88/99/1074638899.db2.gz VBBILYSMAXHLEQ-WBMJQRKESA-N 1 0 414.380 3.856 20 5 HHBDRO NC(=O)c1cccc(NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000573825720 1074651632 /nfs/dbraw/zinc/65/16/32/1074651632.db2.gz SQSHCBCHYIQUMY-INIZCTEOSA-N 1 0 402.882 3.814 20 5 HHBDRO CC1CCN(c2ccc(C(=O)NCC(C)(C)[NH+]3CCCCC3)cc2[N+](=O)[O-])CC1 ZINC000602221861 1075720190 /nfs/dbraw/zinc/72/01/90/1075720190.db2.gz GTNILWQZMBNZKE-UHFFFAOYSA-N 1 0 402.539 3.825 20 5 HHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1 ZINC000328603794 569417043 /nfs/dbraw/zinc/41/70/43/569417043.db2.gz HGHDFDTZWMBGJI-XMSQKQJNSA-N 1 0 405.458 3.636 20 5 HHBDRO O=[N+]([O-])c1cc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)cnc1Cl ZINC001164414780 718879842 /nfs/dbraw/zinc/87/98/42/718879842.db2.gz XDWYPANXEIRBGX-LLVKDONJSA-N 1 0 414.762 3.841 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCC(C4C[NH2+]C4)CC3)c(Cl)nn2)c1 ZINC001164616233 719037909 /nfs/dbraw/zinc/03/79/09/719037909.db2.gz VAWVECSQPZQWAP-UHFFFAOYSA-N 1 0 423.851 3.686 20 5 HHBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164621837 719060027 /nfs/dbraw/zinc/06/00/27/719060027.db2.gz HXXZVUDOAIMSCE-GJZGRUSLSA-N 1 0 419.938 3.861 20 5 HHBDRO Cc1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)cc1[N+](=O)[O-] ZINC001164735933 720416598 /nfs/dbraw/zinc/41/65/98/720416598.db2.gz ZPGMQCQVMMYJGF-RTWAWAEBSA-N 1 0 416.485 3.608 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(Cl)c1[N+](=O)[O-])CC2 ZINC001164844258 720662661 /nfs/dbraw/zinc/66/26/61/720662661.db2.gz ZQFBLCJBUWLXPH-KRWDZBQOSA-N 1 0 416.909 3.903 20 5 HHBDRO Cc1nc(Cl)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1[N+](=O)[O-] ZINC001164791170 721490008 /nfs/dbraw/zinc/49/00/08/721490008.db2.gz BTGGCFCINYJSCP-UHFFFAOYSA-N 1 0 416.913 3.623 20 5 HHBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)CC2 ZINC001164796365 721498140 /nfs/dbraw/zinc/49/81/40/721498140.db2.gz RPDVXJGJAPBSQH-UHFFFAOYSA-N 1 0 406.490 3.747 20 5 HHBDRO O=[N+]([O-])c1cccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)ccc21 ZINC001164911046 721531320 /nfs/dbraw/zinc/53/13/20/721531320.db2.gz VGEXDXZFYKXDSO-WMZOPIPTSA-N 1 0 408.433 3.624 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC001165026009 721805025 /nfs/dbraw/zinc/80/50/25/721805025.db2.gz PWKNTLHAFFHEIA-DKZVUGQWSA-N 1 0 418.501 3.670 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)C[C@@H]21 ZINC001165025287 721816698 /nfs/dbraw/zinc/81/66/98/721816698.db2.gz MEMAMOJSRHPNNA-VDZJLULYSA-N 1 0 406.490 3.603 20 5 HHBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc(Cl)cc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164937289 721921041 /nfs/dbraw/zinc/92/10/41/721921041.db2.gz AVQYXKAEYCJLPS-UHFFFAOYSA-N 1 0 416.909 3.823 20 5 HHBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(C)cc(C)c4[N+](=O)[O-])CC3)C2)cc1 ZINC001164940919 721927543 /nfs/dbraw/zinc/92/75/43/721927543.db2.gz WNHXLMOQUPTRPC-UHFFFAOYSA-N 1 0 410.518 3.786 20 5 HHBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000301406304 970912212 /nfs/dbraw/zinc/91/22/12/970912212.db2.gz LYZOWVCAOSFFMG-OAHLLOKOSA-N 1 0 416.503 3.937 20 5 HHBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000301458552 970939220 /nfs/dbraw/zinc/93/92/20/970939220.db2.gz SYLSYLMKCWZOPT-IBGZPJMESA-N 1 0 422.529 3.932 20 5 HHBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000301521964 970965579 /nfs/dbraw/zinc/96/55/79/970965579.db2.gz HDDNGHIUPIGFOU-UHFFFAOYSA-N 1 0 421.441 3.707 20 5 HHBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301585509 970990467 /nfs/dbraw/zinc/99/04/67/970990467.db2.gz ORWHZGQKMSDULU-IRXDYDNUSA-N 1 0 418.519 3.680 20 5 HHBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301585511 970990930 /nfs/dbraw/zinc/99/09/30/970990930.db2.gz ORWHZGQKMSDULU-SJORKVTESA-N 1 0 418.519 3.680 20 5 HHBDRO CC1CC[NH+]([C@@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c2ccccc2)CC1 ZINC000301710538 971037123 /nfs/dbraw/zinc/03/71/23/971037123.db2.gz XOQUKHGTZYIUNM-FQEVSTJZSA-N 1 0 410.474 3.811 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301813856 971073690 /nfs/dbraw/zinc/07/36/90/971073690.db2.gz ZIUPDDPXYIYYGG-LBPRGKRZSA-N 1 0 406.284 3.785 20 5 HHBDRO C[C@H]1C[NH+](CC2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000301870712 971093234 /nfs/dbraw/zinc/09/32/34/971093234.db2.gz PEIMWEUCPOJBNJ-ROUUACIJSA-N 1 0 410.518 3.982 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1 ZINC000301857567 971087755 /nfs/dbraw/zinc/08/77/55/971087755.db2.gz CLFVLEPKCJFYFE-INIZCTEOSA-N 1 0 417.531 3.985 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000301913803 971113620 /nfs/dbraw/zinc/11/36/20/971113620.db2.gz UNMQKSDJYDFASJ-KRWDZBQOSA-N 1 0 408.502 3.588 20 5 HHBDRO CCc1nn(C)c(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000301920913 971117073 /nfs/dbraw/zinc/11/70/73/971117073.db2.gz JGLRLRUAVXSUJD-UHFFFAOYSA-N 1 0 411.428 3.622 20 5 HHBDRO CCC[C@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301983119 971142208 /nfs/dbraw/zinc/14/22/08/971142208.db2.gz BSWHBQFKVNUGFD-KRWDZBQOSA-N 1 0 407.474 3.735 20 5 HHBDRO CC(C)NC(=O)c1ccc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000302003582 971149815 /nfs/dbraw/zinc/14/98/15/971149815.db2.gz YJSKTXHYGXACAC-SFHVURJKSA-N 1 0 402.539 3.681 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000302035296 971157660 /nfs/dbraw/zinc/15/76/60/971157660.db2.gz JQXKPVDPSLCZDQ-MOPGFXCFSA-N 1 0 414.550 3.922 20 5 HHBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)nc1-c1ccccc1 ZINC000302030077 971156056 /nfs/dbraw/zinc/15/60/56/971156056.db2.gz BNPCZZMTMSDKEU-HXUWFJFHSA-N 1 0 404.470 3.836 20 5 HHBDRO COc1cc(C(=O)N2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)ccc1C ZINC000302063762 971167063 /nfs/dbraw/zinc/16/70/63/971167063.db2.gz AFLLFUIACDZUFQ-UHFFFAOYSA-N 1 0 420.469 3.731 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302071119 971168445 /nfs/dbraw/zinc/16/84/45/971168445.db2.gz YLNPYFOPRLXPKE-RDJZCZTQSA-N 1 0 411.506 3.624 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302071117 971168480 /nfs/dbraw/zinc/16/84/80/971168480.db2.gz YLNPYFOPRLXPKE-DOTOQJQBSA-N 1 0 411.506 3.624 20 5 HHBDRO CC(C)NC(=O)c1ccc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000302073272 971169492 /nfs/dbraw/zinc/16/94/92/971169492.db2.gz VEXPNJVGZXZQJY-ROUUACIJSA-N 1 0 402.539 3.824 20 5 HHBDRO Cc1cc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302137482 971185199 /nfs/dbraw/zinc/18/51/99/971185199.db2.gz DOCTWPCTNLDLAU-MRXNPFEDSA-N 1 0 409.421 3.991 20 5 HHBDRO Cc1cc(N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302186014 971201449 /nfs/dbraw/zinc/20/14/49/971201449.db2.gz PGZODGYIZFCHIO-UHFFFAOYSA-N 1 0 408.433 3.861 20 5 HHBDRO Cc1cc(N2CCN(c3ncnc4ccsc43)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302200021 971205953 /nfs/dbraw/zinc/20/59/53/971205953.db2.gz UURKPIDJZXWXDP-UHFFFAOYSA-N 1 0 406.471 3.783 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000537548145 1013066753 /nfs/dbraw/zinc/06/67/53/1013066753.db2.gz IEIBZNZCVJROOD-QGZVFWFLSA-N 1 0 423.517 3.863 20 5 HHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000302915831 971392740 /nfs/dbraw/zinc/39/27/40/971392740.db2.gz XUMGQIPEAOOTNS-QGZVFWFLSA-N 1 0 407.474 3.566 20 5 HHBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000524276538 1013086799 /nfs/dbraw/zinc/08/67/99/1013086799.db2.gz WAPWBEBHWISSQE-UHFFFAOYSA-N 1 0 410.396 3.521 20 5 HHBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303431548 971713805 /nfs/dbraw/zinc/71/38/05/971713805.db2.gz CGKRWIDCXIKOOT-IHWFROFDSA-N 1 0 423.517 3.502 20 5 HHBDRO O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc2ccccc21 ZINC000303663800 971942665 /nfs/dbraw/zinc/94/26/65/971942665.db2.gz DVMYEIHWPDKSDM-QGZVFWFLSA-N 1 0 405.458 3.658 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303777648 972021801 /nfs/dbraw/zinc/02/18/01/972021801.db2.gz ICIAGPDFKZSCRJ-PKOBYXMFSA-N 1 0 417.531 3.577 20 5 HHBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000553176232 1013137492 /nfs/dbraw/zinc/13/74/92/1013137492.db2.gz VGCFIEVNGQXHNW-CZUORRHYSA-N 1 0 411.452 3.658 20 5 HHBDRO Cc1cccc(C[N@@H+](Cc2ccccn2)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000542211145 1013157676 /nfs/dbraw/zinc/15/76/76/1013157676.db2.gz MJEGBIBYBKBBED-NRFANRHFSA-N 1 0 407.470 3.740 20 5 HHBDRO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000537633685 1013187971 /nfs/dbraw/zinc/18/79/71/1013187971.db2.gz TUWRXFGOEMGZRZ-LJQANCHMSA-N 1 0 406.490 3.538 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000537634251 1013189968 /nfs/dbraw/zinc/18/99/68/1013189968.db2.gz UXYHBTLLOGNBMI-PGRDOPGGSA-N 1 0 403.486 3.631 20 5 HHBDRO CCCCOc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC ZINC000537635810 1013190910 /nfs/dbraw/zinc/19/09/10/1013190910.db2.gz XZWYUUYQTPIYBV-QGZVFWFLSA-N 1 0 400.479 3.864 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC)c1ccsc1 ZINC000542245082 1013203767 /nfs/dbraw/zinc/20/37/67/1013203767.db2.gz WQSAJQKBHDDFAS-QGZVFWFLSA-N 1 0 406.508 3.547 20 5 HHBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(C)(C)C[NH+]1CCOCC1 ZINC000537648207 1013209035 /nfs/dbraw/zinc/20/90/35/1013209035.db2.gz YSKXFGWUEQBTQS-UHFFFAOYSA-N 1 0 404.536 3.509 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000542278506 1013238382 /nfs/dbraw/zinc/23/83/82/1013238382.db2.gz VEVWTOIWOFGXKF-JKSUJKDBSA-N 1 0 417.531 3.549 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)n1 ZINC000553299615 1013256442 /nfs/dbraw/zinc/25/64/42/1013256442.db2.gz MSFBKPOETLPHFB-HZPDHXFCSA-N 1 0 412.490 3.866 20 5 HHBDRO COc1ccc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537709525 1013275968 /nfs/dbraw/zinc/27/59/68/1013275968.db2.gz GVHVIKHWMDKXQF-AZUAARDMSA-N 1 0 400.475 3.775 20 5 HHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000010284160 961784557 /nfs/dbraw/zinc/78/45/57/961784557.db2.gz FQBUKBAMYFPKQN-UHFFFAOYSA-N 1 0 400.435 3.583 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000553357617 1013297179 /nfs/dbraw/zinc/29/71/79/1013297179.db2.gz QAUSKKMETUUWHJ-UHFFFAOYSA-N 1 0 410.518 3.965 20 5 HHBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000011557390 962127209 /nfs/dbraw/zinc/12/72/09/962127209.db2.gz ANKHTGNMRULOIA-UHFFFAOYSA-N 1 0 411.462 3.547 20 5 HHBDRO CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000553409787 1013334958 /nfs/dbraw/zinc/33/49/58/1013334958.db2.gz JHNFKTCFGINUJY-ZDUSSCGKSA-N 1 0 405.476 3.739 20 5 HHBDRO CC1CC[NH+]([C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000014515319 962518816 /nfs/dbraw/zinc/51/88/16/962518816.db2.gz MDMRPXVMKPMGPT-QGZVFWFLSA-N 1 0 418.475 3.768 20 5 HHBDRO CSc1ccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000016002636 962911473 /nfs/dbraw/zinc/91/14/73/962911473.db2.gz HLVKDQVMIBNVBF-UHFFFAOYSA-N 1 0 420.922 3.974 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000018011545 963250662 /nfs/dbraw/zinc/25/06/62/963250662.db2.gz HAKPRQWPLBFGOP-OAQYLSRUSA-N 1 0 424.501 3.745 20 5 HHBDRO COc1cc(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000542531820 1013475296 /nfs/dbraw/zinc/47/52/96/1013475296.db2.gz MTBXRORFNQRPCS-KGLIPLIRSA-N 1 0 413.465 3.947 20 5 HHBDRO C[NH+]1CCC(Oc2ccc(CNc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)cc2)CC1 ZINC000553589769 1013484879 /nfs/dbraw/zinc/48/48/79/1013484879.db2.gz QAHFPOUVZVWKNO-UHFFFAOYSA-N 1 0 410.474 3.565 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccsc1 ZINC000050561564 964354160 /nfs/dbraw/zinc/35/41/60/964354160.db2.gz WEYGIVAUMWQFNE-MRXNPFEDSA-N 1 0 402.501 3.813 20 5 HHBDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1F ZINC000542551593 1013494699 /nfs/dbraw/zinc/49/46/99/1013494699.db2.gz SGAWAWGMSTVTHX-CYBMUJFWSA-N 1 0 409.408 3.706 20 5 HHBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000051054561 964453530 /nfs/dbraw/zinc/45/35/30/964453530.db2.gz KTMTULRGUXVBHW-YQQAZPJKSA-N 1 0 415.494 3.723 20 5 HHBDRO C[N@H+](CCOc1ccc(Br)cc1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026226963 964493847 /nfs/dbraw/zinc/49/38/47/964493847.db2.gz NSQLXFSWAOTBPO-UHFFFAOYSA-N 1 0 422.279 3.697 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000537918907 1013503635 /nfs/dbraw/zinc/50/36/35/1013503635.db2.gz VTODQYKWTAUVIY-INIZCTEOSA-N 1 0 403.504 3.539 20 5 HHBDRO COc1ccc(NC(=O)[C@H]([NH2+]CCNc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000027041405 964759216 /nfs/dbraw/zinc/75/92/16/964759216.db2.gz NNPJVCKRNHLHRB-JOCHJYFZSA-N 1 0 420.469 3.985 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000537942092 1013525905 /nfs/dbraw/zinc/52/59/05/1013525905.db2.gz OPYJOCZEHCGWOU-XMLVGPMBSA-N 1 0 403.429 3.756 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000537949410 1013531965 /nfs/dbraw/zinc/53/19/65/1013531965.db2.gz DWDKWGZTJPUSKK-VAMGGRTRSA-N 1 0 415.559 3.691 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052244397 964848745 /nfs/dbraw/zinc/84/87/45/964848745.db2.gz IKYDFVFEZDOUOE-MRXNPFEDSA-N 1 0 417.531 3.842 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000052866219 965006058 /nfs/dbraw/zinc/00/60/58/965006058.db2.gz LKHVWTMCZQQZSW-IBGZPJMESA-N 1 0 413.474 3.613 20 5 HHBDRO CC(C)C[NH+]1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000052960282 965031835 /nfs/dbraw/zinc/03/18/35/965031835.db2.gz NFQZMJBOXJJSGQ-KRWDZBQOSA-N 1 0 411.506 3.577 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000053137093 965069396 /nfs/dbraw/zinc/06/93/96/965069396.db2.gz ISIFYEKYXFKGJM-UHFFFAOYSA-N 1 0 405.401 3.875 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[NH+]2CCCC2)cc1 ZINC000053250218 965104026 /nfs/dbraw/zinc/10/40/26/965104026.db2.gz VKVYVWNSPFCPFU-LJQANCHMSA-N 1 0 414.462 3.571 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000537972994 1013550153 /nfs/dbraw/zinc/55/01/53/1013550153.db2.gz NCAHKJOLOGCSQL-ZDUSSCGKSA-N 1 0 419.865 3.569 20 5 HHBDRO CC(C)NC(=O)c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000028749743 965176222 /nfs/dbraw/zinc/17/62/22/965176222.db2.gz GDSLWZTWQZVEBM-IBGZPJMESA-N 1 0 400.479 3.965 20 5 HHBDRO CC1CC[NH+]([C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000028834200 965194212 /nfs/dbraw/zinc/19/42/12/965194212.db2.gz MHQAAIPERAXVOK-SFHVURJKSA-N 1 0 403.504 3.625 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[NH+]2CCCCC2)cc1 ZINC000054123731 965391326 /nfs/dbraw/zinc/39/13/26/965391326.db2.gz GMJHHTVETZOBEN-HXUWFJFHSA-N 1 0 401.438 3.700 20 5 HHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000054226454 965434294 /nfs/dbraw/zinc/43/42/94/965434294.db2.gz OMUCEIXHPBMBON-PXNSSMCTSA-N 1 0 408.502 3.760 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1)CC(C)C ZINC000538032019 1013603583 /nfs/dbraw/zinc/60/35/83/1013603583.db2.gz BZIYXIBXKXMLLS-UHFFFAOYSA-N 1 0 421.538 3.832 20 5 HHBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000553774328 1013604569 /nfs/dbraw/zinc/60/45/69/1013604569.db2.gz IPGRXUOIZXLRBB-RMJJICAUSA-N 1 0 414.550 3.776 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000542692097 1013610566 /nfs/dbraw/zinc/61/05/66/1013610566.db2.gz YNJPNXAYMQGUEB-SFHVURJKSA-N 1 0 404.463 3.733 20 5 HHBDRO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000055752669 966049452 /nfs/dbraw/zinc/04/94/52/966049452.db2.gz LKDFKPPQRJJISF-IBGZPJMESA-N 1 0 401.438 3.700 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000055870061 966111200 /nfs/dbraw/zinc/11/12/00/966111200.db2.gz OATYAWNRAXAXSJ-IRXDYDNUSA-N 1 0 412.490 3.563 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000056154196 966236796 /nfs/dbraw/zinc/23/67/96/966236796.db2.gz MZLROVHWPXFIGZ-ZIAGYGMSSA-N 1 0 417.462 3.607 20 5 HHBDRO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056441132 966336661 /nfs/dbraw/zinc/33/66/61/966336661.db2.gz GLUOMAIBDKWFRZ-OAHLLOKOSA-N 1 0 400.454 3.759 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000056459956 966345615 /nfs/dbraw/zinc/34/56/15/966345615.db2.gz OUAGIQUKTORYQB-UHFFFAOYSA-N 1 0 402.882 3.712 20 5 HHBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000041400610 966557225 /nfs/dbraw/zinc/55/72/25/966557225.db2.gz RWTHXQYJAHWJMJ-SFHVURJKSA-N 1 0 403.866 3.580 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000553867799 1013666710 /nfs/dbraw/zinc/66/67/10/1013666710.db2.gz YHJJBWRCTJUTBF-LBPRGKRZSA-N 1 0 410.312 3.612 20 5 HHBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063093935 966751778 /nfs/dbraw/zinc/75/17/78/966751778.db2.gz LRMDZCQLDMKUAI-UHFFFAOYSA-N 1 0 414.550 3.923 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000542775335 1013676845 /nfs/dbraw/zinc/67/68/45/1013676845.db2.gz WEXRODSNNXPAMG-HNNXBMFYSA-N 1 0 410.257 3.805 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000538119340 1013681084 /nfs/dbraw/zinc/68/10/84/1013681084.db2.gz FPKZAIAZGFRPSX-LBPRGKRZSA-N 1 0 409.389 3.884 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)cc2[N+](=O)[O-])CC1 ZINC000063726582 966940683 /nfs/dbraw/zinc/94/06/83/966940683.db2.gz RNIUVBQXIOANBK-UHFFFAOYSA-N 1 0 402.539 3.778 20 5 HHBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745504 966945409 /nfs/dbraw/zinc/94/54/09/966945409.db2.gz ZBOIBUKGZWWPOQ-UHFFFAOYSA-N 1 0 411.506 3.509 20 5 HHBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000063865338 966982150 /nfs/dbraw/zinc/98/21/50/966982150.db2.gz ABCXWBOOILIBNX-CQSZACIVSA-N 1 0 420.560 3.973 20 5 HHBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000538131351 1013693216 /nfs/dbraw/zinc/69/32/16/1013693216.db2.gz GLACSMUSBRXTAZ-UHFFFAOYSA-N 1 0 421.544 3.561 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000064420233 967180590 /nfs/dbraw/zinc/18/05/90/967180590.db2.gz LFDKJOZDQMGXIA-OAHLLOKOSA-N 1 0 417.893 3.580 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000064725889 967276604 /nfs/dbraw/zinc/27/66/04/967276604.db2.gz UJVVXDXAWISVCE-ZIFCJYIRSA-N 1 0 400.523 3.672 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000044951848 967317992 /nfs/dbraw/zinc/31/79/92/967317992.db2.gz WBVCBMFXFSFUIE-UHFFFAOYSA-N 1 0 404.426 3.745 20 5 HHBDRO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000538175394 1013734005 /nfs/dbraw/zinc/73/40/05/1013734005.db2.gz QSBGHCCXBWLYCQ-HXUWFJFHSA-N 1 0 410.474 3.691 20 5 HHBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000538186419 1013743948 /nfs/dbraw/zinc/74/39/48/1013743948.db2.gz MYDVWDUENFHAGV-INIZCTEOSA-N 1 0 406.442 3.972 20 5 HHBDRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000047262022 968109289 /nfs/dbraw/zinc/10/92/89/968109289.db2.gz VUKVKICPGXNPKN-UHFFFAOYSA-N 1 0 419.279 3.603 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000048119915 968438397 /nfs/dbraw/zinc/43/83/97/968438397.db2.gz NKPPQTJLYSFVNV-UHFFFAOYSA-N 1 0 413.474 3.998 20 5 HHBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[C@H](C)C1 ZINC000554129106 1013812474 /nfs/dbraw/zinc/81/24/74/1013812474.db2.gz YYWAKLWYBIAKTE-DBXWQHBBSA-N 1 0 414.550 3.633 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000065868545 968690157 /nfs/dbraw/zinc/69/01/57/968690157.db2.gz LKHAKFKQTSNCKF-ROUUACIJSA-N 1 0 410.518 3.801 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000065936963 968725692 /nfs/dbraw/zinc/72/56/92/968725692.db2.gz QLPUKIPALDTRAR-UHFFFAOYSA-N 1 0 400.866 3.934 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000065937287 968725791 /nfs/dbraw/zinc/72/57/91/968725791.db2.gz QFHGEXCSYRNZIK-UHFFFAOYSA-N 1 0 418.444 3.651 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000065939079 968730311 /nfs/dbraw/zinc/73/03/11/968730311.db2.gz LIWZPGCFWZTWDD-UHFFFAOYSA-N 1 0 400.454 3.512 20 5 HHBDRO COc1ccc(NC(=O)CC[NH+]2CCC(N(C)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000065957240 968737297 /nfs/dbraw/zinc/73/72/97/968737297.db2.gz FRSSBEGYSJBLKY-UHFFFAOYSA-N 1 0 412.490 3.533 20 5 HHBDRO COc1cc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c([N+](=O)[O-])cc1OC ZINC000068977380 968802703 /nfs/dbraw/zinc/80/27/03/968802703.db2.gz IEEBMUNTAMOAOP-UHFFFAOYSA-N 1 0 405.495 3.531 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[NH+](C)C)c1 ZINC000069366720 968831071 /nfs/dbraw/zinc/83/10/71/968831071.db2.gz NPQRFCNTUNCMKX-AUUYWEPGSA-N 1 0 403.504 3.503 20 5 HHBDRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000071892044 968882581 /nfs/dbraw/zinc/88/25/81/968882581.db2.gz UZYKDEJBVKLQEB-GOSISDBHSA-N 1 0 413.865 3.691 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000071954859 968907492 /nfs/dbraw/zinc/90/74/92/968907492.db2.gz FWYSOYZJAULVGH-HNNXBMFYSA-N 1 0 407.474 3.675 20 5 HHBDRO COC(=O)c1cc(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc([N+](=O)[O-])c1 ZINC000071961545 968912169 /nfs/dbraw/zinc/91/21/69/968912169.db2.gz MUZKTDMYEQHWAW-UHFFFAOYSA-N 1 0 411.458 3.866 20 5 HHBDRO CC(C)C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH2+][C@H](C)c1ccccc1 ZINC000554181258 1013840691 /nfs/dbraw/zinc/84/06/91/1013840691.db2.gz CIKLCUZPDIWKKZ-WBVHZDCISA-N 1 0 409.490 3.966 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000072109463 968992490 /nfs/dbraw/zinc/99/24/90/968992490.db2.gz IFMFGGVPOVHUEE-LJQANCHMSA-N 1 0 403.866 3.824 20 5 HHBDRO C[N@@H+]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000097617287 969178495 /nfs/dbraw/zinc/17/84/95/969178495.db2.gz YENFAKUICRYFDQ-UHFFFAOYSA-N 1 0 402.882 3.638 20 5 HHBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 ZINC000105713249 969257909 /nfs/dbraw/zinc/25/79/09/969257909.db2.gz QSEVKPRHBZEUGO-UHFFFAOYSA-N 1 0 423.473 3.753 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NC[C@H](C)[N@H+](C)C3CC3)cc2[N+](=O)[O-])n1 ZINC000110655572 969701968 /nfs/dbraw/zinc/70/19/68/969701968.db2.gz VVKWYRRRCQXGKZ-LBPRGKRZSA-N 1 0 406.533 3.723 20 5 HHBDRO CCC[NH+]1CCC(CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000116360613 969888707 /nfs/dbraw/zinc/88/87/07/969888707.db2.gz UCBVRNXXQAYQJO-KRWDZBQOSA-N 1 0 402.539 3.683 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)s1 ZINC000195632380 969920670 /nfs/dbraw/zinc/92/06/70/969920670.db2.gz NQUOGEISDBRSCF-UHFFFAOYSA-N 1 0 400.548 3.537 20 5 HHBDRO COc1ccc(CC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000554411944 1013938636 /nfs/dbraw/zinc/93/86/36/1013938636.db2.gz MHAOXWGLBZEMEU-UHFFFAOYSA-N 1 0 423.513 3.661 20 5 HHBDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Br ZINC000216016832 970060266 /nfs/dbraw/zinc/06/02/66/970060266.db2.gz CVKQFWLTEAMFOK-LBPRGKRZSA-N 1 0 422.279 3.964 20 5 HHBDRO C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000140190291 970066735 /nfs/dbraw/zinc/06/67/35/970066735.db2.gz RVXBQRYBJWQZFX-OAHLLOKOSA-N 1 0 417.893 3.913 20 5 HHBDRO C[N@H+](Cc1ccccc1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000218461942 970085623 /nfs/dbraw/zinc/08/56/23/970085623.db2.gz KWVOEQIJSKSFME-UHFFFAOYSA-N 1 0 424.501 3.728 20 5 HHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000228267201 970123714 /nfs/dbraw/zinc/12/37/14/970123714.db2.gz SLEYHOXJRZLOQE-UXHICEINSA-N 1 0 409.534 3.585 20 5 HHBDRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000236681960 970154879 /nfs/dbraw/zinc/15/48/79/970154879.db2.gz BIGNJOPOKVHMTR-ZBFHGGJFSA-N 1 0 402.520 3.891 20 5 HHBDRO CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000236689999 970156211 /nfs/dbraw/zinc/15/62/11/970156211.db2.gz BIGNJOPOKVHMTR-HOCLYGCPSA-N 1 0 402.520 3.891 20 5 HHBDRO COc1cc(C[NH2+]Cc2cccc(C(N)=O)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237109416 970223872 /nfs/dbraw/zinc/22/38/72/970223872.db2.gz YADUPNDKLYBBTL-UHFFFAOYSA-N 1 0 421.453 3.571 20 5 HHBDRO COCCN1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000237124874 970227196 /nfs/dbraw/zinc/22/71/96/970227196.db2.gz IKZWPKSCAMLEEK-UHFFFAOYSA-N 1 0 403.454 3.727 20 5 HHBDRO COc1cc(C[NH2+]CC2(O)CCCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237133338 970228524 /nfs/dbraw/zinc/22/85/24/970228524.db2.gz KNUKFESTEQSICV-UHFFFAOYSA-N 1 0 400.475 3.967 20 5 HHBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000237258292 970250184 /nfs/dbraw/zinc/25/01/84/970250184.db2.gz RSSMNHYNMUBBLN-ZDUSSCGKSA-N 1 0 406.533 3.583 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237376541 970273640 /nfs/dbraw/zinc/27/36/40/970273640.db2.gz YROIFXFXTVYHCH-APWZRJJASA-N 1 0 411.502 3.897 20 5 HHBDRO COc1cc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)c([N+](=O)[O-])cc1OC ZINC000237394444 970276313 /nfs/dbraw/zinc/27/63/13/970276313.db2.gz FAIDBRKMJSGEAV-UHFFFAOYSA-N 1 0 414.487 3.853 20 5 HHBDRO Cc1ccc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000237735400 970350229 /nfs/dbraw/zinc/35/02/29/970350229.db2.gz LLEOSVXYPNBZQF-UHFFFAOYSA-N 1 0 406.280 3.575 20 5 HHBDRO Cn1cc(C[NH2+]C[C@H](c2cccs2)N2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237763579 970358311 /nfs/dbraw/zinc/35/83/11/970358311.db2.gz XHDQIABDYBPJIC-LJQANCHMSA-N 1 0 411.531 3.984 20 5 HHBDRO Cc1ccoc1C(=O)NCCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237764965 970359614 /nfs/dbraw/zinc/35/96/14/970359614.db2.gz WLQPUUWNIDUJCM-UHFFFAOYSA-N 1 0 400.460 3.529 20 5 HHBDRO C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000148858395 970373732 /nfs/dbraw/zinc/37/37/32/970373732.db2.gz YLFUQQJDDDQYNE-JKSUJKDBSA-N 1 0 402.520 3.929 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2nnc3n2CCC3)ccc1Oc1ccccc1Cl ZINC000237932731 970397837 /nfs/dbraw/zinc/39/78/37/970397837.db2.gz DDUXGTSVZRHEFT-UHFFFAOYSA-N 1 0 413.865 3.911 20 5 HHBDRO O=C1C[C@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000237933882 970398104 /nfs/dbraw/zinc/39/81/04/970398104.db2.gz PZWOVEAJNBLMLC-AWEZNQCLSA-N 1 0 401.850 3.893 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000238011949 970418738 /nfs/dbraw/zinc/41/87/38/970418738.db2.gz NNPVKNXIGJYRKF-LJQANCHMSA-N 1 0 414.469 3.818 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCC1 ZINC000248183396 970519356 /nfs/dbraw/zinc/51/93/56/970519356.db2.gz FTYACOWCZCFTHF-GOSISDBHSA-N 1 0 403.866 3.824 20 5 HHBDRO CC(C)Oc1ccc([C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000554686051 1014012424 /nfs/dbraw/zinc/01/24/24/1014012424.db2.gz VRGDEVVKCKZPHM-HXUWFJFHSA-N 1 0 411.462 3.746 20 5 HHBDRO COc1cccc(C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C2CCC(O)CC2)c1 ZINC000261397482 970650583 /nfs/dbraw/zinc/65/05/83/970650583.db2.gz NYEWCANQAGSVNC-UHFFFAOYSA-N 1 0 400.475 3.918 20 5 HHBDRO O=C(c1cc(NCC2([NH+]3CCSCC3)CCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301084197 970740305 /nfs/dbraw/zinc/74/03/05/970740305.db2.gz GKWZEGDFPQKULD-UHFFFAOYSA-N 1 0 418.563 3.604 20 5 HHBDRO COc1cccc(C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000410034442 973512753 /nfs/dbraw/zinc/51/27/53/973512753.db2.gz PYFCHVREKQJTPG-LJQANCHMSA-N 1 0 413.474 3.613 20 5 HHBDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000410056439 973540702 /nfs/dbraw/zinc/54/07/02/973540702.db2.gz YSRFDGHYHYYZSI-OAQYLSRUSA-N 1 0 411.502 3.563 20 5 HHBDRO CC1CC[NH+]([C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000410158803 973649520 /nfs/dbraw/zinc/64/95/20/973649520.db2.gz SJHANYSDHWOHJC-SFHVURJKSA-N 1 0 402.520 3.929 20 5 HHBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000425953076 974057783 /nfs/dbraw/zinc/05/77/83/974057783.db2.gz JFCPMHYCWHEZPP-AWEZNQCLSA-N 1 0 416.444 3.781 20 5 HHBDRO COc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OCc1cccnc1 ZINC000426000071 974115112 /nfs/dbraw/zinc/11/51/12/974115112.db2.gz QWVRAGLSFGJRJS-UHFFFAOYSA-N 1 0 423.473 3.611 20 5 HHBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426245240 974339941 /nfs/dbraw/zinc/33/99/41/974339941.db2.gz LTCOTARWXOHIOJ-ZDUSSCGKSA-N 1 0 402.417 3.677 20 5 HHBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000426265431 974357376 /nfs/dbraw/zinc/35/73/76/974357376.db2.gz GZXYNTKEONKFCR-UHFFFAOYSA-N 1 0 414.428 3.774 20 5 HHBDRO C[NH+](C)CCC1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000426436016 974447557 /nfs/dbraw/zinc/44/75/57/974447557.db2.gz GPNNSHIJVMHYFN-UHFFFAOYSA-N 1 0 411.502 3.978 20 5 HHBDRO CSc1ccc(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000427296270 975032997 /nfs/dbraw/zinc/03/29/97/975032997.db2.gz NLFAOPRNRQJDEP-HZPDHXFCSA-N 1 0 421.563 3.668 20 5 HHBDRO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427579388 975196844 /nfs/dbraw/zinc/19/68/44/975196844.db2.gz KPLPVKUTEYTDPW-UHFFFAOYSA-N 1 0 411.527 3.948 20 5 HHBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccccc1 ZINC000428036644 975399128 /nfs/dbraw/zinc/39/91/28/975399128.db2.gz XGBOBQCJXFKFGH-MRXNPFEDSA-N 1 0 422.485 3.767 20 5 HHBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000428457617 975762188 /nfs/dbraw/zinc/76/21/88/975762188.db2.gz KDFSCOZKACNFGO-RBUKOAKNSA-N 1 0 414.506 3.952 20 5 HHBDRO C[C@H]1CN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000428462226 975764841 /nfs/dbraw/zinc/76/48/41/975764841.db2.gz QEPHPMASMNGYPK-HNNXBMFYSA-N 1 0 405.882 3.539 20 5 HHBDRO Cc1ccc(C[N@@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1[N+](=O)[O-] ZINC000428477577 975776898 /nfs/dbraw/zinc/77/68/98/975776898.db2.gz UUCQVSYBJNUQNB-MRXNPFEDSA-N 1 0 403.504 3.636 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000428547190 975854579 /nfs/dbraw/zinc/85/45/79/975854579.db2.gz YFXZXAIRCQQYCO-IMMZDGJCSA-N 1 0 405.292 3.811 20 5 HHBDRO COc1cc(C[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000428568089 975879308 /nfs/dbraw/zinc/87/93/08/975879308.db2.gz CQJMXMRJFAELPD-YADHBBJMSA-N 1 0 418.465 3.615 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-])c1ccccn1 ZINC000428712516 976002494 /nfs/dbraw/zinc/00/24/94/976002494.db2.gz NJKGTOVWJUFTSB-MDKPJZGXSA-N 1 0 423.517 3.719 20 5 HHBDRO COC(=O)[C@]1(c2ccccc2)CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000428775074 976046887 /nfs/dbraw/zinc/04/68/87/976046887.db2.gz WYFYCQUMUCNNDZ-IVZQSRNASA-N 1 0 422.441 3.523 20 5 HHBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000428775075 976047376 /nfs/dbraw/zinc/04/73/76/976047376.db2.gz WYFYCQUMUCNNDZ-NYHFZMIOSA-N 1 0 422.441 3.523 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429126721 976411419 /nfs/dbraw/zinc/41/14/19/976411419.db2.gz IGIQHVWHHKUNGL-RDJZCZTQSA-N 1 0 408.907 3.855 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000429220284 976514065 /nfs/dbraw/zinc/51/40/65/976514065.db2.gz NGDIAXYFEBEXOZ-IRXDYDNUSA-N 1 0 404.511 3.646 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429348970 976612463 /nfs/dbraw/zinc/61/24/63/976612463.db2.gz LTILPGDXBWAEJX-FQEVSTJZSA-N 1 0 411.502 3.541 20 5 HHBDRO COc1cc(CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000429360700 976628793 /nfs/dbraw/zinc/62/87/93/976628793.db2.gz BJOFZFQIEZJRKE-CQSZACIVSA-N 1 0 413.465 3.554 20 5 HHBDRO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C12CCCCC2 ZINC000429795049 977072846 /nfs/dbraw/zinc/07/28/46/977072846.db2.gz YJWWEEGVAMFTGU-RTBURBONSA-N 1 0 405.495 3.650 20 5 HHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000429870598 977145235 /nfs/dbraw/zinc/14/52/35/977145235.db2.gz JBVJLVLHYKTHST-XJKSGUPXSA-N 1 0 418.291 3.923 20 5 HHBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000430050615 977297786 /nfs/dbraw/zinc/29/77/86/977297786.db2.gz KJUGFMCXKRVHGS-UHFFFAOYSA-N 1 0 408.252 3.550 20 5 HHBDRO C[N@@H+]1CC[C@]2(CCN(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000430124621 977332570 /nfs/dbraw/zinc/33/25/70/977332570.db2.gz AUPAXXBOOMVMRV-DEOSSOPVSA-N 1 0 417.513 3.975 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000430236247 977409511 /nfs/dbraw/zinc/40/95/11/977409511.db2.gz GHCHLSGLJHUVQA-AWEZNQCLSA-N 1 0 404.854 3.503 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000430653217 977669349 /nfs/dbraw/zinc/66/93/49/977669349.db2.gz OWMLFLZSJGDYFO-PKOBYXMFSA-N 1 0 419.485 3.563 20 5 HHBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431023568 977961405 /nfs/dbraw/zinc/96/14/05/977961405.db2.gz RQRJFCPKTOANHW-ZDUSSCGKSA-N 1 0 412.328 3.988 20 5 HHBDRO Cc1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(OCC[NH+](C)C)c1 ZINC000431194004 978086638 /nfs/dbraw/zinc/08/66/38/978086638.db2.gz RKZFOLQWNNJRCH-UHFFFAOYSA-N 1 0 400.479 3.900 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000431920057 978601338 /nfs/dbraw/zinc/60/13/38/978601338.db2.gz SENJBFUHIMYOTK-MRXNPFEDSA-N 1 0 422.279 3.826 20 5 HHBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1O2 ZINC000431956034 978617847 /nfs/dbraw/zinc/61/78/47/978617847.db2.gz AUEWTKXEYONOJN-IBGZPJMESA-N 1 0 423.513 3.977 20 5 HHBDRO COc1cc2c(cc1OC)C[N@H+](CCNc1ccnc3c1cccc3[N+](=O)[O-])CC2 ZINC000432337293 978766940 /nfs/dbraw/zinc/76/69/40/978766940.db2.gz AVZWPASYEHFQCO-UHFFFAOYSA-N 1 0 408.458 3.630 20 5 HHBDRO O=C(C[NH2+][C@H](c1ccccc1)C1(CO)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000433304722 979226017 /nfs/dbraw/zinc/22/60/17/979226017.db2.gz OEKPBPUUKVMTRD-LJQANCHMSA-N 1 0 403.866 3.680 20 5 HHBDRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)CC1 ZINC000433586786 979405717 /nfs/dbraw/zinc/40/57/17/979405717.db2.gz VSUPIXSFSFZSKI-UHFFFAOYSA-N 1 0 416.566 3.523 20 5 HHBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000434323601 980087351 /nfs/dbraw/zinc/08/73/51/980087351.db2.gz KOXSBMVBCDGCGY-HXUWFJFHSA-N 1 0 419.485 3.728 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000434420644 980161078 /nfs/dbraw/zinc/16/10/78/980161078.db2.gz HLMWHSNCIOMTJX-APWZRJJASA-N 1 0 423.517 3.910 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000434675948 980333362 /nfs/dbraw/zinc/33/33/62/980333362.db2.gz OFWFUDPTHKTHNX-UHFFFAOYSA-N 1 0 413.449 3.966 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000434909737 980486397 /nfs/dbraw/zinc/48/63/97/980486397.db2.gz PTAOBJJWTUXCLE-UHFFFAOYSA-N 1 0 405.495 3.603 20 5 HHBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000435285914 980760432 /nfs/dbraw/zinc/76/04/32/980760432.db2.gz BCTIOPVBCXNCHE-ZWKOTPCHSA-N 1 0 414.458 3.614 20 5 HHBDRO Cc1c(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435325324 980783856 /nfs/dbraw/zinc/78/38/56/980783856.db2.gz ZNDPPDSCIRZFKY-UHFFFAOYSA-N 1 0 409.284 3.534 20 5 HHBDRO COc1ccc(C[NH2+]CC2([S@](C)=O)CCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435727800 981004915 /nfs/dbraw/zinc/00/49/15/981004915.db2.gz FYXHGCAAYPEHNQ-LJAQVGFWSA-N 1 0 418.515 3.573 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000435838714 981054569 /nfs/dbraw/zinc/05/45/69/981054569.db2.gz ZDOCNNWGAPMURN-CQSZACIVSA-N 1 0 413.468 3.954 20 5 HHBDRO C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[N@@H+]1CCC[C@H](C)C1 ZINC000436113452 981206497 /nfs/dbraw/zinc/20/64/97/981206497.db2.gz YYFXHKKLVPRHMF-KBPBESRZSA-N 1 0 413.468 3.810 20 5 HHBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436125817 981210538 /nfs/dbraw/zinc/21/05/38/981210538.db2.gz DDAJPPFCSABVRB-XHSDSOJGSA-N 1 0 409.505 3.917 20 5 HHBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1Sc1nnc([C@H]2CCC[NH2+]C2)n1C1CC1 ZINC000436396324 981347280 /nfs/dbraw/zinc/34/72/80/981347280.db2.gz ZHLFNEGXDAIPBH-VIFPVBQESA-N 1 0 414.413 3.553 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000437122046 981775481 /nfs/dbraw/zinc/77/54/81/981775481.db2.gz HCGYLVLPJUEWBN-GOSISDBHSA-N 1 0 404.474 3.839 20 5 HHBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000437366888 982013917 /nfs/dbraw/zinc/01/39/17/982013917.db2.gz YAHRFAHTXFTMDA-UHFFFAOYSA-N 1 0 417.428 3.577 20 5 HHBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460242642 982020373 /nfs/dbraw/zinc/02/03/73/982020373.db2.gz FHAFWNCKAPRNIS-FQEVSTJZSA-N 1 0 406.490 3.584 20 5 HHBDRO C[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000437472902 982101763 /nfs/dbraw/zinc/10/17/63/982101763.db2.gz KPCZWWKOIWWBJL-LJQANCHMSA-N 1 0 410.518 3.910 20 5 HHBDRO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437488013 982115604 /nfs/dbraw/zinc/11/56/04/982115604.db2.gz VPOHVMBUFBZTLF-UHFFFAOYSA-N 1 0 411.527 3.948 20 5 HHBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437673642 982288138 /nfs/dbraw/zinc/28/81/38/982288138.db2.gz LCGJWXMLQMLWIU-UHFFFAOYSA-N 1 0 408.502 3.933 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000437731268 982323650 /nfs/dbraw/zinc/32/36/50/982323650.db2.gz CHOHIVKVFCNSLG-UHFFFAOYSA-N 1 0 410.474 3.509 20 5 HHBDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(C)C)[C@H](C)C1 ZINC000460603328 982384618 /nfs/dbraw/zinc/38/46/18/982384618.db2.gz DYABKZWETKOCIC-VQIMIIECSA-N 1 0 400.527 3.676 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1SC ZINC000437851618 982409481 /nfs/dbraw/zinc/40/94/81/982409481.db2.gz OTXNVTGIPLRWJB-OAHLLOKOSA-N 1 0 407.536 3.852 20 5 HHBDRO CC[NH+](CC)CCN(C(=O)c1ccc([N+](=O)[O-])n1C)c1cccc(C(F)(F)F)c1 ZINC000461098490 982791568 /nfs/dbraw/zinc/79/15/68/982791568.db2.gz AGPJOTBELBGBFP-UHFFFAOYSA-N 1 0 412.412 3.941 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000438551361 982891939 /nfs/dbraw/zinc/89/19/39/982891939.db2.gz GFBIBGNTQXUIBB-UHFFFAOYSA-N 1 0 402.539 3.674 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)cc2[N+](=O)[O-])CC1 ZINC000461260709 982966406 /nfs/dbraw/zinc/96/64/06/982966406.db2.gz HAVHZOYCMPSPPJ-LJQANCHMSA-N 1 0 402.539 3.778 20 5 HHBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000438711683 983020317 /nfs/dbraw/zinc/02/03/17/983020317.db2.gz NXOHDEJDYXJRBK-UHFFFAOYSA-N 1 0 401.894 3.914 20 5 HHBDRO Cc1ccc(C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCc3ccccc32)cc1 ZINC000438752339 983045502 /nfs/dbraw/zinc/04/55/02/983045502.db2.gz GBNYIQPFTGQKAQ-GGAORHGYSA-N 1 0 406.486 3.650 20 5 HHBDRO Cc1ccc(C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCc3ccccc32)cc1 ZINC000438752341 983045592 /nfs/dbraw/zinc/04/55/92/983045592.db2.gz GBNYIQPFTGQKAQ-GMAHTHKFSA-N 1 0 406.486 3.650 20 5 HHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000438817872 983091755 /nfs/dbraw/zinc/09/17/55/983091755.db2.gz HEXRGZBFQDUYTJ-MRXNPFEDSA-N 1 0 406.866 3.531 20 5 HHBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461428753 983091972 /nfs/dbraw/zinc/09/19/72/983091972.db2.gz NADIHVSCOGFADC-ZWKOTPCHSA-N 1 0 404.470 3.670 20 5 HHBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461440558 983104737 /nfs/dbraw/zinc/10/47/37/983104737.db2.gz YDILQDSEDMOSMU-MSOLQXFVSA-N 1 0 404.470 3.670 20 5 HHBDRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000461471086 983131896 /nfs/dbraw/zinc/13/18/96/983131896.db2.gz MRRKPKLDYAKNGZ-KRWDZBQOSA-N 1 0 407.474 3.503 20 5 HHBDRO Cc1c(CC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000438892003 983140094 /nfs/dbraw/zinc/14/00/94/983140094.db2.gz BLTROIYFUCYNNA-UHFFFAOYSA-N 1 0 424.501 3.899 20 5 HHBDRO O=c1[nH]c(N2CC[NH+](Cc3cccc4ccccc43)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000439096931 983248497 /nfs/dbraw/zinc/24/84/97/983248497.db2.gz HXMJSIVUHUVOIK-UHFFFAOYSA-N 1 0 415.453 3.719 20 5 HHBDRO Cc1c(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000439169236 983287887 /nfs/dbraw/zinc/28/78/87/983287887.db2.gz MXIITJPCXAHETE-GGAORHGYSA-N 1 0 407.514 3.959 20 5 HHBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000439686095 983501389 /nfs/dbraw/zinc/50/13/89/983501389.db2.gz HXJRJPWLLQFALQ-AWEZNQCLSA-N 1 0 417.428 3.776 20 5 HHBDRO CCOC(=O)c1ccnc(N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000439703711 983509173 /nfs/dbraw/zinc/50/91/73/983509173.db2.gz FBLFUWRIPIJKPE-SFHVURJKSA-N 1 0 412.490 3.515 20 5 HHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000439766796 983530288 /nfs/dbraw/zinc/53/02/88/983530288.db2.gz IDBDKANYQLUZKM-AWEZNQCLSA-N 1 0 402.882 3.528 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000439772106 983532377 /nfs/dbraw/zinc/53/23/77/983532377.db2.gz VTZJVWCLUSHKKG-CVEARBPZSA-N 1 0 414.531 3.812 20 5 HHBDRO O=C(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1c(Cl)cccc1Cl ZINC000440496121 983776347 /nfs/dbraw/zinc/77/63/47/983776347.db2.gz QWUQQTMQGFNSSU-LBPRGKRZSA-N 1 0 424.288 3.812 20 5 HHBDRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2c2cccnc12 ZINC000440518026 983783055 /nfs/dbraw/zinc/78/30/55/983783055.db2.gz IZGQWXRVDOHPNH-AREMUKBSSA-N 1 0 411.505 3.755 20 5 HHBDRO CS[C@H]1CCCCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000441136324 984084913 /nfs/dbraw/zinc/08/49/13/984084913.db2.gz VWAFTDGFICBNBI-HNNXBMFYSA-N 1 0 406.533 3.874 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]Cc3cccc(N4CCC4=O)c3)o2)c([N+](=O)[O-])c1 ZINC000441189854 984107082 /nfs/dbraw/zinc/10/70/82/984107082.db2.gz AJPYABCHWJFBML-UHFFFAOYSA-N 1 0 407.426 3.890 20 5 HHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441260626 984144401 /nfs/dbraw/zinc/14/44/01/984144401.db2.gz WORVAJWULPXSKI-HZPDHXFCSA-N 1 0 419.909 3.809 20 5 HHBDRO C[C@@H](O)C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441269264 984149573 /nfs/dbraw/zinc/14/95/73/984149573.db2.gz LYOUHOFWCUSDEH-HUUCEWRRSA-N 1 0 420.893 3.929 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441277287 984154849 /nfs/dbraw/zinc/15/48/49/984154849.db2.gz ORCJWMUBWCNIDP-HZPDHXFCSA-N 1 0 419.909 3.809 20 5 HHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441402786 984233302 /nfs/dbraw/zinc/23/33/02/984233302.db2.gz JUKZDSTXRVXMGQ-TYILLQQXSA-N 1 0 406.914 3.524 20 5 HHBDRO Cc1ccc(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)cc1[N+](=O)[O-] ZINC000442200901 984721146 /nfs/dbraw/zinc/72/11/46/984721146.db2.gz RVYHNHWDWUKXCD-UHFFFAOYSA-N 1 0 424.501 3.755 20 5 HHBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Br)s1 ZINC000442741713 985197790 /nfs/dbraw/zinc/19/77/90/985197790.db2.gz WAQMIFSUXMRMCB-MFKMUULPSA-N 1 0 410.293 3.875 20 5 HHBDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000442789960 985216509 /nfs/dbraw/zinc/21/65/09/985216509.db2.gz FOIADTFGYKOBIW-KRWDZBQOSA-N 1 0 412.408 3.964 20 5 HHBDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000442797437 985218898 /nfs/dbraw/zinc/21/88/98/985218898.db2.gz WWUVWUYKCOVUSD-MRXNPFEDSA-N 1 0 412.408 3.964 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000462482410 985438128 /nfs/dbraw/zinc/43/81/28/985438128.db2.gz GIGQAYAPGKZUIE-IBGZPJMESA-N 1 0 417.550 3.703 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000462633236 985575040 /nfs/dbraw/zinc/57/50/40/985575040.db2.gz SQHXMHMQVGKWCL-FQEVSTJZSA-N 1 0 417.550 3.562 20 5 HHBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000468006059 985657237 /nfs/dbraw/zinc/65/72/37/985657237.db2.gz SGEVNQMJHUSILK-KRWDZBQOSA-N 1 0 417.531 3.663 20 5 HHBDRO COC(=O)c1ccccc1C(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000462874199 985798628 /nfs/dbraw/zinc/79/86/28/985798628.db2.gz MIJOXVUYHSPKGI-HOCLYGCPSA-N 1 0 411.458 3.507 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1OC ZINC000468164106 985841138 /nfs/dbraw/zinc/84/11/38/985841138.db2.gz KIKGXFAATZUQRU-BTYIYWSLSA-N 1 0 415.490 3.732 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443721432 985932245 /nfs/dbraw/zinc/93/22/45/985932245.db2.gz TTYHPBCGLBFDEB-UHFFFAOYSA-N 1 0 415.943 3.525 20 5 HHBDRO NC(=O)[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])Cc1ccccc1Cl ZINC000468473921 986168415 /nfs/dbraw/zinc/16/84/15/986168415.db2.gz BGFNVHQMEYRASF-KPFFTGBYSA-N 1 0 415.921 3.893 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000463276436 986242727 /nfs/dbraw/zinc/24/27/27/986242727.db2.gz PDWVQXPJZPIYLV-UTKZUKDTSA-N 1 0 408.502 3.789 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000468598133 986308991 /nfs/dbraw/zinc/30/89/91/986308991.db2.gz OQOWRTNOIWVNQK-JYRVWZFOSA-N 1 0 404.264 3.989 20 5 HHBDRO COc1cc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000468694461 986407123 /nfs/dbraw/zinc/40/71/23/986407123.db2.gz PECHPAYYWFDSBV-RTBURBONSA-N 1 0 400.422 3.542 20 5 HHBDRO COc1ccccc1C[C@@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000444238457 986429061 /nfs/dbraw/zinc/42/90/61/986429061.db2.gz JVLHDWVKXSGOAF-OAHLLOKOSA-N 1 0 401.463 3.504 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)cc1OC ZINC000469003978 986709340 /nfs/dbraw/zinc/70/93/40/986709340.db2.gz KVKPOLZFCIXVFK-MRXNPFEDSA-N 1 0 415.446 3.640 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)nc2c1 ZINC000444660596 986842874 /nfs/dbraw/zinc/84/28/74/986842874.db2.gz JWASIOPXPWGTEW-UHFFFAOYSA-N 1 0 405.502 3.959 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000469320928 987030936 /nfs/dbraw/zinc/03/09/36/987030936.db2.gz LEQAUDQEPUKBDR-INIZCTEOSA-N 1 0 405.857 3.916 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1SC ZINC000469341698 987048480 /nfs/dbraw/zinc/04/84/80/987048480.db2.gz LUKDJNMIBNHCBS-HNNXBMFYSA-N 1 0 417.487 3.963 20 5 HHBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c1 ZINC000445179160 987262230 /nfs/dbraw/zinc/26/22/30/987262230.db2.gz JAGMICCJUXHNFW-UHFFFAOYSA-N 1 0 415.493 3.552 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469771213 987422692 /nfs/dbraw/zinc/42/26/92/987422692.db2.gz YMHMKPRNTCRYTM-ROUUACIJSA-N 1 0 410.518 3.588 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000445577620 987643342 /nfs/dbraw/zinc/64/33/42/987643342.db2.gz ULZQOECYGPVPLV-QGZVFWFLSA-N 1 0 408.458 3.957 20 5 HHBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cccc(C[N@H+](C)Cc3ccccc3)c2)n1 ZINC000445580809 987646061 /nfs/dbraw/zinc/64/60/61/987646061.db2.gz ZMMIUVAIIMFCCN-UHFFFAOYSA-N 1 0 404.430 3.677 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000463916950 988025324 /nfs/dbraw/zinc/02/53/24/988025324.db2.gz WFZNPBLJDBHYJC-KUHUBIRLSA-N 1 0 403.454 3.926 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470137045 988042922 /nfs/dbraw/zinc/04/29/22/988042922.db2.gz ITKURXHXIQRTCB-GOSISDBHSA-N 1 0 401.442 3.647 20 5 HHBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)[C@@H]1C ZINC000470153349 988063348 /nfs/dbraw/zinc/06/33/48/988063348.db2.gz SDLYARNDJKSPGT-DNVCBOLYSA-N 1 0 414.458 3.566 20 5 HHBDRO COC(=O)[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000470154002 988063828 /nfs/dbraw/zinc/06/38/28/988063828.db2.gz BTIMOAVTHLDDIY-IERDGZPVSA-N 1 0 420.469 3.831 20 5 HHBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000470155577 988066251 /nfs/dbraw/zinc/06/62/51/988066251.db2.gz ZNXLBQZJRMWTGO-VGOFRKELSA-N 1 0 424.501 3.911 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000470181688 988098033 /nfs/dbraw/zinc/09/80/33/988098033.db2.gz ASVVKOQOKZMSCG-VKAVYKQESA-N 1 0 418.515 3.803 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](C[N@H+](C)CC4CC4)C3)cc2[N+](=O)[O-])C1 ZINC000470233621 988168374 /nfs/dbraw/zinc/16/83/74/988168374.db2.gz ZJGGXFQEJAQAPL-HKUYNNGSSA-N 1 0 414.550 3.635 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000470599971 988616461 /nfs/dbraw/zinc/61/64/61/988616461.db2.gz GYEDFKUCOHXYTJ-INIZCTEOSA-N 1 0 421.379 3.523 20 5 HHBDRO CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470663464 988683306 /nfs/dbraw/zinc/68/33/06/988683306.db2.gz XMSHYHMYJKDCAW-NRFANRHFSA-N 1 0 419.485 3.517 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000470677716 988702348 /nfs/dbraw/zinc/70/23/48/988702348.db2.gz KIVZPVGUHPWVAZ-FUHWJXTLSA-N 1 0 411.506 3.766 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000464608474 988790374 /nfs/dbraw/zinc/79/03/74/988790374.db2.gz MYFZVTZLDPGZMA-TZMCWYRMSA-N 1 0 403.483 3.541 20 5 HHBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000470852298 988931034 /nfs/dbraw/zinc/93/10/34/988931034.db2.gz VNYVHHNEQQPZFR-UHFFFAOYSA-N 1 0 408.549 3.925 20 5 HHBDRO CC(C)[NH+](CCCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)C(C)C ZINC000470862277 988933996 /nfs/dbraw/zinc/93/39/96/988933996.db2.gz GWQICFVMIUATCV-UHFFFAOYSA-N 1 0 407.902 3.715 20 5 HHBDRO O=C(CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)NCc1ccccc1Cl ZINC000464773573 988998504 /nfs/dbraw/zinc/99/85/04/988998504.db2.gz IQWJEVKTHWYZHG-UHFFFAOYSA-N 1 0 417.893 3.798 20 5 HHBDRO CC(=O)c1ccc(NC(=O)CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000464774731 989000820 /nfs/dbraw/zinc/00/08/20/989000820.db2.gz IHOWKMQTFDYPPC-UHFFFAOYSA-N 1 0 411.458 3.669 20 5 HHBDRO CC[N@H+](C)C[C@H]1CCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000464788805 989020320 /nfs/dbraw/zinc/02/03/20/989020320.db2.gz BZXKJTPUHCIFCR-GCJKJVERSA-N 1 0 410.518 3.857 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000470990516 989054449 /nfs/dbraw/zinc/05/44/49/989054449.db2.gz DOUPZOIBRUJTOX-IFXJQAMLSA-N 1 0 403.504 3.868 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000471003088 989070638 /nfs/dbraw/zinc/07/06/38/989070638.db2.gz CDJKNGAEBHGERS-ROUUACIJSA-N 1 0 412.412 3.788 20 5 HHBDRO CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464836072 989077931 /nfs/dbraw/zinc/07/79/31/989077931.db2.gz JJFXTHFWNLGEFW-SFHVURJKSA-N 1 0 407.474 3.599 20 5 HHBDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000471045625 989123443 /nfs/dbraw/zinc/12/34/43/989123443.db2.gz UWDIDPRXPWFPIP-INIZCTEOSA-N 1 0 412.490 3.561 20 5 HHBDRO COC(=O)[C@H](C)[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000464875177 989136241 /nfs/dbraw/zinc/13/62/41/989136241.db2.gz DCORJMCSFYOVQW-QVKFZJNVSA-N 1 0 409.442 3.932 20 5 HHBDRO CCOc1ccc(C(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000464951399 989246634 /nfs/dbraw/zinc/24/66/34/989246634.db2.gz KAVSHJAQRLWDMF-LJQANCHMSA-N 1 0 411.502 3.978 20 5 HHBDRO Cc1cccc(C[N@@H+](Cc2ccccn2)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000471181515 989311115 /nfs/dbraw/zinc/31/11/15/989311115.db2.gz MPHFTQNUGYIFJO-QFIPXVFZSA-N 1 0 407.470 3.740 20 5 HHBDRO COc1ccc(C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000471619817 989824758 /nfs/dbraw/zinc/82/47/58/989824758.db2.gz NZZOUIVVNDUFCA-OAHLLOKOSA-N 1 0 411.458 3.548 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000471633990 989840999 /nfs/dbraw/zinc/84/09/99/989840999.db2.gz LZMRMAPCXZVXHG-IBGZPJMESA-N 1 0 410.518 3.944 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000465751973 990138318 /nfs/dbraw/zinc/13/83/18/990138318.db2.gz JIPXICHLYRCASG-VQIMIIECSA-N 1 0 402.520 3.581 20 5 HHBDRO Cc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1NC(=O)CC[NH+](C)C ZINC000466236562 991465365 /nfs/dbraw/zinc/46/53/65/991465365.db2.gz AHSJALGYBGFNFW-UHFFFAOYSA-N 1 0 404.854 3.699 20 5 HHBDRO COCc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000467026127 992333404 /nfs/dbraw/zinc/33/34/04/992333404.db2.gz XDDKTDAWBFIYBT-KRWDZBQOSA-N 1 0 403.435 3.509 20 5 HHBDRO Cc1sc(S(=O)(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000467081702 992387752 /nfs/dbraw/zinc/38/77/52/992387752.db2.gz NDMXVAJCLMNXBL-YOEHRIQHSA-N 1 0 423.560 3.638 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000467237193 992558754 /nfs/dbraw/zinc/55/87/54/992558754.db2.gz UUMYXDFDPYHIMO-UHFFFAOYSA-N 1 0 404.854 3.849 20 5 HHBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000467550224 992829315 /nfs/dbraw/zinc/82/93/15/992829315.db2.gz IDMSHMLLMPDGQZ-OAQYLSRUSA-N 1 0 402.447 3.647 20 5 HHBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472106805 993158169 /nfs/dbraw/zinc/15/81/69/993158169.db2.gz VTVWRXDQKWIPMO-KRWDZBQOSA-N 1 0 416.909 3.612 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000472297434 993311305 /nfs/dbraw/zinc/31/13/05/993311305.db2.gz QXCVGUOCIFPXQO-IBGZPJMESA-N 1 0 424.501 3.516 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000472502221 993500735 /nfs/dbraw/zinc/50/07/35/993500735.db2.gz QDMJZVTZHPMLKW-CYGODWOOSA-N 1 0 410.518 3.670 20 5 HHBDRO CCOc1ccc(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000472502824 993501341 /nfs/dbraw/zinc/50/13/41/993501341.db2.gz PYKVWQALEGSCMB-IAGOWNOFSA-N 1 0 411.502 3.880 20 5 HHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2(N3CCSCC3)CCCCC2)n1 ZINC000472628904 993570263 /nfs/dbraw/zinc/57/02/63/993570263.db2.gz JYPVYGQLWZVCLZ-QZTJIDSGSA-N 1 0 407.584 3.616 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000480807456 993678065 /nfs/dbraw/zinc/67/80/65/993678065.db2.gz QGSTZIYWNOXJHS-HZPDHXFCSA-N 1 0 423.579 3.820 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000480807455 993678315 /nfs/dbraw/zinc/67/83/15/993678315.db2.gz QGSTZIYWNOXJHS-HOTGVXAUSA-N 1 0 423.579 3.820 20 5 HHBDRO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481183647 994014331 /nfs/dbraw/zinc/01/43/31/994014331.db2.gz RIEYTXVBGSFILQ-CQSZACIVSA-N 1 0 406.446 3.886 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000481186787 994018575 /nfs/dbraw/zinc/01/85/75/994018575.db2.gz YFVPWCRTIOLKTB-IMFGXOCKSA-N 1 0 410.518 3.730 20 5 HHBDRO CC(C)c1ccc(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000473180064 994045310 /nfs/dbraw/zinc/04/53/10/994045310.db2.gz BYPTWUQIIUSOOL-IRXDYDNUSA-N 1 0 403.523 3.680 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)C1CC1 ZINC000481213997 994047220 /nfs/dbraw/zinc/04/72/20/994047220.db2.gz MPFQGCGVJUNPLK-GGAORHGYSA-N 1 0 413.493 3.718 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000473269914 994120131 /nfs/dbraw/zinc/12/01/31/994120131.db2.gz DNECDBHBIPHKIP-JIPZTSHUSA-N 1 0 406.486 3.963 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000481377835 994209606 /nfs/dbraw/zinc/20/96/06/994209606.db2.gz VQBRHAUAJFBCSN-YJBOKZPZSA-N 1 0 423.560 3.635 20 5 HHBDRO CN(CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccccc1[N+](=O)[O-] ZINC000473499410 994346506 /nfs/dbraw/zinc/34/65/06/994346506.db2.gz SMJWRQRHZGLCTG-DEOSSOPVSA-N 1 0 422.529 3.546 20 5 HHBDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000473516635 994370774 /nfs/dbraw/zinc/37/07/74/994370774.db2.gz CUTAQMQNPQAYFU-UHFFFAOYSA-N 1 0 410.396 3.611 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1OC ZINC000473539802 994399502 /nfs/dbraw/zinc/39/95/02/994399502.db2.gz LJNLDJIBRYCWBO-UHFFFAOYSA-N 1 0 405.495 3.529 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)C1CC1 ZINC000481566034 994401260 /nfs/dbraw/zinc/40/12/60/994401260.db2.gz QWQZUGBLRWXSOG-HXUWFJFHSA-N 1 0 424.497 3.983 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000481815276 994664867 /nfs/dbraw/zinc/66/48/67/994664867.db2.gz MSYATWZRXMQYDY-UHFFFAOYSA-N 1 0 422.840 3.917 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(c4nnc5n4CCCC5)CC3)o2)c1 ZINC000481839538 994691607 /nfs/dbraw/zinc/69/16/07/994691607.db2.gz HDTLCTNILIQOBL-UHFFFAOYSA-N 1 0 422.489 3.600 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481841203 994695135 /nfs/dbraw/zinc/69/51/35/994695135.db2.gz AYUGUJTYLWPGQQ-NQIIRXRSSA-N 1 0 409.486 3.730 20 5 HHBDRO CC[C@H](Cc1ccccc1Br)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000481850403 994706839 /nfs/dbraw/zinc/70/68/39/994706839.db2.gz XAVZEAWLZAHODP-MRXNPFEDSA-N 1 0 420.307 3.909 20 5 HHBDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000474020214 995010924 /nfs/dbraw/zinc/01/09/24/995010924.db2.gz XFCLQWCIQSHUKI-LLVKDONJSA-N 1 0 410.268 3.574 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000474024084 995015529 /nfs/dbraw/zinc/01/55/29/995015529.db2.gz UZMSVRMVMORMDR-GFCCVEGCSA-N 1 0 401.444 3.607 20 5 HHBDRO COc1cccc([C@@H]2[C@@H](NC(=O)Cc3cccc([N+](=O)[O-])c3C)CC[N@@H+]2C2CC2)c1 ZINC000482096540 995039338 /nfs/dbraw/zinc/03/93/38/995039338.db2.gz BMQCFQOHFCRFDP-NZQKXSOJSA-N 1 0 409.486 3.549 20 5 HHBDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000482099760 995045176 /nfs/dbraw/zinc/04/51/76/995045176.db2.gz HMINOACFTRHYCJ-VQTJNVASSA-N 1 0 415.877 3.965 20 5 HHBDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000482135552 995085548 /nfs/dbraw/zinc/08/55/48/995085548.db2.gz NIFVJYRILVXIHY-QGZVFWFLSA-N 1 0 411.502 3.796 20 5 HHBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000482149931 995101776 /nfs/dbraw/zinc/10/17/76/995101776.db2.gz NZKDMEKLEDNBBF-HXUWFJFHSA-N 1 0 409.490 3.891 20 5 HHBDRO COc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2OC)[NH+]2CCCCC2)cc1 ZINC000474200866 995196031 /nfs/dbraw/zinc/19/60/31/995196031.db2.gz VJERBBWYNRTHIM-FQEVSTJZSA-N 1 0 413.474 3.569 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000474363173 995343361 /nfs/dbraw/zinc/34/33/61/995343361.db2.gz SGWGKKOBYRARLO-UHFFFAOYSA-N 1 0 413.257 3.786 20 5 HHBDRO CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474744031 995677964 /nfs/dbraw/zinc/67/79/64/995677964.db2.gz DQPVCIIFAPCRGC-MRXNPFEDSA-N 1 0 420.416 3.934 20 5 HHBDRO CC(C)(COc1ncccc1Br)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000482695528 995687046 /nfs/dbraw/zinc/68/70/46/995687046.db2.gz XXCFYOKNJWJXRJ-UHFFFAOYSA-N 1 0 420.267 3.576 20 5 HHBDRO Cc1cccc(CC2(O)CC[NH+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000482926266 995855361 /nfs/dbraw/zinc/85/53/61/995855361.db2.gz IYFXQXRBJCEIIX-UHFFFAOYSA-N 1 0 411.502 3.610 20 5 HHBDRO CO[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000483013845 995919630 /nfs/dbraw/zinc/91/96/30/995919630.db2.gz HNBGWCKHFPSRSV-VLIAUNLRSA-N 1 0 418.519 3.936 20 5 HHBDRO Cc1c(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000483349329 996116073 /nfs/dbraw/zinc/11/60/73/996116073.db2.gz FVBGFTDHOPQMBO-WFASDCNBSA-N 1 0 411.300 3.756 20 5 HHBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000475450841 996148789 /nfs/dbraw/zinc/14/87/89/996148789.db2.gz DPVOYNVSUNFVRR-HXUWFJFHSA-N 1 0 424.501 3.665 20 5 HHBDRO Cc1cccc(CC2(O)CC[NH+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000475486681 996171455 /nfs/dbraw/zinc/17/14/55/996171455.db2.gz LVNIDHQYKDTTDF-UHFFFAOYSA-N 1 0 420.513 3.873 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000475511276 996191753 /nfs/dbraw/zinc/19/17/53/996191753.db2.gz SZCYTDVXBMIWSA-RYUDHWBXSA-N 1 0 407.268 3.820 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000475663689 996285675 /nfs/dbraw/zinc/28/56/75/996285675.db2.gz DLCWWFSPMUASMI-NRFANRHFSA-N 1 0 422.428 3.774 20 5 HHBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](Cc2ccccn2)c2ccc(Br)cc2)n1 ZINC000475748317 996345664 /nfs/dbraw/zinc/34/56/64/996345664.db2.gz KUVMHPUYVGIYGY-KRWDZBQOSA-N 1 0 416.279 3.522 20 5 HHBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000483828605 996413184 /nfs/dbraw/zinc/41/31/84/996413184.db2.gz HXZQRNWMLWGPKB-OAHLLOKOSA-N 1 0 405.401 3.591 20 5 HHBDRO CCc1cc(N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000476047714 996566152 /nfs/dbraw/zinc/56/61/52/996566152.db2.gz GREWYQUZHDOICB-RBUKOAKNSA-N 1 0 413.547 3.630 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000484297469 996686270 /nfs/dbraw/zinc/68/62/70/996686270.db2.gz UJGBTNQOGCGTTJ-QGZVFWFLSA-N 1 0 407.474 3.541 20 5 HHBDRO CC(C)[C@@](C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1 ZINC000484324927 996704535 /nfs/dbraw/zinc/70/45/35/996704535.db2.gz KSLDEIFJZBSNOD-GOSISDBHSA-N 1 0 408.296 3.680 20 5 HHBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 ZINC000484382731 996739713 /nfs/dbraw/zinc/73/97/13/996739713.db2.gz GYXISANIMOHGLT-CQSZACIVSA-N 1 0 402.882 3.542 20 5 HHBDRO COc1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000476367041 996797958 /nfs/dbraw/zinc/79/79/58/996797958.db2.gz XEHSWOVUBBMXEL-ICSRJNTNSA-N 1 0 409.486 3.730 20 5 HHBDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000484650237 996986149 /nfs/dbraw/zinc/98/61/49/996986149.db2.gz RUSJZMMBVYRHAB-BBTUJRGHSA-N 1 0 400.475 3.623 20 5 HHBDRO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000484705314 997043381 /nfs/dbraw/zinc/04/33/81/997043381.db2.gz QHHGTAWSTOYPGA-HYDGNGQDSA-N 1 0 412.515 3.646 20 5 HHBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000484774509 997122026 /nfs/dbraw/zinc/12/20/26/997122026.db2.gz GCJHWCLAUMRQOH-UHFFFAOYSA-N 1 0 400.479 3.816 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1SC ZINC000484783806 997132337 /nfs/dbraw/zinc/13/23/37/997132337.db2.gz BZYHMFIZVIBCOC-UHFFFAOYSA-N 1 0 415.515 3.851 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1SC ZINC000484877330 997242095 /nfs/dbraw/zinc/24/20/95/997242095.db2.gz JVVSZAXXOGGHAE-UHFFFAOYSA-N 1 0 415.515 3.851 20 5 HHBDRO CC(=O)c1ccc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000484959429 997336802 /nfs/dbraw/zinc/33/68/02/997336802.db2.gz FPVUCVZIVASKMA-UHFFFAOYSA-N 1 0 401.438 3.892 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485165620 997548301 /nfs/dbraw/zinc/54/83/01/997548301.db2.gz GVTJCWMZDQGMHJ-APWZRJJASA-N 1 0 408.502 3.810 20 5 HHBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000485202645 997578516 /nfs/dbraw/zinc/57/85/16/997578516.db2.gz ADNZSQQTSSICPG-LBPRGKRZSA-N 1 0 422.279 3.564 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000477065689 997710917 /nfs/dbraw/zinc/71/09/17/997710917.db2.gz IKMXMUKYLGMHMH-OHZJNBGDSA-N 1 0 403.504 3.662 20 5 HHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000485349275 997770699 /nfs/dbraw/zinc/77/06/99/997770699.db2.gz LIQOSZDARZQUCE-NWSQWKLXSA-N 1 0 422.529 3.999 20 5 HHBDRO COc1c(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000477142743 997799503 /nfs/dbraw/zinc/79/95/03/997799503.db2.gz NYXVSUCLOXWADW-UHFFFAOYSA-N 1 0 412.490 3.634 20 5 HHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc1-c1ccc(F)cc1 ZINC000485398320 997827861 /nfs/dbraw/zinc/82/78/61/997827861.db2.gz JKEJRNHJRROKRM-OAHLLOKOSA-N 1 0 400.454 3.709 20 5 HHBDRO CC1CC[NH+](C2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC2)CC1 ZINC000485458412 997902135 /nfs/dbraw/zinc/90/21/35/997902135.db2.gz OYFBHQMMZZDCMT-UHFFFAOYSA-N 1 0 411.449 3.969 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000485709077 998176185 /nfs/dbraw/zinc/17/61/85/998176185.db2.gz JBOBCYMMBLAUJN-HNNXBMFYSA-N 1 0 417.456 3.964 20 5 HHBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000485770110 998244593 /nfs/dbraw/zinc/24/45/93/998244593.db2.gz MKOPBHZXEOYFCF-UHFFFAOYSA-N 1 0 409.486 3.874 20 5 HHBDRO C[NH+](C)Cc1ccc(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000477626248 998344497 /nfs/dbraw/zinc/34/44/97/998344497.db2.gz KXKMZZKZZVQYIA-UHFFFAOYSA-N 1 0 409.845 3.534 20 5 HHBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000486000142 998444588 /nfs/dbraw/zinc/44/45/88/998444588.db2.gz DODNEGQAOMNKMF-KSSFIOAISA-N 1 0 405.296 3.882 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000477731531 998465150 /nfs/dbraw/zinc/46/51/50/998465150.db2.gz OXFNRUZLRVHBOO-UHFFFAOYSA-N 1 0 408.458 3.533 20 5 HHBDRO CSc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1[N+](=O)[O-] ZINC000477731616 998465321 /nfs/dbraw/zinc/46/53/21/998465321.db2.gz LWTANBZFDTZVOC-UHFFFAOYSA-N 1 0 415.515 3.773 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)C[C@H](C)O1 ZINC000486156754 998606257 /nfs/dbraw/zinc/60/62/57/998606257.db2.gz LMGNXDKPMPCVKA-IYBDPMFKSA-N 1 0 423.473 3.866 20 5 HHBDRO COc1cccc([C@@H]2[C@@H](NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000486222033 998657735 /nfs/dbraw/zinc/65/77/35/998657735.db2.gz MNKJOWKVEUQHBB-UZQPLGKSSA-N 1 0 424.501 3.942 20 5 HHBDRO COc1cccc([C@@H]2[C@H](NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000486222031 998657837 /nfs/dbraw/zinc/65/78/37/998657837.db2.gz MNKJOWKVEUQHBB-UJUVCNOISA-N 1 0 424.501 3.942 20 5 HHBDRO O=C1[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCN1Cc1ccc(F)cc1 ZINC000477924172 998660401 /nfs/dbraw/zinc/66/04/01/998660401.db2.gz DQAQLCAEASRITP-DUXKGJEZSA-N 1 0 411.477 3.836 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478054076 998738424 /nfs/dbraw/zinc/73/84/24/998738424.db2.gz PATPQNIZHWTTES-SFHVURJKSA-N 1 0 402.539 3.818 20 5 HHBDRO CCc1nc2c(s1)[C@H]([N@H+](C)CCCn1c(=O)oc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000478060182 998742164 /nfs/dbraw/zinc/74/21/64/998742164.db2.gz NTWMSTKEXXBPBF-OAHLLOKOSA-N 1 0 416.503 3.921 20 5 HHBDRO CSc1cccc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1[N+](=O)[O-] ZINC000486484867 998789961 /nfs/dbraw/zinc/78/99/61/998789961.db2.gz IBKCVSCCPTXTCT-UHFFFAOYSA-N 1 0 411.527 3.980 20 5 HHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000486585406 998842089 /nfs/dbraw/zinc/84/20/89/998842089.db2.gz KSNKDSPMFHLEIP-UHFFFAOYSA-N 1 0 403.504 3.577 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2OC(F)(F)F)c(F)c1 ZINC000478276842 998859497 /nfs/dbraw/zinc/85/94/97/998859497.db2.gz OZRAWHYYDAVFAE-LBPRGKRZSA-N 1 0 402.344 3.573 20 5 HHBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000478298609 998872578 /nfs/dbraw/zinc/87/25/78/998872578.db2.gz XLCWAFFIDSKXTQ-AWEZNQCLSA-N 1 0 420.560 3.925 20 5 HHBDRO COCCSCCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000486733631 998913334 /nfs/dbraw/zinc/91/33/34/998913334.db2.gz GINHZBNOYKAYOG-UHFFFAOYSA-N 1 0 407.458 3.505 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000486755828 998925414 /nfs/dbraw/zinc/92/54/14/998925414.db2.gz ZRQCSVXSNWXIIK-UHFFFAOYSA-N 1 0 421.563 3.670 20 5 HHBDRO CC(C)N1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)CC1 ZINC000487077843 999056485 /nfs/dbraw/zinc/05/64/85/999056485.db2.gz WWTURSKENNQGQM-UHFFFAOYSA-N 1 0 404.555 3.767 20 5 HHBDRO COc1cc(C(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000478675443 999082850 /nfs/dbraw/zinc/08/28/50/999082850.db2.gz IPIVETHLNPRDSJ-GJZGRUSLSA-N 1 0 413.474 3.773 20 5 HHBDRO Cc1c(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000478960195 999223605 /nfs/dbraw/zinc/22/36/05/999223605.db2.gz MEYGYHBPCRIFAA-UHFFFAOYSA-N 1 0 402.520 3.676 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000488520464 999516072 /nfs/dbraw/zinc/51/60/72/999516072.db2.gz VSPXOVSLDIYQCI-WIYYLYMNSA-N 1 0 422.529 3.835 20 5 HHBDRO C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488563079 999528916 /nfs/dbraw/zinc/52/89/16/999528916.db2.gz UNFUNCUWTSGOFS-YLJYHZDGSA-N 1 0 408.502 3.573 20 5 HHBDRO COc1cccc([C@H]2[C@H](NC(=O)NCc3cccc([N+](=O)[O-])c3C)CC[N@@H+]2C2CC2)c1 ZINC000479751557 999571799 /nfs/dbraw/zinc/57/17/99/999571799.db2.gz TXSSWLAKZFZZMJ-IRLDBZIGSA-N 1 0 424.501 3.689 20 5 HHBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488718553 999586907 /nfs/dbraw/zinc/58/69/07/999586907.db2.gz VGLOXCJDIXDQTK-SRVKXCTJSA-N 1 0 408.371 3.810 20 5 HHBDRO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)N(c1ccccc1)C1CCCCC1 ZINC000488774892 999603508 /nfs/dbraw/zinc/60/35/08/999603508.db2.gz JUFPAZYLWOXVKM-UHFFFAOYSA-N 1 0 411.506 3.794 20 5 HHBDRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000479945562 999658343 /nfs/dbraw/zinc/65/83/43/999658343.db2.gz BFUARJAEVVNTAH-UHFFFAOYSA-N 1 0 401.438 3.527 20 5 HHBDRO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000488965359 999659306 /nfs/dbraw/zinc/65/93/06/999659306.db2.gz LPHYXZVRCCKHDV-UHFFFAOYSA-N 1 0 419.485 3.662 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000489036827 999678636 /nfs/dbraw/zinc/67/86/36/999678636.db2.gz NZYABOHVZFXVGR-ATZDWAIDSA-N 1 0 421.563 3.667 20 5 HHBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489095926 999698283 /nfs/dbraw/zinc/69/82/83/999698283.db2.gz KTAOOXDXCPPNHJ-UHFFFAOYSA-N 1 0 407.417 3.966 20 5 HHBDRO COc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc([N+](=O)[O-])c1C ZINC000480078740 999711294 /nfs/dbraw/zinc/71/12/94/999711294.db2.gz ACKYJJFLMDTASB-IHWFROFDSA-N 1 0 409.486 3.837 20 5 HHBDRO O=C(CN1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1)Nc1ccccc1 ZINC000480310701 999768226 /nfs/dbraw/zinc/76/82/26/999768226.db2.gz NVWWRQSAJVTNDJ-JOCHJYFZSA-N 1 0 422.529 3.609 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000489595572 999799343 /nfs/dbraw/zinc/79/93/43/999799343.db2.gz JQFKRHZDJWKSEC-LJQANCHMSA-N 1 0 408.502 3.765 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)C1CC1 ZINC000480456592 999803497 /nfs/dbraw/zinc/80/34/97/999803497.db2.gz YZAFACIKVDSUKV-OAHLLOKOSA-N 1 0 405.380 3.767 20 5 HHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000480458776 999803756 /nfs/dbraw/zinc/80/37/56/999803756.db2.gz BKFZSCAWKGEAQU-UHFFFAOYSA-N 1 0 421.563 3.527 20 5 HHBDRO Cc1c(C[NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000480466447 999805627 /nfs/dbraw/zinc/80/56/27/999805627.db2.gz IDGKPQHBFZIANA-UHFFFAOYSA-N 1 0 419.909 3.557 20 5 HHBDRO Cn1c(C(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] ZINC000490118345 999895525 /nfs/dbraw/zinc/89/55/25/999895525.db2.gz PAEQEJXNNUWTSZ-UHFFFAOYSA-N 1 0 424.423 3.689 20 5 HHBDRO C[NH+]1CCN(c2ncccc2CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000490178189 999905483 /nfs/dbraw/zinc/90/54/83/999905483.db2.gz JZARIQBWZDUPNF-HSZRJFAPSA-N 1 0 417.513 3.621 20 5 HHBDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000490339283 999940208 /nfs/dbraw/zinc/94/02/08/999940208.db2.gz HRWMUWJUIQURAP-AWEZNQCLSA-N 1 0 405.392 3.747 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000490989895 1000031060 /nfs/dbraw/zinc/03/10/60/1000031060.db2.gz UKJXQWMLVQETPZ-QGZVFWFLSA-N 1 0 423.517 3.889 20 5 HHBDRO COc1cc(CN(C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])ccc1O ZINC000491139635 1000049323 /nfs/dbraw/zinc/04/93/23/1000049323.db2.gz RHTRKTPIOWSIFD-UHFFFAOYSA-N 1 0 412.389 3.594 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(c2ccccc2)C2CC[NH+](C)CC2)cc1C ZINC000493286149 1000167563 /nfs/dbraw/zinc/16/75/63/1000167563.db2.gz ZJFSFVFMMYOOBV-UHFFFAOYSA-N 1 0 403.504 3.501 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)cc2[N+](=O)[O-])n1 ZINC000493343308 1000169657 /nfs/dbraw/zinc/16/96/57/1000169657.db2.gz FFHHTVNHOXHOEU-BBRMVZONSA-N 1 0 418.544 3.677 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000493733364 1000188549 /nfs/dbraw/zinc/18/85/49/1000188549.db2.gz FCENDXOESYHCRC-DJJJIMSYSA-N 1 0 402.438 3.788 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000493923905 1000216639 /nfs/dbraw/zinc/21/66/39/1000216639.db2.gz FUODKCNWGGYKPK-XLIONFOSSA-N 1 0 405.401 3.630 20 5 HHBDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000493937580 1000225572 /nfs/dbraw/zinc/22/55/72/1000225572.db2.gz RNWIZTXQZXIBNF-MRXNPFEDSA-N 1 0 412.490 3.561 20 5 HHBDRO O=C(C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000493952440 1000234471 /nfs/dbraw/zinc/23/44/71/1000234471.db2.gz KVFLCJJRCFXBRU-CRAIPNDOSA-N 1 0 411.792 3.585 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494012627 1000267203 /nfs/dbraw/zinc/26/72/03/1000267203.db2.gz QYZKRUHMKAEDHA-OAHLLOKOSA-N 1 0 400.422 3.638 20 5 HHBDRO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000494020225 1000272119 /nfs/dbraw/zinc/27/21/19/1000272119.db2.gz XUCMEQSPMUBVHG-FZKQIMNGSA-N 1 0 418.291 3.750 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000494046356 1000281810 /nfs/dbraw/zinc/28/18/10/1000281810.db2.gz CYNMYKXCUZUBNV-CZUORRHYSA-N 1 0 400.317 3.906 20 5 HHBDRO COc1cc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)ccc1[N+](=O)[O-] ZINC000504631238 1000301002 /nfs/dbraw/zinc/30/10/02/1000301002.db2.gz VHUHTAVRBPSQKO-UHFFFAOYSA-N 1 0 401.488 3.713 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000504911212 1000443502 /nfs/dbraw/zinc/44/35/02/1000443502.db2.gz CADWIKKGUABNLL-ZBFHGGJFSA-N 1 0 423.560 3.724 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000504912512 1000444233 /nfs/dbraw/zinc/44/42/33/1000444233.db2.gz WZODEECPNBAPJM-LSDHHAIUSA-N 1 0 421.519 3.656 20 5 HHBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000494452196 1000499539 /nfs/dbraw/zinc/49/95/39/1000499539.db2.gz NNPYHUBJOKYCAA-UHFFFAOYSA-N 1 0 411.506 3.712 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000494478987 1000514138 /nfs/dbraw/zinc/51/41/38/1000514138.db2.gz WMDKUYNVBXXASS-PXNSSMCTSA-N 1 0 419.865 3.705 20 5 HHBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000494482899 1000517414 /nfs/dbraw/zinc/51/74/14/1000517414.db2.gz GPRAMTKCEIHEDN-NSHDSACASA-N 1 0 417.409 3.836 20 5 HHBDRO O=C(CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000494511789 1000532906 /nfs/dbraw/zinc/53/29/06/1000532906.db2.gz QLHQFNBCFIRYIM-LPHOPBHVSA-N 1 0 407.829 3.836 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)cc2[N+](=O)[O-])C1 ZINC000505124178 1000562425 /nfs/dbraw/zinc/56/24/25/1000562425.db2.gz LMZFRERUOJHLML-HNNXBMFYSA-N 1 0 406.446 3.664 20 5 HHBDRO COc1cc(C[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494585835 1000565560 /nfs/dbraw/zinc/56/55/60/1000565560.db2.gz LIPKZSBRQDDWQS-LLVKDONJSA-N 1 0 424.404 3.589 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000494691635 1000606798 /nfs/dbraw/zinc/60/67/98/1000606798.db2.gz QOZJICFSWVPTSV-HSZRJFAPSA-N 1 0 409.486 3.732 20 5 HHBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Br)cs1 ZINC000494759701 1000638454 /nfs/dbraw/zinc/63/84/54/1000638454.db2.gz ISVSTFFRRPWRHJ-SNVBAGLBSA-N 1 0 419.322 3.543 20 5 HHBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505278505 1000665486 /nfs/dbraw/zinc/66/54/86/1000665486.db2.gz KMDNJKLBNGMUKT-UHFFFAOYSA-N 1 0 414.550 3.923 20 5 HHBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000495107642 1000844888 /nfs/dbraw/zinc/84/48/88/1000844888.db2.gz JQKQQKNLSHXSAK-WZONZLPQSA-N 1 0 417.513 3.974 20 5 HHBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)cc2[N+](=O)[O-])C1 ZINC000505526502 1000872081 /nfs/dbraw/zinc/87/20/81/1000872081.db2.gz CVQQZJSFHGVADT-PNCHPQGNSA-N 1 0 414.550 3.635 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000495172301 1000899995 /nfs/dbraw/zinc/89/99/95/1000899995.db2.gz JDWJLVOYCIDGOA-QUCCMNQESA-N 1 0 400.475 3.823 20 5 HHBDRO Cc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000505745352 1001003396 /nfs/dbraw/zinc/00/33/96/1001003396.db2.gz XPTDAWRAWRJOSZ-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(Br)c1 ZINC000497101811 1001270754 /nfs/dbraw/zinc/27/07/54/1001270754.db2.gz ZAJKTVZGFKUYDT-MAUKXSAKSA-N 1 0 420.307 3.652 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000506241328 1001301159 /nfs/dbraw/zinc/30/11/59/1001301159.db2.gz TUANCKVLEWEBQJ-CABCVRRESA-N 1 0 415.943 3.523 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497352501 1001305048 /nfs/dbraw/zinc/30/50/48/1001305048.db2.gz NGOKUTJAAABJDC-KSSFIOAISA-N 1 0 419.428 3.837 20 5 HHBDRO CC(=O)N1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000506296233 1001336899 /nfs/dbraw/zinc/33/68/99/1001336899.db2.gz YBWDJBDVKIDFSJ-UHFFFAOYSA-N 1 0 419.485 3.502 20 5 HHBDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000497423122 1001355671 /nfs/dbraw/zinc/35/56/71/1001355671.db2.gz XWFULCRSCOCNMV-MRXNPFEDSA-N 1 0 414.506 3.667 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000506471463 1001427258 /nfs/dbraw/zinc/42/72/58/1001427258.db2.gz QGPFZAGDUIWRIC-HOTGVXAUSA-N 1 0 408.930 3.773 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CC[NH+](C3CC3)CC2)cc1 ZINC000506496613 1001439573 /nfs/dbraw/zinc/43/95/73/1001439573.db2.gz RKHBZRCLTVTFNK-UHFFFAOYSA-N 1 0 403.486 3.728 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H](C)O1 ZINC000506838680 1001558935 /nfs/dbraw/zinc/55/89/35/1001558935.db2.gz QBGUAOLBCSMNNU-IYBDPMFKSA-N 1 0 424.501 3.701 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000497983590 1001590603 /nfs/dbraw/zinc/59/06/03/1001590603.db2.gz NZCRITFBQJAOEL-HKUYNNGSSA-N 1 0 417.531 3.749 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)cc1SC ZINC000498115286 1001647334 /nfs/dbraw/zinc/64/73/34/1001647334.db2.gz SXNDQZVVXJDZOH-UHFFFAOYSA-N 1 0 417.531 3.838 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498168645 1001672078 /nfs/dbraw/zinc/67/20/78/1001672078.db2.gz JCOTVIAUHUCZSJ-HNNXBMFYSA-N 1 0 410.499 3.847 20 5 HHBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000498302802 1001767686 /nfs/dbraw/zinc/76/76/86/1001767686.db2.gz FXBLKQIXMYLUFJ-QGZVFWFLSA-N 1 0 404.470 3.880 20 5 HHBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000498302801 1001767727 /nfs/dbraw/zinc/76/77/27/1001767727.db2.gz FXBLKQIXMYLUFJ-KRWDZBQOSA-N 1 0 404.470 3.880 20 5 HHBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498336993 1001783191 /nfs/dbraw/zinc/78/31/91/1001783191.db2.gz YKBFJACOBFZDBX-GOSISDBHSA-N 1 0 404.470 3.737 20 5 HHBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000507166097 1001854592 /nfs/dbraw/zinc/85/45/92/1001854592.db2.gz CJHBBNOTMHXMHP-UHFFFAOYSA-N 1 0 406.442 3.921 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507250310 1001933745 /nfs/dbraw/zinc/93/37/45/1001933745.db2.gz CYTOMDGTOSYMOV-UHFFFAOYSA-N 1 0 416.453 3.648 20 5 HHBDRO COc1cc(CN(C)C[C@@H]2OCCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000507271684 1001954858 /nfs/dbraw/zinc/95/48/58/1001954858.db2.gz CLSSDELTTCLULY-IBGZPJMESA-N 1 0 408.401 3.951 20 5 HHBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498555425 1001971406 /nfs/dbraw/zinc/97/14/06/1001971406.db2.gz QBPAUJQNJSHLEC-ULQDDVLXSA-N 1 0 411.506 3.718 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000507612766 1002218754 /nfs/dbraw/zinc/21/87/54/1002218754.db2.gz ILCHREQUGDMVRY-WIYYLYMNSA-N 1 0 422.529 3.763 20 5 HHBDRO C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000507683457 1002276443 /nfs/dbraw/zinc/27/64/43/1002276443.db2.gz KHMXMPBNCHNLCG-DNVCBOLYSA-N 1 0 403.429 3.929 20 5 HHBDRO COc1cc(C[NH2+]CCc2cc(F)c(F)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000507709249 1002300559 /nfs/dbraw/zinc/30/05/59/1002300559.db2.gz PBFLZYJTNSPODC-UHFFFAOYSA-N 1 0 420.334 3.997 20 5 HHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000507721832 1002309612 /nfs/dbraw/zinc/30/96/12/1002309612.db2.gz RHSPQJJCSOHJMS-UHFFFAOYSA-N 1 0 413.465 3.521 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000507935294 1002469152 /nfs/dbraw/zinc/46/91/52/1002469152.db2.gz WTXKIXQMEHUGFL-FQEVSTJZSA-N 1 0 419.909 3.810 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000508150148 1002685475 /nfs/dbraw/zinc/68/54/75/1002685475.db2.gz OFXFMVLLEXOPLF-QGZVFWFLSA-N 1 0 412.538 3.871 20 5 HHBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000508184707 1002719680 /nfs/dbraw/zinc/71/96/80/1002719680.db2.gz YPUGGSILRRJHEL-UHFFFAOYSA-N 1 0 413.468 3.955 20 5 HHBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000508739742 1003177885 /nfs/dbraw/zinc/17/78/85/1003177885.db2.gz FEAGTNHAQOWVFV-QRVBRYPASA-N 1 0 405.542 3.637 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000499847255 1003183273 /nfs/dbraw/zinc/18/32/73/1003183273.db2.gz QDWVUSZZBNFYGW-QGZVFWFLSA-N 1 0 404.470 3.880 20 5 HHBDRO CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000500002652 1003325250 /nfs/dbraw/zinc/32/52/50/1003325250.db2.gz IDMDDOFNOBQZND-QAPCUYQASA-N 1 0 407.474 3.769 20 5 HHBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCCC34CC[NH+](C)CC4)cc2[N+](=O)[O-])C1 ZINC000509294061 1003688478 /nfs/dbraw/zinc/68/84/78/1003688478.db2.gz NFWLBYRKQCOHDB-QZTJIDSGSA-N 1 0 414.550 3.778 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000511871955 1003851978 /nfs/dbraw/zinc/85/19/78/1003851978.db2.gz GGQSVNYVIMPSAV-NJYVYQBISA-N 1 0 400.500 3.637 20 5 HHBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000500745042 1003933812 /nfs/dbraw/zinc/93/38/12/1003933812.db2.gz QTTHZFKCHWSAHX-UHFFFAOYSA-N 1 0 419.485 3.521 20 5 HHBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000509558480 1003944469 /nfs/dbraw/zinc/94/44/69/1003944469.db2.gz QXEVBFIJUCZERT-MAUKXSAKSA-N 1 0 400.479 3.991 20 5 HHBDRO COc1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509567882 1003950065 /nfs/dbraw/zinc/95/00/65/1003950065.db2.gz GXDFXUOOMSVNBR-VQTJNVASSA-N 1 0 411.502 3.899 20 5 HHBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccco1 ZINC000509596936 1003969883 /nfs/dbraw/zinc/96/98/83/1003969883.db2.gz WEVOIYHQLADQSJ-BEFAXECRSA-N 1 0 400.479 3.991 20 5 HHBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccco1 ZINC000509596938 1003970076 /nfs/dbraw/zinc/97/00/76/1003970076.db2.gz WEVOIYHQLADQSJ-HNAYVOBHSA-N 1 0 400.479 3.991 20 5 HHBDRO COc1ccc(C[NH2+]Cc2cccnc2N(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509601794 1003972417 /nfs/dbraw/zinc/97/24/17/1003972417.db2.gz MSDRIUKZAQSYOY-UHFFFAOYSA-N 1 0 422.485 3.933 20 5 HHBDRO O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512041409 1003975544 /nfs/dbraw/zinc/97/55/44/1003975544.db2.gz MBSDPOMULHDQGB-KRWDZBQOSA-N 1 0 422.407 3.687 20 5 HHBDRO CC1CC[NH+]([C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c2cccs2)CC1 ZINC000512058609 1003990018 /nfs/dbraw/zinc/99/00/18/1003990018.db2.gz OIGOTNFNGCQROK-MRXNPFEDSA-N 1 0 406.483 3.581 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccccc1Cl ZINC000512062763 1003993010 /nfs/dbraw/zinc/99/30/10/1003993010.db2.gz QYSAIFRHXTYKFY-QGZVFWFLSA-N 1 0 408.861 3.782 20 5 HHBDRO CCOc1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000500847833 1004000191 /nfs/dbraw/zinc/00/01/91/1004000191.db2.gz TUUDPZACNUHJLR-NVXWUHKLSA-N 1 0 413.474 3.567 20 5 HHBDRO CCOc1cc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])cc1OCC ZINC000509728467 1004055917 /nfs/dbraw/zinc/05/59/17/1004055917.db2.gz JIDMJUWWXNADLU-UHFFFAOYSA-N 1 0 420.510 3.874 20 5 HHBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000500953437 1004074434 /nfs/dbraw/zinc/07/44/34/1004074434.db2.gz KRSOJCBPGIQKDN-UHFFFAOYSA-N 1 0 420.307 3.870 20 5 HHBDRO CC1CC[NH+](C[C@@H]2CCCN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000512184334 1004086421 /nfs/dbraw/zinc/08/64/21/1004086421.db2.gz XUKJVOMWMJIYHH-IBGZPJMESA-N 1 0 411.550 3.939 20 5 HHBDRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000512236548 1004136769 /nfs/dbraw/zinc/13/67/69/1004136769.db2.gz IJDMDZAONYRSPR-GFCCVEGCSA-N 1 0 422.279 3.847 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)n2)cc1 ZINC000512256687 1004158951 /nfs/dbraw/zinc/15/89/51/1004158951.db2.gz ACQYMRMEUPEMIF-HSZRJFAPSA-N 1 0 419.485 3.743 20 5 HHBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000512278050 1004178861 /nfs/dbraw/zinc/17/88/61/1004178861.db2.gz IOKIDUGWCOGFFA-UHFFFAOYSA-N 1 0 413.522 3.891 20 5 HHBDRO CC(C)CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC[NH+](C)CC1 ZINC000509936455 1004218415 /nfs/dbraw/zinc/21/84/15/1004218415.db2.gz BXICYGMQHYLCOL-UHFFFAOYSA-N 1 0 405.542 3.734 20 5 HHBDRO O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000509971966 1004239713 /nfs/dbraw/zinc/23/97/13/1004239713.db2.gz PUYFLUTYRQLSKY-UHFFFAOYSA-N 1 0 417.893 3.844 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000510480295 1004596355 /nfs/dbraw/zinc/59/63/55/1004596355.db2.gz RRVUVXQPASMMCU-AWEZNQCLSA-N 1 0 410.312 3.614 20 5 HHBDRO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000501743813 1004671339 /nfs/dbraw/zinc/67/13/39/1004671339.db2.gz RANQRBLUKSHJGN-GOSISDBHSA-N 1 0 405.458 3.950 20 5 HHBDRO C[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000501805132 1004746976 /nfs/dbraw/zinc/74/69/76/1004746976.db2.gz MSZFIYGIXICYRU-SJORKVTESA-N 1 0 407.474 3.740 20 5 HHBDRO CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1C ZINC000510611896 1004753254 /nfs/dbraw/zinc/75/32/54/1004753254.db2.gz BLPRXTJZLFSTOU-OAHLLOKOSA-N 1 0 400.479 3.983 20 5 HHBDRO C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510622338 1004759823 /nfs/dbraw/zinc/75/98/23/1004759823.db2.gz KFNKBAVRKQPWLE-GOEBONIOSA-N 1 0 408.930 3.743 20 5 HHBDRO CCOc1cc(N2CC[NH+](Cc3ccccc3-c3ccnn3C)CC2)ccc1[N+](=O)[O-] ZINC000513368267 1004929135 /nfs/dbraw/zinc/92/91/35/1004929135.db2.gz UUYXEBMLMBRZOR-UHFFFAOYSA-N 1 0 421.501 3.716 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NC[C@H](C3CC3)[NH+](C)C)cc2[N+](=O)[O-])n1 ZINC000510929136 1004938337 /nfs/dbraw/zinc/93/83/37/1004938337.db2.gz BVGZDCVGFAAQST-OAHLLOKOSA-N 1 0 406.533 3.581 20 5 HHBDRO CCOC(=O)c1cc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc([N+](=O)[O-])c1 ZINC000502282869 1004992325 /nfs/dbraw/zinc/99/23/25/1004992325.db2.gz KKEGAXAOBAXSMY-UHFFFAOYSA-N 1 0 417.506 3.544 20 5 HHBDRO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCCC[N@@H+]3Cc3cccc(Cl)c3)nn21 ZINC000502352946 1005030157 /nfs/dbraw/zinc/03/01/57/1005030157.db2.gz MUTFRIYTYWWZFO-INIZCTEOSA-N 1 0 400.870 3.758 20 5 HHBDRO COC1CC[NH+](C2(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CCCC2)CC1 ZINC000502448141 1005079459 /nfs/dbraw/zinc/07/94/59/1005079459.db2.gz VDSOFZRTYKHRGL-UHFFFAOYSA-N 1 0 417.531 3.963 20 5 HHBDRO COc1ccc(CSCC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000511290161 1005109828 /nfs/dbraw/zinc/10/98/28/1005109828.db2.gz SACRKUHQEYMULT-DOTOQJQBSA-N 1 0 421.563 3.606 20 5 HHBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000502627390 1005147899 /nfs/dbraw/zinc/14/78/99/1005147899.db2.gz XJUGDEUMXMADBG-UHFFFAOYSA-N 1 0 407.474 3.694 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000513828233 1005148537 /nfs/dbraw/zinc/14/85/37/1005148537.db2.gz FYLXIQIKJLEJSZ-KELGSRBJSA-N 1 0 423.557 3.779 20 5 HHBDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000511476372 1005192793 /nfs/dbraw/zinc/19/27/93/1005192793.db2.gz HQZMSTONSMRNJX-HZPDHXFCSA-N 1 0 417.531 3.686 20 5 HHBDRO CC(C)([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NCC1CCCCC1 ZINC000502732824 1005194711 /nfs/dbraw/zinc/19/47/11/1005194711.db2.gz OFNVFCZUPAEAQN-UHFFFAOYSA-N 1 0 414.506 3.857 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511552152 1005221508 /nfs/dbraw/zinc/22/15/08/1005221508.db2.gz KNZDUHUSBGOMCU-XMSQKQJNSA-N 1 0 410.518 3.689 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000514104064 1005266920 /nfs/dbraw/zinc/26/69/20/1005266920.db2.gz HEGHGCSAGVCIRE-QHCPKHFHSA-N 1 0 419.529 3.980 20 5 HHBDRO O=C([C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCOCC1 ZINC000514105246 1005267790 /nfs/dbraw/zinc/26/77/90/1005267790.db2.gz QARLEPFSXBNPKO-IBGZPJMESA-N 1 0 415.515 3.537 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000514152513 1005291406 /nfs/dbraw/zinc/29/14/06/1005291406.db2.gz VZKOODGMAWVEJH-UHFFFAOYSA-N 1 0 420.416 3.590 20 5 HHBDRO CCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502955322 1005291628 /nfs/dbraw/zinc/29/16/28/1005291628.db2.gz KBWIVXBCECSAJV-QGZVFWFLSA-N 1 0 412.490 3.971 20 5 HHBDRO CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000514186137 1005303476 /nfs/dbraw/zinc/30/34/76/1005303476.db2.gz NGSHYOKLIYPLCV-UHFFFAOYSA-N 1 0 419.428 3.933 20 5 HHBDRO COc1ccc([C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[NH+]2CCCC2)cc1 ZINC000503003525 1005311416 /nfs/dbraw/zinc/31/14/16/1005311416.db2.gz WLMGTBOJPCQXPS-NRFANRHFSA-N 1 0 408.458 3.652 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514231144 1005323610 /nfs/dbraw/zinc/32/36/10/1005323610.db2.gz STTRZSSCMARLCU-UHFFFAOYSA-N 1 0 423.441 3.997 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000503926709 1005513494 /nfs/dbraw/zinc/51/34/94/1005513494.db2.gz GYCKVJHUWAWMEY-UHFFFAOYSA-N 1 0 410.902 3.605 20 5 HHBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@@H]3C)cc2)CC1 ZINC000504275406 1005587819 /nfs/dbraw/zinc/58/78/19/1005587819.db2.gz WHFXPIZEICKCMO-KRWDZBQOSA-N 1 0 408.502 3.717 20 5 HHBDRO CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000504394140 1005616733 /nfs/dbraw/zinc/61/67/33/1005616733.db2.gz LPHKDGDYVISAPX-KRWDZBQOSA-N 1 0 411.506 3.564 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1c1ccccc1 ZINC000534020900 1005992156 /nfs/dbraw/zinc/99/21/56/1005992156.db2.gz YGHRQIWZLFVPFN-IEBWSBKVSA-N 1 0 408.483 3.894 20 5 HHBDRO COc1ccccc1C[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000531129767 1006007660 /nfs/dbraw/zinc/00/76/60/1006007660.db2.gz LDLPQYGSRZVLRE-YJBOKZPZSA-N 1 0 415.490 3.796 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1cccc(OC)c1 ZINC000514511590 1006014566 /nfs/dbraw/zinc/01/45/66/1006014566.db2.gz INHAOQXTKOEHPG-LJQANCHMSA-N 1 0 416.478 3.817 20 5 HHBDRO CC[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCc2ccccc2C1 ZINC000534064985 1006036868 /nfs/dbraw/zinc/03/68/68/1006036868.db2.gz LURPKTGMLGUHLA-IBGZPJMESA-N 1 0 406.486 3.572 20 5 HHBDRO CC(C)OCC[NH+]1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000531347160 1006138884 /nfs/dbraw/zinc/13/88/84/1006138884.db2.gz HNCDREZTLJLGPV-UHFFFAOYSA-N 1 0 404.536 3.697 20 5 HHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](Cc2ccccc2OC)C(C)C)c([N+](=O)[O-])c1 ZINC000531368611 1006153770 /nfs/dbraw/zinc/15/37/70/1006153770.db2.gz UUJUZMJYIQBKFS-DNVCBOLYSA-N 1 0 415.490 3.796 20 5 HHBDRO COc1ccc(C[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000534172913 1006157097 /nfs/dbraw/zinc/15/70/97/1006157097.db2.gz HOKVSWHGKGOQRU-CVEARBPZSA-N 1 0 415.490 3.750 20 5 HHBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000514920492 1006205660 /nfs/dbraw/zinc/20/56/60/1006205660.db2.gz NEGBNMOAVZCBRI-UHFFFAOYSA-N 1 0 416.909 3.831 20 5 HHBDRO NC(=O)c1ccc(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cn1 ZINC000531486617 1006225223 /nfs/dbraw/zinc/22/52/23/1006225223.db2.gz NNNHVUXYNYDUOJ-UHFFFAOYSA-N 1 0 412.833 3.824 20 5 HHBDRO CCc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000534361071 1006325510 /nfs/dbraw/zinc/32/55/10/1006325510.db2.gz DEPRNUZWKPEZQH-SFTDATJTSA-N 1 0 416.566 3.566 20 5 HHBDRO COc1cc(C[NH2+][C@H](C)Cc2cc(C)n[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531759752 1006403576 /nfs/dbraw/zinc/40/35/76/1006403576.db2.gz JDBPPGTYXOEGFS-OAHLLOKOSA-N 1 0 410.474 3.935 20 5 HHBDRO CCCc1[nH]nc(C(=O)Nc2ccc3c(ccn3CC[NH+](CC)CC)c2)c1[N+](=O)[O-] ZINC000531802548 1006439115 /nfs/dbraw/zinc/43/91/15/1006439115.db2.gz CFOOIUNUPYFVGM-UHFFFAOYSA-N 1 0 412.494 3.819 20 5 HHBDRO C[C@@H](C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000515493608 1006498904 /nfs/dbraw/zinc/49/89/04/1006498904.db2.gz SDYKJFSDFIMTFI-KZNAEPCWSA-N 1 0 411.502 3.624 20 5 HHBDRO C[C@H](C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000515493607 1006499265 /nfs/dbraw/zinc/49/92/65/1006499265.db2.gz SDYKJFSDFIMTFI-KURKYZTESA-N 1 0 411.502 3.624 20 5 HHBDRO COc1cccc([C@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)[NH+]2CCCC2)c1 ZINC000534540663 1006532460 /nfs/dbraw/zinc/53/24/60/1006532460.db2.gz PCPBZPIRXTYTNH-QFIPXVFZSA-N 1 0 424.501 3.508 20 5 HHBDRO O=C(c1cc(NCCC[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000515606461 1006557248 /nfs/dbraw/zinc/55/72/48/1006557248.db2.gz OFBRCEIKBRXBLP-UHFFFAOYSA-N 1 0 408.502 3.691 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000515762658 1006653983 /nfs/dbraw/zinc/65/39/83/1006653983.db2.gz JVOCQMOZAKUCQM-CALCHBBNSA-N 1 0 417.531 3.551 20 5 HHBDRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000532139477 1006666874 /nfs/dbraw/zinc/66/68/74/1006666874.db2.gz ZRMICHBNPCGMGA-CYBMUJFWSA-N 1 0 412.895 3.953 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000538428160 1006694396 /nfs/dbraw/zinc/69/43/96/1006694396.db2.gz IEHFEESXMCUVDR-ICSRJNTNSA-N 1 0 411.502 3.841 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000538428162 1006694748 /nfs/dbraw/zinc/69/47/48/1006694748.db2.gz IEHFEESXMCUVDR-QUCCMNQESA-N 1 0 411.502 3.841 20 5 HHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000532187462 1006706313 /nfs/dbraw/zinc/70/63/13/1006706313.db2.gz SMIIOIIJNMJQPS-FXAWDEMLSA-N 1 0 402.564 3.556 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000532194808 1006712408 /nfs/dbraw/zinc/71/24/08/1006712408.db2.gz LLOJZXKELUEXNJ-CYBMUJFWSA-N 1 0 406.280 3.746 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]([NH2+]CCCF)c1ccccc1 ZINC000532262163 1006755707 /nfs/dbraw/zinc/75/57/07/1006755707.db2.gz SDYYPYDDMGUZFI-INIZCTEOSA-N 1 0 410.243 3.986 20 5 HHBDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000532484209 1006924021 /nfs/dbraw/zinc/92/40/21/1006924021.db2.gz WSHJXZCPLRQCSR-KRWDZBQOSA-N 1 0 411.458 3.609 20 5 HHBDRO COc1cccc([C@H]2[C@H](Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC[N@@H+]2C2CC2)c1 ZINC000538674869 1006959283 /nfs/dbraw/zinc/95/92/83/1006959283.db2.gz GLJVFSXHUAUBEN-JPYJTQIMSA-N 1 0 422.485 3.878 20 5 HHBDRO CCOC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000538727539 1007006568 /nfs/dbraw/zinc/00/65/68/1007006568.db2.gz ZCPQSRQXICCFLR-CYBMUJFWSA-N 1 0 406.401 3.793 20 5 HHBDRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000534961375 1007010326 /nfs/dbraw/zinc/01/03/26/1007010326.db2.gz QCACANUHCWZFHA-UHFFFAOYSA-N 1 0 410.499 3.920 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000538733141 1007015225 /nfs/dbraw/zinc/01/52/25/1007015225.db2.gz UATYPKXUVIIAON-YOEHRIQHSA-N 1 0 400.353 3.751 20 5 HHBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]CC3(CO)COC3)cc2[N+](=O)[O-])c1 ZINC000532617611 1007042084 /nfs/dbraw/zinc/04/20/84/1007042084.db2.gz ILVAWSONQNGCRA-UHFFFAOYSA-N 1 0 400.475 3.917 20 5 HHBDRO Cc1cccnc1[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000532709927 1007123055 /nfs/dbraw/zinc/12/30/55/1007123055.db2.gz HAYHLBHIJPLNTQ-QGZVFWFLSA-N 1 0 421.295 3.986 20 5 HHBDRO CCc1nc2ccccc2n1C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000538955630 1007243103 /nfs/dbraw/zinc/24/31/03/1007243103.db2.gz TWIRDHYWNOKKFW-LJQANCHMSA-N 1 0 424.501 3.584 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)cc1[N+](=O)[O-] ZINC000516795975 1007293308 /nfs/dbraw/zinc/29/33/08/1007293308.db2.gz ZTDPRKIOEUEREF-PNPHSEOMSA-N 1 0 402.451 3.825 20 5 HHBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000539021163 1007318009 /nfs/dbraw/zinc/31/80/09/1007318009.db2.gz UQCZAWCRPVFECR-INIZCTEOSA-N 1 0 403.504 3.539 20 5 HHBDRO CCOc1ccc(NC(=O)CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000532950150 1007319866 /nfs/dbraw/zinc/31/98/66/1007319866.db2.gz PJSMTFFKMZHGHL-GOSISDBHSA-N 1 0 418.538 3.520 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000532958395 1007325219 /nfs/dbraw/zinc/32/52/19/1007325219.db2.gz HYWIYJFEUQYPLN-UHFFFAOYSA-N 1 0 419.522 3.992 20 5 HHBDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000535295400 1007347105 /nfs/dbraw/zinc/34/71/05/1007347105.db2.gz PNAMCRLLFFAADK-UHFFFAOYSA-N 1 0 404.898 3.687 20 5 HHBDRO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000539053796 1007349297 /nfs/dbraw/zinc/34/92/97/1007349297.db2.gz HAASIVHQIIIFDL-ZWKOTPCHSA-N 1 0 407.470 3.724 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000539064472 1007357378 /nfs/dbraw/zinc/35/73/78/1007357378.db2.gz KNPZVYMRGPHWRI-WBVHZDCISA-N 1 0 412.515 3.854 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000539075576 1007366005 /nfs/dbraw/zinc/36/60/05/1007366005.db2.gz IIZCOBPXRHUUPK-CTNGQTDRSA-N 1 0 401.551 3.931 20 5 HHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000535326602 1007379765 /nfs/dbraw/zinc/37/97/65/1007379765.db2.gz QLCKDQIOVRZRPR-UHFFFAOYSA-N 1 0 403.442 3.874 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000535375728 1007437544 /nfs/dbraw/zinc/43/75/44/1007437544.db2.gz XIUOJOAVBAIYOL-GUYCJALGSA-N 1 0 419.865 3.737 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000517191143 1007495278 /nfs/dbraw/zinc/49/52/78/1007495278.db2.gz SSVZKIZSGVLHBD-PIPMEXSNSA-N 1 0 405.502 3.843 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000539220501 1007512405 /nfs/dbraw/zinc/51/24/05/1007512405.db2.gz YKAKSIGGIDMKDU-LBPRGKRZSA-N 1 0 409.389 3.884 20 5 HHBDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1OC ZINC000539224836 1007516857 /nfs/dbraw/zinc/51/68/57/1007516857.db2.gz IWRAHYYQGOZGCI-LLVKDONJSA-N 1 0 423.853 3.563 20 5 HHBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1OC(F)F ZINC000539253089 1007546861 /nfs/dbraw/zinc/54/68/61/1007546861.db2.gz BTZAXSWVRPRJGN-GFCCVEGCSA-N 1 0 423.372 3.604 20 5 HHBDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(C)C ZINC000539257614 1007551379 /nfs/dbraw/zinc/55/13/79/1007551379.db2.gz VJCRGGZFQBJUML-HNNXBMFYSA-N 1 0 401.463 3.988 20 5 HHBDRO O=C(CC[NH+]1CCC(Oc2ccc(F)cc2F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533241072 1007561396 /nfs/dbraw/zinc/56/13/96/1007561396.db2.gz MMHCFLPONGAMTL-UHFFFAOYSA-N 1 0 405.401 3.745 20 5 HHBDRO C[N@H+](Cc1ccccc1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000517320021 1007563272 /nfs/dbraw/zinc/56/32/72/1007563272.db2.gz YDPBYSNHZBBASA-UHFFFAOYSA-N 1 0 424.501 3.614 20 5 HHBDRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000539282191 1007577682 /nfs/dbraw/zinc/57/76/82/1007577682.db2.gz WEABRHMSCZNNIC-CHWSQXEVSA-N 1 0 406.280 3.885 20 5 HHBDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000533266437 1007582537 /nfs/dbraw/zinc/58/25/37/1007582537.db2.gz GQMVAZFLYQXPOP-QFIPXVFZSA-N 1 0 419.485 3.655 20 5 HHBDRO C[N@@H+]1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H]1c1ccc(Cl)cc1 ZINC000535542677 1007583048 /nfs/dbraw/zinc/58/30/48/1007583048.db2.gz OQUJYWDZVDSKFL-QRWLVFNGSA-N 1 0 400.866 3.990 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000533296284 1007611790 /nfs/dbraw/zinc/61/17/90/1007611790.db2.gz ZHTYPOUOALBMKN-LJQANCHMSA-N 1 0 410.518 3.828 20 5 HHBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000533297816 1007612839 /nfs/dbraw/zinc/61/28/39/1007612839.db2.gz FUNGVXXWUDFVDJ-PCKAHOCUSA-N 1 0 408.930 3.772 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(c4c[nH]c5ncccc45)CC3)n2)cc1 ZINC000533382200 1007695081 /nfs/dbraw/zinc/69/50/81/1007695081.db2.gz DDVGQXRRHWXJLJ-UHFFFAOYSA-N 1 0 404.430 3.901 20 5 HHBDRO COc1cccc(NC2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000533448072 1007762978 /nfs/dbraw/zinc/76/29/78/1007762978.db2.gz QHUMRKIJBYRECS-UHFFFAOYSA-N 1 0 412.490 3.817 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000533530241 1007850684 /nfs/dbraw/zinc/85/06/84/1007850684.db2.gz FRJUNSXGGIVXAM-UHFFFAOYSA-N 1 0 412.490 3.817 20 5 HHBDRO COc1ccc(NC(=O)CC[NH+]2CCC(Nc3cccc(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000533530608 1007851351 /nfs/dbraw/zinc/85/13/51/1007851351.db2.gz RDMWYOORDZANQR-UHFFFAOYSA-N 1 0 412.490 3.817 20 5 HHBDRO CCOc1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)c([N+](=O)[O-])cc1OC ZINC000517643214 1007853863 /nfs/dbraw/zinc/85/38/63/1007853863.db2.gz VBGCSWGJSUIYFE-HNNXBMFYSA-N 1 0 407.511 3.633 20 5 HHBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000517668638 1007881932 /nfs/dbraw/zinc/88/19/32/1007881932.db2.gz UJKVDNIDAWPBPN-AWEZNQCLSA-N 1 0 402.882 3.542 20 5 HHBDRO Cc1cc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535986249 1008025208 /nfs/dbraw/zinc/02/52/08/1008025208.db2.gz BNFACCYVMKIAPW-KRWDZBQOSA-N 1 0 418.501 3.815 20 5 HHBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000517894731 1008042678 /nfs/dbraw/zinc/04/26/78/1008042678.db2.gz PEQYYGVYSQVXKB-LJQANCHMSA-N 1 0 402.882 3.613 20 5 HHBDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000533760517 1008086337 /nfs/dbraw/zinc/08/63/37/1008086337.db2.gz DLXQDIGEIPYBAR-SFHVURJKSA-N 1 0 407.474 3.664 20 5 HHBDRO COc1cc(C[NH2+]CCc2ncc(C)cn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000536094555 1008116919 /nfs/dbraw/zinc/11/69/19/1008116919.db2.gz GNPFVBPFXKBVGG-UHFFFAOYSA-N 1 0 408.458 3.613 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)[C@H]1c1cccs1 ZINC000533864642 1008167719 /nfs/dbraw/zinc/16/77/19/1008167719.db2.gz QGKCCRKXIRYIIV-YWZLYKJASA-N 1 0 414.531 3.807 20 5 HHBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000539898071 1008171287 /nfs/dbraw/zinc/17/12/87/1008171287.db2.gz JXBDPOKGWSXOOZ-QGZVFWFLSA-N 1 0 401.438 3.826 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1C ZINC000518318389 1008258572 /nfs/dbraw/zinc/25/85/72/1008258572.db2.gz UPHXAFRCZZABDE-INIZCTEOSA-N 1 0 405.520 3.619 20 5 HHBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000540079507 1008275813 /nfs/dbraw/zinc/27/58/13/1008275813.db2.gz DYNOSJVBNDGQDM-UHFFFAOYSA-N 1 0 409.490 3.580 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000540083701 1008278976 /nfs/dbraw/zinc/27/89/76/1008278976.db2.gz CNXNCVIKDBYPEV-CQSZACIVSA-N 1 0 412.421 3.938 20 5 HHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)COc1ccccc1Br ZINC000540159694 1008315832 /nfs/dbraw/zinc/31/58/32/1008315832.db2.gz LDVNSMAOIUXBIU-HOCLYGCPSA-N 1 0 423.307 3.708 20 5 HHBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000540160124 1008316441 /nfs/dbraw/zinc/31/64/41/1008316441.db2.gz JJXRUCFBLBBGPQ-RDJZCZTQSA-N 1 0 409.280 3.838 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccccc2OC(F)F)c([N+](=O)[O-])c1 ZINC000540348072 1008391515 /nfs/dbraw/zinc/39/15/15/1008391515.db2.gz PJVOQOCQIWUWII-LBPRGKRZSA-N 1 0 409.389 3.884 20 5 HHBDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCC(C)C ZINC000540371175 1008403900 /nfs/dbraw/zinc/40/39/00/1008403900.db2.gz ZVHJHMZWGVDWNO-HNNXBMFYSA-N 1 0 401.463 3.928 20 5 HHBDRO COC1CC[NH+](C2(CNCc3cc([N+](=O)[O-])ccc3OC(F)F)CCCC2)CC1 ZINC000518798253 1008423751 /nfs/dbraw/zinc/42/37/51/1008423751.db2.gz VAQGFWUELIGWTF-UHFFFAOYSA-N 1 0 413.465 3.709 20 5 HHBDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1)C[C@H]1CCCCO1 ZINC000540420114 1008425443 /nfs/dbraw/zinc/42/54/43/1008425443.db2.gz YFSBYKANCMNTMV-GOSISDBHSA-N 1 0 400.479 3.955 20 5 HHBDRO COc1cc(C[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000540428806 1008429517 /nfs/dbraw/zinc/42/95/17/1008429517.db2.gz CSBZITACOBJPEJ-GFCCVEGCSA-N 1 0 419.388 3.636 20 5 HHBDRO COc1cccc(NC(=O)[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000518845780 1008442984 /nfs/dbraw/zinc/44/29/84/1008442984.db2.gz RMIUDVMYLUBJSY-QFIPXVFZSA-N 1 0 421.453 3.952 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000518857820 1008448442 /nfs/dbraw/zinc/44/84/42/1008448442.db2.gz BYXRHGOKPHFETB-CYBMUJFWSA-N 1 0 407.854 3.595 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000518871079 1008454299 /nfs/dbraw/zinc/45/42/99/1008454299.db2.gz UJVVXDXAWISVCE-LMMKCTJWSA-N 1 0 400.523 3.672 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000540544751 1008475322 /nfs/dbraw/zinc/47/53/22/1008475322.db2.gz KLQMFONNHQLMNF-HXUWFJFHSA-N 1 0 404.470 3.998 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000549028598 1008597348 /nfs/dbraw/zinc/59/73/48/1008597348.db2.gz MCYMULRKKVEEOM-FQEVSTJZSA-N 1 0 413.474 3.569 20 5 HHBDRO COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[NH+](C)C)c1 ZINC000549088036 1008652037 /nfs/dbraw/zinc/65/20/37/1008652037.db2.gz QRAURGPXVBFCMP-KRWDZBQOSA-N 1 0 411.380 3.655 20 5 HHBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000549097512 1008662451 /nfs/dbraw/zinc/66/24/51/1008662451.db2.gz DSNZQRWCXRODAA-SFHVURJKSA-N 1 0 412.538 3.966 20 5 HHBDRO CCN1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549116257 1008683105 /nfs/dbraw/zinc/68/31/05/1008683105.db2.gz CRJRSEBZHMVLCB-PXNSSMCTSA-N 1 0 409.408 3.946 20 5 HHBDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543183309 1008757733 /nfs/dbraw/zinc/75/77/33/1008757733.db2.gz NZYVNVGVWMJRKB-IBGZPJMESA-N 1 0 424.494 3.591 20 5 HHBDRO CCc1ccc([C@H]([NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000549229549 1008799374 /nfs/dbraw/zinc/79/93/74/1008799374.db2.gz XZMQVDUEQSBYAQ-ZPMCFJSWSA-N 1 0 414.502 3.997 20 5 HHBDRO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000519563353 1008906695 /nfs/dbraw/zinc/90/66/95/1008906695.db2.gz SXEQIPRSGUYYJU-CXAGYDPISA-N 1 0 405.401 3.589 20 5 HHBDRO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000519563408 1008907328 /nfs/dbraw/zinc/90/73/28/1008907328.db2.gz SXEQIPRSGUYYJU-DYVFJYSZSA-N 1 0 405.401 3.589 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 ZINC000543411158 1009004775 /nfs/dbraw/zinc/00/47/75/1009004775.db2.gz IVWRYGPMZXDYEZ-HSQYWUDLSA-N 1 0 404.470 3.650 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@@H]2CCc2ccccc2)cc1 ZINC000545949148 1009014699 /nfs/dbraw/zinc/01/46/99/1009014699.db2.gz SWLWKEPTPYPECD-NQIIRXRSSA-N 1 0 402.516 3.760 20 5 HHBDRO CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519917807 1009075172 /nfs/dbraw/zinc/07/51/72/1009075172.db2.gz KLZCHWBTFMHUFQ-QGZVFWFLSA-N 1 0 409.280 3.619 20 5 HHBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000519940026 1009093024 /nfs/dbraw/zinc/09/30/24/1009093024.db2.gz KXUQKTLNXFKNEL-INIZCTEOSA-N 1 0 402.520 3.710 20 5 HHBDRO C[C@H]([NH2+]C1(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000546072889 1009095031 /nfs/dbraw/zinc/09/50/31/1009095031.db2.gz FPBLYKWDDYFTHS-KRWDZBQOSA-N 1 0 417.531 3.678 20 5 HHBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000543561708 1009168155 /nfs/dbraw/zinc/16/81/55/1009168155.db2.gz VOMKZDGIPUUNPH-MLGOLLRUSA-N 1 0 406.895 3.885 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@H]3CN(Cc4ccccc4)CCO3)no2)c1 ZINC000549550057 1009168378 /nfs/dbraw/zinc/16/83/78/1009168378.db2.gz GCQBJNSWDPQDKE-LJQANCHMSA-N 1 0 410.430 3.617 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[NH+](C)C)cc1 ZINC000520065089 1009227148 /nfs/dbraw/zinc/22/71/48/1009227148.db2.gz ATHCNVKXJUVHBB-JOCHJYFZSA-N 1 0 410.518 3.539 20 5 HHBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000520094087 1009252209 /nfs/dbraw/zinc/25/22/09/1009252209.db2.gz CQCFHYHJCFDCDR-LJQANCHMSA-N 1 0 402.882 3.613 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)cc2[N+](=O)[O-])n1 ZINC000520134249 1009287009 /nfs/dbraw/zinc/28/70/09/1009287009.db2.gz PXCLJYJOFHFFSC-CQSZACIVSA-N 1 0 420.560 3.971 20 5 HHBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549718032 1009346196 /nfs/dbraw/zinc/34/61/96/1009346196.db2.gz QRDBPSMZIVWKDN-LJQANCHMSA-N 1 0 408.376 3.930 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000543785377 1009355453 /nfs/dbraw/zinc/35/54/53/1009355453.db2.gz TVYRRFHXNOEPJN-XJKSGUPXSA-N 1 0 405.401 3.589 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)[NH+]2CCCC2)c1 ZINC000543886134 1009461664 /nfs/dbraw/zinc/46/16/64/1009461664.db2.gz WLJMTPFLVADFKO-LJQANCHMSA-N 1 0 414.462 3.571 20 5 HHBDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[NH+](C)C)cc1 ZINC000520449759 1009562152 /nfs/dbraw/zinc/56/21/52/1009562152.db2.gz UPFGRQWDGGHZDX-HXUWFJFHSA-N 1 0 410.474 3.896 20 5 HHBDRO O=C(CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1cccc2ccccc21 ZINC000550026722 1009624351 /nfs/dbraw/zinc/62/43/51/1009624351.db2.gz ACFUYHGJTHKHLC-UHFFFAOYSA-N 1 0 404.470 3.899 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)c1 ZINC000544110438 1009720530 /nfs/dbraw/zinc/72/05/30/1009720530.db2.gz MEXHBMIRHHTGHW-APWZRJJASA-N 1 0 421.284 3.838 20 5 HHBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000520719270 1009787701 /nfs/dbraw/zinc/78/77/01/1009787701.db2.gz APRPXSIHBQSGQC-UHFFFAOYSA-N 1 0 416.909 3.689 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]CCc2cc3ccccc3s2)cc1[N+](=O)[O-] ZINC000550273509 1009823603 /nfs/dbraw/zinc/82/36/03/1009823603.db2.gz RYQIJZWDBCMJTH-UHFFFAOYSA-N 1 0 400.456 3.694 20 5 HHBDRO CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546889705 1009849911 /nfs/dbraw/zinc/84/99/11/1009849911.db2.gz NEOUXWSRPOMCMD-FQEVSTJZSA-N 1 0 408.502 3.906 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000520966458 1010010847 /nfs/dbraw/zinc/01/08/47/1010010847.db2.gz MXBGOYGDXMKELZ-LJQANCHMSA-N 1 0 401.438 3.700 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000550555509 1010023527 /nfs/dbraw/zinc/02/35/27/1010023527.db2.gz JZBUNQHUGQKVGN-UHFFFAOYSA-N 1 0 412.328 3.858 20 5 HHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cnn1-c1ccc(F)cc1 ZINC000544433076 1010057162 /nfs/dbraw/zinc/05/71/62/1010057162.db2.gz MPLVYCZFXZZCQS-LHSJRXKWSA-N 1 0 423.448 3.684 20 5 HHBDRO Cc1sc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)nc1-c1ccc(Cl)cc1 ZINC000544471617 1010095574 /nfs/dbraw/zinc/09/55/74/1010095574.db2.gz XAGFWMMNQYTBCN-BZNIZROVSA-N 1 0 421.910 3.588 20 5 HHBDRO COc1ccc(C[NH+]2CCC(CNc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC2)cc1 ZINC000521100668 1010120517 /nfs/dbraw/zinc/12/05/17/1010120517.db2.gz UYMDPBJGHFDCOP-UHFFFAOYSA-N 1 0 424.501 3.812 20 5 HHBDRO CCC(CC)(CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000521118672 1010139815 /nfs/dbraw/zinc/13/98/15/1010139815.db2.gz IMPXENRYKRYDEI-HNNXBMFYSA-N 1 0 420.535 3.564 20 5 HHBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000544525521 1010153920 /nfs/dbraw/zinc/15/39/20/1010153920.db2.gz HYNBZOJXZFJLRT-OXJNMPFZSA-N 1 0 417.437 3.533 20 5 HHBDRO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000544570667 1010198916 /nfs/dbraw/zinc/19/89/16/1010198916.db2.gz QNKRPYFNHJKRDD-UHOSZYNNSA-N 1 0 402.516 3.931 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000544574359 1010203236 /nfs/dbraw/zinc/20/32/36/1010203236.db2.gz RZVUKAPKNSQMLO-RTBURBONSA-N 1 0 408.907 3.948 20 5 HHBDRO C[NH+](C)CCCOc1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000547269705 1010216203 /nfs/dbraw/zinc/21/62/03/1010216203.db2.gz DCACWRISMWXYGR-UHFFFAOYSA-N 1 0 417.481 3.658 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000544592630 1010218949 /nfs/dbraw/zinc/21/89/49/1010218949.db2.gz HNYGAZCSGIJCME-UHFFFAOYSA-N 1 0 405.458 3.910 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000544629986 1010252929 /nfs/dbraw/zinc/25/29/29/1010252929.db2.gz CJYGVTCWLUDQQW-GOSISDBHSA-N 1 0 405.401 3.790 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])Nc1ccc2[nH]c(CCN3CCOCC3)[nH+]c2c1 ZINC000547363255 1010271313 /nfs/dbraw/zinc/27/13/13/1010271313.db2.gz QQUSJELPPHKWKM-QGZVFWFLSA-N 1 0 423.517 3.779 20 5 HHBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000548032325 1010508362 /nfs/dbraw/zinc/50/83/62/1010508362.db2.gz RLXUNXOJEUOIKT-UHFFFAOYSA-N 1 0 413.468 3.906 20 5 HHBDRO C[NH+]1CCN(c2ccccc2-c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)CC1 ZINC000544964771 1010524298 /nfs/dbraw/zinc/52/42/98/1010524298.db2.gz DQBRKLDWEUGIDR-UHFFFAOYSA-N 1 0 404.430 3.545 20 5 HHBDRO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000548394841 1010611865 /nfs/dbraw/zinc/61/18/65/1010611865.db2.gz PWCJETWHLBUZPH-QZTJIDSGSA-N 1 0 407.470 3.724 20 5 HHBDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000548395092 1010612743 /nfs/dbraw/zinc/61/27/43/1010612743.db2.gz GTFQAKYEIYIYIX-PZJWPPBQSA-N 1 0 402.516 3.820 20 5 HHBDRO COc1ccc(-c2ccc(CNCC3([NH+]4CCCC4)CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000521827412 1010644006 /nfs/dbraw/zinc/64/40/06/1010644006.db2.gz GLBVYVGURDUODM-UHFFFAOYSA-N 1 0 415.490 3.598 20 5 HHBDRO CCOC(=O)c1ccnc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1[N+](=O)[O-] ZINC000551551133 1010655820 /nfs/dbraw/zinc/65/58/20/1010655820.db2.gz SWHFTIREAYUYGF-UHFFFAOYSA-N 1 0 424.501 3.659 20 5 HHBDRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000551616366 1010699954 /nfs/dbraw/zinc/69/99/54/1010699954.db2.gz YWPSGRUIWUNOJJ-JXFKEZNVSA-N 1 0 406.454 3.774 20 5 HHBDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2)CC1 ZINC000551676183 1010735728 /nfs/dbraw/zinc/73/57/28/1010735728.db2.gz DEOABOUALKIYFR-UHFFFAOYSA-N 1 0 403.866 3.651 20 5 HHBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[C@@]12CCCO2 ZINC000545353513 1010745223 /nfs/dbraw/zinc/74/52/23/1010745223.db2.gz NLSUVAXNTFZAAJ-HBMCJLEFSA-N 1 0 402.447 3.680 20 5 HHBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[C@]12CCCO2 ZINC000545353516 1010745772 /nfs/dbraw/zinc/74/57/72/1010745772.db2.gz NLSUVAXNTFZAAJ-PWRODBHTSA-N 1 0 402.447 3.680 20 5 HHBDRO CCCCN(C(=O)COc1ccc([N+](=O)[O-])c(OC)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000522004862 1010755432 /nfs/dbraw/zinc/75/54/32/1010755432.db2.gz FAPSQERQYVFQIB-UHFFFAOYSA-N 1 0 421.538 3.920 20 5 HHBDRO CC(C)C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000522054580 1010782986 /nfs/dbraw/zinc/78/29/86/1010782986.db2.gz ABABZMRDPKTZDU-WMZOPIPTSA-N 1 0 405.520 3.639 20 5 HHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000522763007 1011202158 /nfs/dbraw/zinc/20/21/58/1011202158.db2.gz MRCJOGRRXQQZPV-UHFFFAOYSA-N 1 0 415.921 3.958 20 5 HHBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000522810608 1011243780 /nfs/dbraw/zinc/24/37/80/1011243780.db2.gz RHAUSMAUMJXUGE-FGTMMUONSA-N 1 0 402.539 3.537 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000540598163 1011253862 /nfs/dbraw/zinc/25/38/62/1011253862.db2.gz OYXHLXCZJPOCHN-QGZVFWFLSA-N 1 0 403.504 3.687 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536172494 1011305121 /nfs/dbraw/zinc/30/51/21/1011305121.db2.gz GFHQLWCARNVXSU-IIBYNOLFSA-N 1 0 406.486 3.645 20 5 HHBDRO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000536349786 1011556435 /nfs/dbraw/zinc/55/64/35/1011556435.db2.gz QYDYCAJETQCGOD-AEFFLSMTSA-N 1 0 418.291 3.841 20 5 HHBDRO C[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540910483 1011580835 /nfs/dbraw/zinc/58/08/35/1011580835.db2.gz FEPDXVTZTRVKMT-MJGOQNOKSA-N 1 0 408.502 3.573 20 5 HHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000541055249 1011696363 /nfs/dbraw/zinc/69/63/63/1011696363.db2.gz XEVCSMBOBLPEEV-SCTDSRPQSA-N 1 0 405.539 3.944 20 5 HHBDRO CN(c1ccccc1)c1ccc(CN2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000536658619 1011805784 /nfs/dbraw/zinc/80/57/84/1011805784.db2.gz MLBFTNCRBJFVJF-UHFFFAOYSA-N 1 0 410.518 3.659 20 5 HHBDRO CCC1(CO)CC[NH+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000536658867 1011806626 /nfs/dbraw/zinc/80/66/26/1011806626.db2.gz QGPFXTFTHXYLPA-UHFFFAOYSA-N 1 0 406.401 3.529 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551733383 1011892785 /nfs/dbraw/zinc/89/27/85/1011892785.db2.gz BJEYWJKNLQQYMA-UHFFFAOYSA-N 1 0 418.444 3.722 20 5 HHBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@]1(c2ccccc2)CCCCC1=O ZINC000551738052 1011899506 /nfs/dbraw/zinc/89/95/06/1011899506.db2.gz UKOVAOTZHLCVTA-HSZRJFAPSA-N 1 0 423.469 3.863 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000536756394 1011947075 /nfs/dbraw/zinc/94/70/75/1011947075.db2.gz PKCWCJMXKUDLJH-DZGCQCFKSA-N 1 0 406.401 3.838 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000536756403 1011947754 /nfs/dbraw/zinc/94/77/54/1011947754.db2.gz PKCWCJMXKUDLJH-UKRRQHHQSA-N 1 0 406.401 3.838 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000541280964 1011973934 /nfs/dbraw/zinc/97/39/34/1011973934.db2.gz ANHHCPBLRJNCFF-DLBZAZTESA-N 1 0 420.893 3.779 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000541282387 1011974832 /nfs/dbraw/zinc/97/48/32/1011974832.db2.gz VKYPVBHRIBJWKJ-OAHLLOKOSA-N 1 0 406.866 3.531 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)CS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000536825951 1012054513 /nfs/dbraw/zinc/05/45/13/1012054513.db2.gz KKDFHNGENWBBRE-DOTOQJQBSA-N 1 0 406.504 3.897 20 5 HHBDRO Cn1ccnc1[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000552046369 1012065259 /nfs/dbraw/zinc/06/52/59/1012065259.db2.gz FYNLJURWZMKTCS-OFNKIYASSA-N 1 0 419.529 3.572 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)cc1[N+](=O)[O-] ZINC000536848782 1012078461 /nfs/dbraw/zinc/07/84/61/1012078461.db2.gz ZXCZDIFQOMWHEX-UKRRQHHQSA-N 1 0 409.280 3.756 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000541396026 1012121901 /nfs/dbraw/zinc/12/19/01/1012121901.db2.gz HFFXEJWDUJLZNE-INIZCTEOSA-N 1 0 411.886 3.899 20 5 HHBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000552116124 1012134493 /nfs/dbraw/zinc/13/44/93/1012134493.db2.gz AMODAEVSWMQTHZ-YDHLFZDLSA-N 1 0 415.943 3.583 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N3[C@@H]4CC[C@H]3CC[N@@H+](C)C4)cc2[N+](=O)[O-])n1 ZINC000552146164 1012166740 /nfs/dbraw/zinc/16/67/40/1012166740.db2.gz ZOOKXOFZFZNJAS-LSDHHAIUSA-N 1 0 418.544 3.820 20 5 HHBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000552269828 1012281842 /nfs/dbraw/zinc/28/18/42/1012281842.db2.gz UDPJNXDTXLQVLD-BRKWEVRTSA-N 1 0 409.486 3.641 20 5 HHBDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000552296307 1012307784 /nfs/dbraw/zinc/30/77/84/1012307784.db2.gz GFDSSSKIWQDGDY-XHBSWPGZSA-N 1 0 403.508 3.639 20 5 HHBDRO CCc1ccc([C@H](NC[C@@H]2C[N@H+](CC(C)C)CCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549858 1012336015 /nfs/dbraw/zinc/33/60/15/1012336015.db2.gz KSZQOJAFQPHBEK-IFMALSPDSA-N 1 0 401.507 3.786 20 5 HHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c(Cl)c1 ZINC000541555395 1012343861 /nfs/dbraw/zinc/34/38/61/1012343861.db2.gz BLPAEYYQLQQLAP-CYBMUJFWSA-N 1 0 415.671 3.540 20 5 HHBDRO O=C1NCCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1Cc1ccccc1 ZINC000552357648 1012365586 /nfs/dbraw/zinc/36/55/86/1012365586.db2.gz KYTMCIFIGMHTHQ-NRFANRHFSA-N 1 0 405.454 3.788 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000537050516 1012374971 /nfs/dbraw/zinc/37/49/71/1012374971.db2.gz PFWQJDRFEQYWAN-MRXNPFEDSA-N 1 0 406.442 3.858 20 5 HHBDRO COc1cc(CN2CC[NH+](C3CCC(C)CC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000523790570 1012446314 /nfs/dbraw/zinc/44/63/14/1012446314.db2.gz QDKCWNFMDPKOFN-UHFFFAOYSA-N 1 0 413.465 3.901 20 5 HHBDRO CCSc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000537101246 1012465922 /nfs/dbraw/zinc/46/59/22/1012465922.db2.gz FEAHJWLLQKFAEV-LBPRGKRZSA-N 1 0 403.460 3.725 20 5 HHBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541695432 1012542468 /nfs/dbraw/zinc/54/24/68/1012542468.db2.gz WIOFCMPEUJVXNH-UYAOXDASSA-N 1 0 402.422 3.953 20 5 HHBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000552536480 1012554270 /nfs/dbraw/zinc/55/42/70/1012554270.db2.gz GYGGMNRTJXBQCF-UHFFFAOYSA-N 1 0 419.485 3.521 20 5 HHBDRO C[C@@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541728925 1012580716 /nfs/dbraw/zinc/58/07/16/1012580716.db2.gz WUJLCCWUVNCRNC-MRXNPFEDSA-N 1 0 415.465 3.628 20 5 HHBDRO COc1cc(C)c([C@@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000537175573 1012581803 /nfs/dbraw/zinc/58/18/03/1012581803.db2.gz QDSJXOABRPQBDZ-HZPDHXFCSA-N 1 0 415.490 3.757 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000537288658 1012744850 /nfs/dbraw/zinc/74/48/50/1012744850.db2.gz MCDYFHLFZZZHCC-HWKANZROSA-N 1 0 405.248 3.932 20 5 HHBDRO O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000524029156 1012778192 /nfs/dbraw/zinc/77/81/92/1012778192.db2.gz ILTNCHYOWAIXSZ-QGZVFWFLSA-N 1 0 411.458 3.607 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000537328022 1012785312 /nfs/dbraw/zinc/78/53/12/1012785312.db2.gz VYRHZNUGBBLSJQ-SFHVURJKSA-N 1 0 405.882 3.745 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000542011927 1012896143 /nfs/dbraw/zinc/89/61/43/1012896143.db2.gz GVZTYGGKGIDQEL-UHFFFAOYSA-N 1 0 401.511 3.979 20 5 HHBDRO CC(C)[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000575948292 1071769460 /nfs/dbraw/zinc/76/94/60/1071769460.db2.gz HIDTZTKAXTYXCA-NRFANRHFSA-N 1 0 417.456 3.615 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684432 1071801724 /nfs/dbraw/zinc/80/17/24/1071801724.db2.gz PMGKBGLJVQEEFY-IEBWSBKVSA-N 1 0 417.893 3.993 20 5 HHBDRO Nc1c(Cl)cc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000908301059 1072021633 /nfs/dbraw/zinc/02/16/33/1072021633.db2.gz QBIJROSEQLNEAT-MRXNPFEDSA-N 1 0 416.909 3.863 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[NH+]2CCCCC2)cc1 ZINC000913088476 1072326887 /nfs/dbraw/zinc/32/68/87/1072326887.db2.gz UDXJOGDRPMRVAO-RRMRZKMGSA-N 1 0 409.486 3.960 20 5 HHBDRO Nc1cc(NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587368645 1072578916 /nfs/dbraw/zinc/57/89/16/1072578916.db2.gz HBXSZZJPQRPAFX-UHFFFAOYSA-N 1 0 424.423 3.765 20 5 HHBDRO CCN1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000571227940 1072587998 /nfs/dbraw/zinc/58/79/98/1072587998.db2.gz JLVBGZMGEKIFLW-JXFKEZNVSA-N 1 0 419.407 3.814 20 5 HHBDRO CC(C)CC[NH+]1CCC(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000571341230 1072607074 /nfs/dbraw/zinc/60/70/74/1072607074.db2.gz KYKIAPVIHAVHFQ-UHFFFAOYSA-N 1 0 415.538 3.676 20 5 HHBDRO COc1ccc(CC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000571457483 1072625413 /nfs/dbraw/zinc/62/54/13/1072625413.db2.gz VLIORUUYZIEHJM-HXUWFJFHSA-N 1 0 411.502 3.564 20 5 HHBDRO CCOC(=O)C1CCC([N@H+](CC)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000554863559 1072922384 /nfs/dbraw/zinc/92/23/84/1072922384.db2.gz UDTAZRFASNCOKU-UHFFFAOYSA-N 1 0 402.451 3.589 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000588244581 1072939103 /nfs/dbraw/zinc/93/91/03/1072939103.db2.gz AZALPUWZZUPBNL-UHFFFAOYSA-N 1 0 400.479 3.632 20 5 HHBDRO COc1cc(C[NH2+]CCc2ccc(Cl)nc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000760700332 1073142224 /nfs/dbraw/zinc/14/22/24/1073142224.db2.gz GINVKWIOYVLVOM-UHFFFAOYSA-N 1 0 419.787 3.925 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000555228927 1073274270 /nfs/dbraw/zinc/27/42/70/1073274270.db2.gz NOEPZCYEXKTUEX-KUHUBIRLSA-N 1 0 404.898 3.858 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000588841454 1073300723 /nfs/dbraw/zinc/30/07/23/1073300723.db2.gz OKXFACJZVZXQFX-UHFFFAOYSA-N 1 0 419.485 3.684 20 5 HHBDRO CC(C)Oc1ccc([C@@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)N(C)C)cc1 ZINC000588929718 1073347702 /nfs/dbraw/zinc/34/77/02/1073347702.db2.gz AZOFQSOUWUDXGB-HXUWFJFHSA-N 1 0 415.490 3.546 20 5 HHBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000590021375 1073474503 /nfs/dbraw/zinc/47/45/03/1073474503.db2.gz RCDOOGLSUIIKBT-KRWDZBQOSA-N 1 0 413.243 3.589 20 5 HHBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 ZINC000590447038 1073839316 /nfs/dbraw/zinc/83/93/16/1073839316.db2.gz XYOJHXRSALDFDX-YWZLYKJASA-N 1 0 414.893 3.636 20 5 HHBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3Cl)[C@@H]2C1 ZINC000590447035 1073839373 /nfs/dbraw/zinc/83/93/73/1073839373.db2.gz XYOJHXRSALDFDX-MGPUTAFESA-N 1 0 414.893 3.636 20 5 HHBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000590536845 1073913958 /nfs/dbraw/zinc/91/39/58/1073913958.db2.gz BFWBJQHMYPEWAI-SCTDSRPQSA-N 1 0 402.539 3.633 20 5 HHBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3ccc4cccnc4c3n1)C2 ZINC001164809779 720089616 /nfs/dbraw/zinc/08/96/16/720089616.db2.gz KFFRWZUJEQUABA-PXDATVDWSA-N 1 0 402.542 3.968 20 5 HHBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3ccc4cccnc4c3n1)C2 ZINC001164809778 720090052 /nfs/dbraw/zinc/09/00/52/720090052.db2.gz KFFRWZUJEQUABA-OFVILXPXSA-N 1 0 402.542 3.968 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl ZINC001164834714 720527724 /nfs/dbraw/zinc/52/77/24/720527724.db2.gz HFZOWWBOLDJBSO-YESZJQIVSA-N 1 0 418.929 3.526 20 5 HHBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835040 720529530 /nfs/dbraw/zinc/52/95/30/720529530.db2.gz GUCGAAKNSQOPRK-KAGYGMCKSA-N 1 0 420.517 3.717 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)CC2 ZINC001164839753 720702868 /nfs/dbraw/zinc/70/28/68/720702868.db2.gz MTDPOHXDGWYSEL-GOSISDBHSA-N 1 0 421.501 3.731 20 5 HHBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908811 721543741 /nfs/dbraw/zinc/54/37/41/721543741.db2.gz QRFHYXMMNYWDEF-HKUYNNGSSA-N 1 0 408.433 3.624 20 5 HHBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908813 721544700 /nfs/dbraw/zinc/54/47/00/721544700.db2.gz QRFHYXMMNYWDEF-IEBWSBKVSA-N 1 0 408.433 3.624 20 5 HHBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164910391 721549509 /nfs/dbraw/zinc/54/95/09/721549509.db2.gz UNMSGHPOPBDDEN-UYAOXDASSA-N 1 0 408.433 3.624 20 5 HHBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904192 721691464 /nfs/dbraw/zinc/69/14/64/721691464.db2.gz DRLUTZKJEYWFTE-SFHVURJKSA-N 1 0 423.851 3.776 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC001165028096 721810141 /nfs/dbraw/zinc/81/01/41/721810141.db2.gz WCVXULWOXDTJJZ-BSLALVQMSA-N 1 0 418.501 3.670 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@@H]21 ZINC001165023558 721818952 /nfs/dbraw/zinc/81/89/52/721818952.db2.gz HWBHZIIADATOPD-ZYSHUDEJSA-N 1 0 406.490 3.603 20 5 HHBDRO CCOc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165024178 721819430 /nfs/dbraw/zinc/81/94/30/721819430.db2.gz JLUQILTXZCPFBY-WDSOQIARSA-N 1 0 411.506 3.520 20 5 HHBDRO CN(c1ccc([N+](=O)[O-])cc1N1CCOC1=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000301461435 970940930 /nfs/dbraw/zinc/94/09/30/970940930.db2.gz YXPPFCFUZRLTPG-LJQANCHMSA-N 1 0 410.474 3.652 20 5 HHBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000301562350 970981134 /nfs/dbraw/zinc/98/11/34/970981134.db2.gz VBQLMSZNGRQLFS-KRWDZBQOSA-N 1 0 402.495 3.644 20 5 HHBDRO COC(=O)c1cc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccccn3)CC2)cc1Cl ZINC000301652275 971015837 /nfs/dbraw/zinc/01/58/37/971015837.db2.gz GRAIJFFRMJOIAP-UHFFFAOYSA-N 1 0 404.854 3.506 20 5 HHBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1O2 ZINC000301681256 971025791 /nfs/dbraw/zinc/02/57/91/971025791.db2.gz DEIIQGOWDNBOIS-KRWDZBQOSA-N 1 0 415.877 3.966 20 5 HHBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301829467 971079036 /nfs/dbraw/zinc/07/90/36/971079036.db2.gz PAYAYQNLZSPIQZ-GJZGRUSLSA-N 1 0 400.445 3.608 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccc(F)c1 ZINC000524253343 1013063435 /nfs/dbraw/zinc/06/34/35/1013063435.db2.gz MIZPMRGYZDKYIM-INIZCTEOSA-N 1 0 410.243 3.529 20 5 HHBDRO C[NH+](C)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000302215136 971209584 /nfs/dbraw/zinc/20/95/84/971209584.db2.gz HHGHWSBCJRONAS-QGZVFWFLSA-N 1 0 421.379 3.977 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000302680768 971278006 /nfs/dbraw/zinc/27/80/06/971278006.db2.gz WPWHEAMEHSRKJO-MRXNPFEDSA-N 1 0 417.531 3.842 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000303152509 971531181 /nfs/dbraw/zinc/53/11/81/971531181.db2.gz FSDOIGGWKYTUAT-UHFFFAOYSA-N 1 0 410.518 3.686 20 5 HHBDRO CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542203297 1013148781 /nfs/dbraw/zinc/14/87/81/1013148781.db2.gz SHWDUCGVVDKDCF-MRXNPFEDSA-N 1 0 409.280 3.619 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)n1 ZINC000553189757 1013149979 /nfs/dbraw/zinc/14/99/79/1013149979.db2.gz JOCSTZSLIVRSMV-HNNXBMFYSA-N 1 0 412.368 3.510 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000542210113 1013156175 /nfs/dbraw/zinc/15/61/75/1013156175.db2.gz NFIOSAZTJYGCBS-DLBZAZTESA-N 1 0 421.291 3.934 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccccc1 ZINC000542211837 1013158996 /nfs/dbraw/zinc/15/89/96/1013158996.db2.gz SGTVEVCQUODPSA-LIRRHRJNSA-N 1 0 403.866 3.944 20 5 HHBDRO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537627357 1013177823 /nfs/dbraw/zinc/17/78/23/1013177823.db2.gz USJGLDBRCNHLNQ-HXUWFJFHSA-N 1 0 419.529 3.949 20 5 HHBDRO COc1cc(CN2CC[NH+](C3CCC3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537629915 1013182707 /nfs/dbraw/zinc/18/27/07/1013182707.db2.gz GVKKTCFCNMRHAS-UHFFFAOYSA-N 1 0 411.502 3.853 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000303849740 972389364 /nfs/dbraw/zinc/38/93/64/972389364.db2.gz OEDBVEAXAHOIEF-SFHVURJKSA-N 1 0 419.485 3.517 20 5 HHBDRO COc1cc(CN(C)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000537632008 1013185297 /nfs/dbraw/zinc/18/52/97/1013185297.db2.gz KLKDMCQVRRTZEE-OAHLLOKOSA-N 1 0 419.444 3.851 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)cc1[N+](=O)[O-] ZINC000537633189 1013188091 /nfs/dbraw/zinc/18/80/91/1013188091.db2.gz GFBGRHFKJAJZDQ-UHFFFAOYSA-N 1 0 423.517 3.742 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)n1 ZINC000553250457 1013216543 /nfs/dbraw/zinc/21/65/43/1013216543.db2.gz AGSIYHKFZYITHF-QGZVFWFLSA-N 1 0 404.854 3.679 20 5 HHBDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1Br ZINC000007879320 961359652 /nfs/dbraw/zinc/35/96/52/961359652.db2.gz XMWXWTPFEHLCEW-NSHDSACASA-N 1 0 408.252 3.655 20 5 HHBDRO O=[N+]([O-])c1cnc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(Br)c1 ZINC000553337799 1013284081 /nfs/dbraw/zinc/28/40/81/1013284081.db2.gz VPPHNEBOJTXORG-LJQANCHMSA-N 1 0 417.307 3.855 20 5 HHBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000011652482 962153569 /nfs/dbraw/zinc/15/35/69/962153569.db2.gz BICGIWSKHMTFIC-QHCPKHFHSA-N 1 0 422.529 3.765 20 5 HHBDRO CCOc1cc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])cc1OCC ZINC000542359724 1013316349 /nfs/dbraw/zinc/31/63/49/1013316349.db2.gz UDXWUCFEKAAOSV-HNNXBMFYSA-N 1 0 408.499 3.778 20 5 HHBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000553407210 1013333319 /nfs/dbraw/zinc/33/33/19/1013333319.db2.gz BYQPNKDUWNLFIB-UHFFFAOYSA-N 1 0 411.911 3.914 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCC1 ZINC000014515010 962518775 /nfs/dbraw/zinc/51/87/75/962518775.db2.gz WUKLBZGJOWUREZ-GOSISDBHSA-N 1 0 403.866 3.824 20 5 HHBDRO C[C@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016402217 963034347 /nfs/dbraw/zinc/03/43/47/963034347.db2.gz HCCWAYIXQQMHKX-INIZCTEOSA-N 1 0 411.458 3.765 20 5 HHBDRO O=C(COC(=O)c1c2ccccc2cc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000022787197 963717228 /nfs/dbraw/zinc/71/72/28/963717228.db2.gz JIHPFPZSYBQZEE-UHFFFAOYSA-N 1 0 402.494 3.893 20 5 HHBDRO Cc1c(Br)c(NCc2ccccc2OCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000542507465 1013452446 /nfs/dbraw/zinc/45/24/46/1013452446.db2.gz PTMPFLNGRCFCGO-UHFFFAOYSA-N 1 0 409.284 3.613 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c1 ZINC000024476127 964006761 /nfs/dbraw/zinc/00/67/61/964006761.db2.gz VYICZRHAJMLAHW-UHFFFAOYSA-N 1 0 420.922 3.974 20 5 HHBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000025101567 964176094 /nfs/dbraw/zinc/17/60/94/964176094.db2.gz AGMIZEMLYUZUBV-UHFFFAOYSA-N 1 0 423.517 3.508 20 5 HHBDRO CC(C)(CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000025460927 964278277 /nfs/dbraw/zinc/27/82/77/964278277.db2.gz GIPVODQGNPNGFZ-UHFFFAOYSA-N 1 0 422.529 3.762 20 5 HHBDRO O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000050273820 964299480 /nfs/dbraw/zinc/29/94/80/964299480.db2.gz OIBWWXHPXMDIBE-LJQANCHMSA-N 1 0 403.822 3.656 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccsc1 ZINC000050561558 964354262 /nfs/dbraw/zinc/35/42/62/964354262.db2.gz DQBCZJZCOIDGBS-INIZCTEOSA-N 1 0 402.501 3.813 20 5 HHBDRO C[C@@H]1C[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000553608745 1013495531 /nfs/dbraw/zinc/49/55/31/1013495531.db2.gz NPIFTSKKPJYINL-WIYYLYMNSA-N 1 0 410.518 3.832 20 5 HHBDRO C[C@@H](C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000542555862 1013498458 /nfs/dbraw/zinc/49/84/58/1013498458.db2.gz WRUSNNFCAASJNP-MRXNPFEDSA-N 1 0 421.513 3.767 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000553616546 1013499855 /nfs/dbraw/zinc/49/98/55/1013499855.db2.gz GERJXIKCAMBXGL-WIYYLYMNSA-N 1 0 410.518 3.689 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCOc1ccccc1Cl ZINC000026336996 964529004 /nfs/dbraw/zinc/52/90/04/964529004.db2.gz DUDBADAPEOAEEK-UHFFFAOYSA-N 1 0 407.854 3.596 20 5 HHBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000051469371 964582730 /nfs/dbraw/zinc/58/27/30/964582730.db2.gz VDEIZCGLDTZVHC-UHFFFAOYSA-N 1 0 414.487 3.824 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000537942089 1013525537 /nfs/dbraw/zinc/52/55/37/1013525537.db2.gz OPYJOCZEHCGWOU-GIWSNZPPSA-N 1 0 403.429 3.756 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000537952804 1013533456 /nfs/dbraw/zinc/53/34/56/1013533456.db2.gz UBUPFXWBGDYLLJ-SJCJKPOMSA-N 1 0 411.380 3.654 20 5 HHBDRO CNc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000027667401 964940001 /nfs/dbraw/zinc/94/00/01/964940001.db2.gz LNCHRVLLNGYZPI-NRFANRHFSA-N 1 0 412.490 3.602 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000027766775 964966583 /nfs/dbraw/zinc/96/65/83/964966583.db2.gz JYCBCCOEWZFTEW-MRXNPFEDSA-N 1 0 413.474 4.000 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000537965862 1013543181 /nfs/dbraw/zinc/54/31/81/1013543181.db2.gz IBXYZMVKSSRNFR-GOSISDBHSA-N 1 0 408.907 3.633 20 5 HHBDRO COc1ccc(C[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC000053097631 965061733 /nfs/dbraw/zinc/06/17/33/965061733.db2.gz USXYMRDLDONABL-OAHLLOKOSA-N 1 0 413.474 3.851 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000028483653 965114536 /nfs/dbraw/zinc/11/45/36/965114536.db2.gz PLIFFDINOSZLIU-SFHVURJKSA-N 1 0 402.520 3.802 20 5 HHBDRO CC[C@@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000537990280 1013564980 /nfs/dbraw/zinc/56/49/80/1013564980.db2.gz HWCHKMFTAMRGFS-OAQYLSRUSA-N 1 0 414.481 3.514 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000057171733 965323984 /nfs/dbraw/zinc/32/39/84/965323984.db2.gz CLFISMLUDSTYCB-SJORKVTESA-N 1 0 411.506 3.625 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000537989790 1013564512 /nfs/dbraw/zinc/56/45/12/1013564512.db2.gz FAELHIXMTXJGMW-INIZCTEOSA-N 1 0 419.485 3.776 20 5 HHBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000058489666 965751951 /nfs/dbraw/zinc/75/19/51/965751951.db2.gz JTQDESZVCCRFLI-UHFFFAOYSA-N 1 0 411.506 3.699 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000030687922 965767632 /nfs/dbraw/zinc/76/76/32/965767632.db2.gz TXIOBSYIHZVNAX-UHFFFAOYSA-N 1 0 411.458 3.752 20 5 HHBDRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000055405792 965843787 /nfs/dbraw/zinc/84/37/87/965843787.db2.gz VSDIOXJUGQWMBY-UHFFFAOYSA-N 1 0 414.437 3.801 20 5 HHBDRO Cc1c(Cl)cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000031075463 965885756 /nfs/dbraw/zinc/88/57/56/965885756.db2.gz VMRVIPQXKNNBAE-UHFFFAOYSA-N 1 0 423.922 3.631 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCOc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000058877004 965936276 /nfs/dbraw/zinc/93/62/76/965936276.db2.gz MLVGNQSGMQBNCM-GOSISDBHSA-N 1 0 411.502 3.912 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000060063756 966055950 /nfs/dbraw/zinc/05/59/50/966055950.db2.gz GVDRYLLGDSHJCK-OAQYLSRUSA-N 1 0 413.474 3.569 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000060089840 966060434 /nfs/dbraw/zinc/06/04/34/966060434.db2.gz BUGWPDUQGDWHFV-IBGZPJMESA-N 1 0 411.458 3.840 20 5 HHBDRO CC[NH+]1CCN(C[C@@H](C)CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000060380221 966122298 /nfs/dbraw/zinc/12/22/98/966122298.db2.gz IVJPSYREFUANGV-SFHVURJKSA-N 1 0 410.518 3.511 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000056060077 966197324 /nfs/dbraw/zinc/19/73/24/966197324.db2.gz FSYYTFUWCDIZOG-QGZVFWFLSA-N 1 0 417.531 3.589 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1OC ZINC000056168452 966243689 /nfs/dbraw/zinc/24/36/89/966243689.db2.gz IJHALIPRQWCACJ-RDJZCZTQSA-N 1 0 413.474 3.567 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC000056205931 966258142 /nfs/dbraw/zinc/25/81/42/966258142.db2.gz QASWZAXYXJVVDT-AUUYWEPGSA-N 1 0 403.866 3.944 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+]CCCN2CCOCC2)ccc1Oc1ccccc1Cl ZINC000061002818 966347801 /nfs/dbraw/zinc/34/78/01/966347801.db2.gz NYOFNYRIIRUOOU-UHFFFAOYSA-N 1 0 405.882 3.852 20 5 HHBDRO O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061790799 966555582 /nfs/dbraw/zinc/55/55/82/966555582.db2.gz KBYUOYFOISAGCW-UHFFFAOYSA-N 1 0 400.504 3.508 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000062499657 966692558 /nfs/dbraw/zinc/69/25/58/966692558.db2.gz NDTRXEWRUDSMRG-UHFFFAOYSA-N 1 0 404.898 3.564 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000538118636 1013679902 /nfs/dbraw/zinc/67/99/02/1013679902.db2.gz MUOBOPREXBRCCR-NWDGAFQWSA-N 1 0 409.389 3.883 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000538118633 1013680140 /nfs/dbraw/zinc/68/01/40/1013680140.db2.gz MUOBOPREXBRCCR-NEPJUHHUSA-N 1 0 409.389 3.883 20 5 HHBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(=O)Nc1ccccc1C ZINC000063482348 966872319 /nfs/dbraw/zinc/87/23/19/966872319.db2.gz NWDVYJZRBKNDLC-UHFFFAOYSA-N 1 0 412.490 3.891 20 5 HHBDRO COc1cccc([C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000043306868 966948227 /nfs/dbraw/zinc/94/82/27/966948227.db2.gz DQCUGGCIIXFNLZ-OAQYLSRUSA-N 1 0 412.490 3.582 20 5 HHBDRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000044614702 967255636 /nfs/dbraw/zinc/25/56/36/967255636.db2.gz CCZKFSDAMSMWQW-UHFFFAOYSA-N 1 0 408.502 3.543 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(OC(C)C)c(OC)c2)c([N+](=O)[O-])c1 ZINC000538154260 1013714735 /nfs/dbraw/zinc/71/47/35/1013714735.db2.gz AZDYISSCDHJODW-AWEZNQCLSA-N 1 0 417.462 3.689 20 5 HHBDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065110172 967381997 /nfs/dbraw/zinc/38/19/97/967381997.db2.gz RRZKDJLLUBNOMQ-UHFFFAOYSA-N 1 0 423.498 3.508 20 5 HHBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000065309098 967433126 /nfs/dbraw/zinc/43/31/26/967433126.db2.gz VMAAPHPPXFELFN-AWEZNQCLSA-N 1 0 402.520 3.959 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000065413684 967456950 /nfs/dbraw/zinc/45/69/50/967456950.db2.gz LBCBIIHRXQRUAS-CQSZACIVSA-N 1 0 412.393 3.994 20 5 HHBDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1OC ZINC000553959108 1013723742 /nfs/dbraw/zinc/72/37/42/1013723742.db2.gz MRMHGJPEZFGCOW-GFCCVEGCSA-N 1 0 407.854 3.863 20 5 HHBDRO CC1CC[NH+](Cc2ccc(CNC(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000065511599 967499903 /nfs/dbraw/zinc/49/99/03/967499903.db2.gz PKLXVRWMIKYZSB-UHFFFAOYSA-N 1 0 410.518 3.869 20 5 HHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000065511078 967499961 /nfs/dbraw/zinc/49/99/61/967499961.db2.gz KXIBYTOPFCCCIZ-UHFFFAOYSA-N 1 0 418.497 3.818 20 5 HHBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000045790746 967553540 /nfs/dbraw/zinc/55/35/40/967553540.db2.gz JAUQBULTDOXNNZ-UHFFFAOYSA-N 1 0 405.882 3.899 20 5 HHBDRO Cc1cc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000045941550 967601968 /nfs/dbraw/zinc/60/19/68/967601968.db2.gz FMWISMQMVOPAML-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000538181175 1013739500 /nfs/dbraw/zinc/73/95/00/1013739500.db2.gz SWVYLHHLPPPIBP-WBVHZDCISA-N 1 0 402.344 3.757 20 5 HHBDRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000538181299 1013740595 /nfs/dbraw/zinc/74/05/95/1013740595.db2.gz VAMZTBGNICVKGB-OAQYLSRUSA-N 1 0 423.444 3.915 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000046624165 967888625 /nfs/dbraw/zinc/88/86/25/967888625.db2.gz JPCIACYNBHYFKJ-GASCZTMLSA-N 1 0 417.893 3.787 20 5 HHBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000538210990 1013764525 /nfs/dbraw/zinc/76/45/25/1013764525.db2.gz PGWPKFJTVSCCLB-MRXNPFEDSA-N 1 0 410.474 3.709 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@@H](COc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000538218001 1013769665 /nfs/dbraw/zinc/76/96/65/1013769665.db2.gz NHBHWQIBXPTLOP-NRFANRHFSA-N 1 0 421.453 3.952 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)c([N+](=O)[O-])c1 ZINC000538225058 1013774964 /nfs/dbraw/zinc/77/49/64/1013774964.db2.gz RNKNMLNNNFBHFO-ZDUSSCGKSA-N 1 0 417.437 3.821 20 5 HHBDRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000538271467 1013811227 /nfs/dbraw/zinc/81/12/27/1013811227.db2.gz OUNBTRRGSQONPX-UHFFFAOYSA-N 1 0 422.485 3.523 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]CCN2c3cccc4cccc(c34)S2(=O)=O)cc1[N+](=O)[O-] ZINC000538276158 1013815397 /nfs/dbraw/zinc/81/53/97/1013815397.db2.gz IDZDKJATYBWLCM-OAHLLOKOSA-N 1 0 411.483 3.916 20 5 HHBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554132838 1013814524 /nfs/dbraw/zinc/81/45/24/1013814524.db2.gz WGTMAHUCGKLALU-IXFSTUDKSA-N 1 0 423.513 3.976 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000068711838 968785134 /nfs/dbraw/zinc/78/51/34/968785134.db2.gz XGCWKNALKHHIDA-AWEZNQCLSA-N 1 0 406.533 3.725 20 5 HHBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)C1 ZINC000071906929 968886028 /nfs/dbraw/zinc/88/60/28/968886028.db2.gz JEYHZBJTNOYSCR-HNNXBMFYSA-N 1 0 412.446 3.665 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000072045771 968956802 /nfs/dbraw/zinc/95/68/02/968956802.db2.gz WPSJNRRMWAKCOC-CQSZACIVSA-N 1 0 423.485 3.944 20 5 HHBDRO COc1ccc(CSCC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000109373083 969508544 /nfs/dbraw/zinc/50/85/44/969508544.db2.gz CSMSFDQCTXBIQP-UHFFFAOYSA-N 1 0 421.563 3.607 20 5 HHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000109675981 969547218 /nfs/dbraw/zinc/54/72/18/969547218.db2.gz SLEYHOXJRZLOQE-WOJBJXKFSA-N 1 0 409.534 3.585 20 5 HHBDRO C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000140453741 970077281 /nfs/dbraw/zinc/07/72/81/970077281.db2.gz IYBDKUJMBKSPFD-HNNXBMFYSA-N 1 0 417.893 3.913 20 5 HHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](CCc2cccs2)CC1 ZINC000141441894 970115739 /nfs/dbraw/zinc/11/57/39/970115739.db2.gz ZPAVIPVMGPAKKX-HNNXBMFYSA-N 1 0 413.503 3.628 20 5 HHBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000227435439 970118296 /nfs/dbraw/zinc/11/82/96/970118296.db2.gz OPQGUQQVTGTTSR-MCIONIFRSA-N 1 0 417.428 3.632 20 5 HHBDRO O=C(NCCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000236630153 970148849 /nfs/dbraw/zinc/14/88/49/970148849.db2.gz GCKNWGJPFRHIAX-XBXARRHUSA-N 1 0 418.291 3.780 20 5 HHBDRO CC(C)c1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000236657455 970152234 /nfs/dbraw/zinc/15/22/34/970152234.db2.gz QBSUWPJAVYTOOH-HNNXBMFYSA-N 1 0 405.520 3.819 20 5 HHBDRO O=C(NC1CC1)c1ccc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000142822628 970169490 /nfs/dbraw/zinc/16/94/90/970169490.db2.gz XFQYMHNWLKWNQT-HNNXBMFYSA-N 1 0 414.531 3.873 20 5 HHBDRO CCOc1ccc(C(=O)N2CCC([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000236952942 970193962 /nfs/dbraw/zinc/19/39/62/970193962.db2.gz QGBKCMPQFWQOEF-FNORWQNLSA-N 1 0 409.486 3.901 20 5 HHBDRO COc1cc(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237154219 970232934 /nfs/dbraw/zinc/23/29/34/970232934.db2.gz LZCLJFIPJGYJIB-HNNXBMFYSA-N 1 0 415.490 3.575 20 5 HHBDRO COc1cc(CNCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237169074 970234094 /nfs/dbraw/zinc/23/40/94/970234094.db2.gz FTCDATAAQVCUPL-CYBMUJFWSA-N 1 0 405.417 3.509 20 5 HHBDRO CN(C)[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000237175045 970236051 /nfs/dbraw/zinc/23/60/51/970236051.db2.gz WPRIUECUMYMFKV-QFIPXVFZSA-N 1 0 405.502 3.877 20 5 HHBDRO COc1cc(C[NH2+][C@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237212628 970243393 /nfs/dbraw/zinc/24/33/93/970243393.db2.gz ZROURYMCLBNKER-GFCCVEGCSA-N 1 0 414.380 3.971 20 5 HHBDRO COc1ccc(C[NH2+][C@H](C)C(=O)NC(C)(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237246064 970247926 /nfs/dbraw/zinc/24/79/26/970247926.db2.gz UIGNPOXFLZLXKM-OAHLLOKOSA-N 1 0 415.490 3.575 20 5 HHBDRO COc1cc(CNC[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237277017 970253315 /nfs/dbraw/zinc/25/33/15/970253315.db2.gz GBYYQBVUOASULX-CQSZACIVSA-N 1 0 419.444 3.755 20 5 HHBDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000237388862 970275852 /nfs/dbraw/zinc/27/58/52/970275852.db2.gz VQSZDMTXCFWEKH-KRWDZBQOSA-N 1 0 405.502 3.532 20 5 HHBDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237409575 970280556 /nfs/dbraw/zinc/28/05/56/970280556.db2.gz PLKPKXNGSBKLJF-QRWLVFNGSA-N 1 0 412.515 3.650 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]C3CCN(C(=O)C(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000237424297 970283147 /nfs/dbraw/zinc/28/31/47/970283147.db2.gz YARSNQJRKBTBMV-UHFFFAOYSA-N 1 0 401.463 3.600 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](O)COc3cccc(C)c3)o2)c([N+](=O)[O-])c1 ZINC000237430050 970284404 /nfs/dbraw/zinc/28/44/04/970284404.db2.gz LROYHHQMRIDKEK-INIZCTEOSA-N 1 0 412.442 3.701 20 5 HHBDRO Cn1cc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237763437 970357962 /nfs/dbraw/zinc/35/79/62/970357962.db2.gz ZSPUXPNGCUZDJR-JOCHJYFZSA-N 1 0 405.502 3.922 20 5 HHBDRO Cn1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237767330 970361384 /nfs/dbraw/zinc/36/13/84/970361384.db2.gz ZSPUXPNGCUZDJR-QFIPXVFZSA-N 1 0 405.502 3.922 20 5 HHBDRO Cn1cc(C[NH2+]Cc2ccccc2Cn2cccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237772372 970362556 /nfs/dbraw/zinc/36/25/56/970362556.db2.gz YIBKLHVNEHVGAF-UHFFFAOYSA-N 1 0 402.458 3.530 20 5 HHBDRO Cc1ccc(Sc2ccc(CNC[C@H](O)C[NH+]3CCCC3)cc2[N+](=O)[O-])cc1 ZINC000237872905 970385585 /nfs/dbraw/zinc/38/55/85/970385585.db2.gz BRKRHMQBEVTFSF-SFHVURJKSA-N 1 0 401.532 3.601 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(CNCC3([NH+]4CCCCC4)CCOCC3)cs2)c1 ZINC000238005791 970416701 /nfs/dbraw/zinc/41/67/01/970416701.db2.gz VJEYJIXQJSHWJQ-UHFFFAOYSA-N 1 0 416.547 3.843 20 5 HHBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(OC)c(OC)c1 ZINC000164385375 970447256 /nfs/dbraw/zinc/44/72/56/970447256.db2.gz HQUYTZORGAXROZ-UHFFFAOYSA-N 1 0 401.463 3.771 20 5 HHBDRO Cc1ccccc1C[N@@H+]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000164781739 970451056 /nfs/dbraw/zinc/45/10/56/970451056.db2.gz VIQHNKNWFCDLTJ-UHFFFAOYSA-N 1 0 410.518 3.748 20 5 HHBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[N@@H+]1CCc2sccc2C1 ZINC000301121082 970758530 /nfs/dbraw/zinc/75/85/30/970758530.db2.gz RQCIZMURDWFZKL-HNNXBMFYSA-N 1 0 414.531 3.751 20 5 HHBDRO CC(C)c1ccc(-c2nc(-c3cc(N4CC[NH+](C)CC4)ccn3)no2)cc1[N+](=O)[O-] ZINC000554806735 1014052402 /nfs/dbraw/zinc/05/24/02/1014052402.db2.gz WCKHAUWUVMNQES-UHFFFAOYSA-N 1 0 408.462 3.582 20 5 HHBDRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425969190 974073913 /nfs/dbraw/zinc/07/39/13/974073913.db2.gz WASIBFILAIWVAL-UHFFFAOYSA-N 1 0 416.432 3.709 20 5 HHBDRO COc1ccc(OCc2ccccn2)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000425972639 974078008 /nfs/dbraw/zinc/07/80/08/974078008.db2.gz ZPSIRKMBAUXIHV-UHFFFAOYSA-N 1 0 423.473 3.611 20 5 HHBDRO Cc1nc(COc2ccc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2)cs1 ZINC000425984625 974095317 /nfs/dbraw/zinc/09/53/17/974095317.db2.gz JVFVFJPUMKXMKL-UHFFFAOYSA-N 1 0 413.503 3.972 20 5 HHBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1C ZINC000426265573 974357389 /nfs/dbraw/zinc/35/73/89/974357389.db2.gz HRJBMDBLVBHMFT-SWLSCSKDSA-N 1 0 402.417 3.628 20 5 HHBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000426273446 974362056 /nfs/dbraw/zinc/36/20/56/974362056.db2.gz HBVHSYZEXZNZLK-INIZCTEOSA-N 1 0 414.428 3.774 20 5 HHBDRO COCC[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000426516581 974501271 /nfs/dbraw/zinc/50/12/71/974501271.db2.gz NVNCRRPNCZUYFV-QFIPXVFZSA-N 1 0 422.485 3.685 20 5 HHBDRO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000426888886 974733543 /nfs/dbraw/zinc/73/35/43/974733543.db2.gz KBDSTIBRPMWTSP-LJQANCHMSA-N 1 0 409.486 3.732 20 5 HHBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427439723 975118744 /nfs/dbraw/zinc/11/87/44/975118744.db2.gz TWOWRRGPMSZGNR-UHFFFAOYSA-N 1 0 409.486 3.778 20 5 HHBDRO CCOC(=O)c1cc(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)cc([N+](=O)[O-])c1 ZINC000427490912 975144664 /nfs/dbraw/zinc/14/46/64/975144664.db2.gz PZYAVEKGQCZINV-UHFFFAOYSA-N 1 0 411.458 3.928 20 5 HHBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1OCCc2sccc21 ZINC000427824269 975309694 /nfs/dbraw/zinc/30/96/94/975309694.db2.gz DTKDHHIROTWMDC-RLFDGXBXSA-N 1 0 409.895 3.929 20 5 HHBDRO COc1cc(Br)ccc1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000427893125 975335676 /nfs/dbraw/zinc/33/56/76/975335676.db2.gz OEOAJWXWJZVNJL-GFCCVEGCSA-N 1 0 422.279 3.873 20 5 HHBDRO CCc1ccc([C@H](CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)[NH+](C)C)cc1 ZINC000427920059 975350229 /nfs/dbraw/zinc/35/02/29/975350229.db2.gz COXZDCOSQSYGRD-FQEVSTJZSA-N 1 0 422.485 3.503 20 5 HHBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000428047215 975404188 /nfs/dbraw/zinc/40/41/88/975404188.db2.gz IECRBDWAETZPMH-MRXNPFEDSA-N 1 0 414.506 3.539 20 5 HHBDRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000428531157 975824810 /nfs/dbraw/zinc/82/48/10/975824810.db2.gz ADFWDLJOWLDSJW-GOSISDBHSA-N 1 0 413.477 3.500 20 5 HHBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(OC(F)F)c1 ZINC000428668164 975963007 /nfs/dbraw/zinc/96/30/07/975963007.db2.gz YNFSQFDMJJSPDZ-KRWDZBQOSA-N 1 0 407.417 3.899 20 5 HHBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC(F)F ZINC000428675130 975968406 /nfs/dbraw/zinc/96/84/06/975968406.db2.gz KSLRRWDQGLRKFA-KRWDZBQOSA-N 1 0 407.417 3.899 20 5 HHBDRO COC(=O)[C@]1(c2ccccc2)CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000428775076 976047608 /nfs/dbraw/zinc/04/76/08/976047608.db2.gz WYFYCQUMUCNNDZ-OYHNWAKOSA-N 1 0 422.441 3.523 20 5 HHBDRO Cc1c(NC(=O)CC[N@H+]2CCN(c3cccc(F)c3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000429257458 976545436 /nfs/dbraw/zinc/54/54/36/976545436.db2.gz RPUIXGDGBSYFSM-OAHLLOKOSA-N 1 0 400.454 3.582 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000430212091 977394635 /nfs/dbraw/zinc/39/46/35/977394635.db2.gz ZGYQINOZZSJTRJ-OAHLLOKOSA-N 1 0 416.453 3.776 20 5 HHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430292346 977452432 /nfs/dbraw/zinc/45/24/32/977452432.db2.gz ISSVMULUSVJYIQ-DOTOQJQBSA-N 1 0 421.457 3.691 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000430425545 977538153 /nfs/dbraw/zinc/53/81/53/977538153.db2.gz LPIRLYZIZFBHLV-INIZCTEOSA-N 1 0 413.474 3.952 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000430652758 977669568 /nfs/dbraw/zinc/66/95/68/977669568.db2.gz NZOMMFXOVBMXHR-GHTZIAJQSA-N 1 0 422.529 3.978 20 5 HHBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431461154 978311924 /nfs/dbraw/zinc/31/19/24/978311924.db2.gz SYGGJBCCBHJVPU-UHFFFAOYSA-N 1 0 422.529 3.835 20 5 HHBDRO CCOc1cc(N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000431850240 978551533 /nfs/dbraw/zinc/55/15/33/978551533.db2.gz VNZSGDJFENPTIF-UHFFFAOYSA-N 1 0 404.555 3.626 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431922495 978602973 /nfs/dbraw/zinc/60/29/73/978602973.db2.gz FKCWHJMNVOHEMB-IOASZLSFSA-N 1 0 410.312 3.835 20 5 HHBDRO CCCOc1cc(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])cc1OCCC ZINC000432641389 978921776 /nfs/dbraw/zinc/92/17/76/978921776.db2.gz JDAZIUASTVLZGD-OAQYLSRUSA-N 1 0 420.510 3.732 20 5 HHBDRO CCOc1cc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000432646844 978924403 /nfs/dbraw/zinc/92/44/03/978924403.db2.gz YWMHHBZIWJHPLV-OAHLLOKOSA-N 1 0 420.510 3.730 20 5 HHBDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433166451 979112079 /nfs/dbraw/zinc/11/20/79/979112079.db2.gz XNOGTQKOFMCVJF-YJYMSZOUSA-N 1 0 403.504 3.576 20 5 HHBDRO COc1ccccc1-c1noc(C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000433177083 979119999 /nfs/dbraw/zinc/11/99/99/979119999.db2.gz PWGQGZRWEZQVGZ-UHFFFAOYSA-N 1 0 424.457 3.912 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000433286996 979217141 /nfs/dbraw/zinc/21/71/41/979217141.db2.gz OSGLMSFNPKPYJZ-UHFFFAOYSA-N 1 0 404.492 3.577 20 5 HHBDRO CC(C)c1n[nH]c(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000433840357 979618815 /nfs/dbraw/zinc/61/88/15/979618815.db2.gz DKXPNLXEKOIJFU-HZPDHXFCSA-N 1 0 413.522 3.849 20 5 HHBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000434318879 980081176 /nfs/dbraw/zinc/08/11/76/980081176.db2.gz VVKAEHOFIISSGP-FQEVSTJZSA-N 1 0 405.458 3.799 20 5 HHBDRO CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434495512 980210725 /nfs/dbraw/zinc/21/07/25/980210725.db2.gz WPWIVKNIMQZHAG-UHFFFAOYSA-N 1 0 408.458 3.827 20 5 HHBDRO Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435267358 980750525 /nfs/dbraw/zinc/75/05/25/980750525.db2.gz MLLKYUZXUGAHPD-IBGZPJMESA-N 1 0 423.448 3.938 20 5 HHBDRO Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435267359 980750568 /nfs/dbraw/zinc/75/05/68/980750568.db2.gz MLLKYUZXUGAHPD-LJQANCHMSA-N 1 0 423.448 3.938 20 5 HHBDRO Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435293921 980764050 /nfs/dbraw/zinc/76/40/50/980764050.db2.gz DUEJYSQEKAUZAX-OAQYLSRUSA-N 1 0 419.485 3.728 20 5 HHBDRO Cc1c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435323081 980781891 /nfs/dbraw/zinc/78/18/91/980781891.db2.gz JMMALBQXRASDGT-WFASDCNBSA-N 1 0 411.300 3.614 20 5 HHBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000435330948 980789331 /nfs/dbraw/zinc/78/93/31/980789331.db2.gz XPDIHLWUUXNERM-NHYWBVRUSA-N 1 0 413.316 3.860 20 5 HHBDRO Cc1cc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000435370497 980819735 /nfs/dbraw/zinc/81/97/35/980819735.db2.gz ISYSKOLRQNSSIN-LJQANCHMSA-N 1 0 405.458 3.799 20 5 HHBDRO Cc1sc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000435371349 980820581 /nfs/dbraw/zinc/82/05/81/980820581.db2.gz MGTUYCKZHGUJMU-MRXNPFEDSA-N 1 0 411.487 3.861 20 5 HHBDRO CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000435945637 981106839 /nfs/dbraw/zinc/10/68/39/981106839.db2.gz VWGCESANQLGHJZ-NQIIRXRSSA-N 1 0 410.518 3.999 20 5 HHBDRO CCOc1cc(C[NH2+][C@H]2CC[C@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000436408178 981352502 /nfs/dbraw/zinc/35/25/02/981352502.db2.gz KSNAWVPQXPXBLE-YJBOKZPZSA-N 1 0 402.495 3.856 20 5 HHBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000437054760 981725509 /nfs/dbraw/zinc/72/55/09/981725509.db2.gz YZJVRNJGEWJBRC-GOSISDBHSA-N 1 0 408.502 3.763 20 5 HHBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460242643 982020488 /nfs/dbraw/zinc/02/04/88/982020488.db2.gz FHAFWNCKAPRNIS-HXUWFJFHSA-N 1 0 406.490 3.584 20 5 HHBDRO C[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000437473190 982102348 /nfs/dbraw/zinc/10/23/48/982102348.db2.gz GHYZHPSOKKOFAH-KRWDZBQOSA-N 1 0 408.502 3.906 20 5 HHBDRO COc1cccc(CCC[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000460353475 982127563 /nfs/dbraw/zinc/12/75/63/982127563.db2.gz QCQRYQRTXMELKM-UHFFFAOYSA-N 1 0 409.490 3.625 20 5 HHBDRO CC[NH+]1CCN(c2ccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)CC1 ZINC000437501653 982128170 /nfs/dbraw/zinc/12/81/70/982128170.db2.gz ZZLUDQFNDQVVDO-UHFFFAOYSA-N 1 0 408.502 3.542 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000460361081 982135989 /nfs/dbraw/zinc/13/59/89/982135989.db2.gz SKFTWSDHEZADBN-IAGOWNOFSA-N 1 0 421.501 3.891 20 5 HHBDRO COc1cccc([C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[NH+](C)C)c1 ZINC000437697731 982303272 /nfs/dbraw/zinc/30/32/72/982303272.db2.gz HNFJHNGRNZNXAY-NRFANRHFSA-N 1 0 412.490 3.580 20 5 HHBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000437938922 982473728 /nfs/dbraw/zinc/47/37/28/982473728.db2.gz IFVCYPWWTNGEPL-CBQOVEMMSA-N 1 0 424.501 3.662 20 5 HHBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437991399 982510613 /nfs/dbraw/zinc/51/06/13/982510613.db2.gz XKMYYLUUXDFHOF-HXUWFJFHSA-N 1 0 408.502 3.933 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000438014704 982524656 /nfs/dbraw/zinc/52/46/56/982524656.db2.gz DAUSRYOUXJANBU-IBGZPJMESA-N 1 0 400.479 3.945 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NCC3([NH+](C)C)CCC3)cc2[N+](=O)[O-])n1 ZINC000438513921 982853743 /nfs/dbraw/zinc/85/37/43/982853743.db2.gz LPOCDBAZRFDQHM-UHFFFAOYSA-N 1 0 406.533 3.725 20 5 HHBDRO CC[NH+]1CCC(CCNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000461217665 982929763 /nfs/dbraw/zinc/92/97/63/982929763.db2.gz NDKUIGJXMOLHRE-ROUUACIJSA-N 1 0 416.566 3.929 20 5 HHBDRO CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000438654450 982971841 /nfs/dbraw/zinc/97/18/41/982971841.db2.gz GJCDTXCYLZVKHE-IEBWSBKVSA-N 1 0 424.501 3.526 20 5 HHBDRO CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000438662301 982980155 /nfs/dbraw/zinc/98/01/55/982980155.db2.gz WSJXMMXRHHQUIC-XLIONFOSSA-N 1 0 424.501 3.526 20 5 HHBDRO CC1(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000461399960 983070552 /nfs/dbraw/zinc/07/05/52/983070552.db2.gz MGGNKBGKHHYXPI-UHFFFAOYSA-N 1 0 409.486 3.618 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)cc2[N+](=O)[O-])CC1 ZINC000461422699 983086292 /nfs/dbraw/zinc/08/62/92/983086292.db2.gz JHUAZJZEXPZIJS-LJQANCHMSA-N 1 0 414.550 3.779 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000461428491 983091082 /nfs/dbraw/zinc/09/10/82/983091082.db2.gz HUGBMZNYEUCCEH-MOPGFXCFSA-N 1 0 409.486 3.588 20 5 HHBDRO CC(C)(C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000461452192 983118189 /nfs/dbraw/zinc/11/81/89/983118189.db2.gz UPOVJIXZVVBNKE-VQTJNVASSA-N 1 0 407.514 3.853 20 5 HHBDRO COc1ccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)[NH+]2CCCCC2)cc1 ZINC000438904171 983145459 /nfs/dbraw/zinc/14/54/59/983145459.db2.gz YHJVXMFLWVSXGG-QFIPXVFZSA-N 1 0 411.502 3.798 20 5 HHBDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000439012183 983209472 /nfs/dbraw/zinc/20/94/72/983209472.db2.gz SZQSVPSWDQYAQC-FDPIWHGQSA-N 1 0 400.479 3.796 20 5 HHBDRO CC(C)c1ccc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1[N+](=O)[O-] ZINC000439123095 983260989 /nfs/dbraw/zinc/26/09/89/983260989.db2.gz JRRDRDGIMXCJEA-UHFFFAOYSA-N 1 0 424.501 3.668 20 5 HHBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000439698792 983507306 /nfs/dbraw/zinc/50/73/06/983507306.db2.gz WMXUVNYIUHEMKJ-LJQANCHMSA-N 1 0 405.542 3.781 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000439884064 983569208 /nfs/dbraw/zinc/56/92/08/983569208.db2.gz VUAVRTURCZKEIJ-SFHVURJKSA-N 1 0 412.490 3.979 20 5 HHBDRO COc1ccc(OCC[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c([N+](=O)[O-])c1 ZINC000440309326 983714811 /nfs/dbraw/zinc/71/48/11/983714811.db2.gz AYHWTTNOUVDXDL-UHFFFAOYSA-N 1 0 406.866 3.931 20 5 HHBDRO CCCNC(=O)C1([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCCCC1 ZINC000440396899 983744028 /nfs/dbraw/zinc/74/40/28/983744028.db2.gz GTHRCDVXQKZZSW-UHFFFAOYSA-N 1 0 400.479 3.611 20 5 HHBDRO COc1ccc(NC(=O)C2([NH2+]Cc3cccc([N+](=O)[O-])c3C)CCCC2)cc1OC ZINC000440908479 983965665 /nfs/dbraw/zinc/96/56/65/983965665.db2.gz MFWUPXMNVZJZFU-UHFFFAOYSA-N 1 0 413.474 3.962 20 5 HHBDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000441378732 984218914 /nfs/dbraw/zinc/21/89/14/984218914.db2.gz OINYGMZPOIAEMM-YLJYHZDGSA-N 1 0 407.474 3.766 20 5 HHBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)c([N+](=O)[O-])c1 ZINC000441499539 984289025 /nfs/dbraw/zinc/28/90/25/984289025.db2.gz LODUFKQRMISVAK-KRWDZBQOSA-N 1 0 400.431 3.591 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccccc2C(F)(F)F)C2CCCC2)c1 ZINC000441505573 984292228 /nfs/dbraw/zinc/29/22/28/984292228.db2.gz HZMWUHZVIHIMOU-KRWDZBQOSA-N 1 0 412.412 3.616 20 5 HHBDRO COc1ccc(OCC[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000441530533 984306626 /nfs/dbraw/zinc/30/66/26/984306626.db2.gz RDBGEVXGHJDPCG-LJQANCHMSA-N 1 0 404.438 3.803 20 5 HHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000462412759 985387327 /nfs/dbraw/zinc/38/73/27/985387327.db2.gz HLTMOMAYWMNLTH-IBGZPJMESA-N 1 0 410.518 3.862 20 5 HHBDRO C[NH+](C)Cc1ccc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc1F ZINC000462482589 985438098 /nfs/dbraw/zinc/43/80/98/985438098.db2.gz AZILBDUGSLZQGS-UHFFFAOYSA-N 1 0 410.449 4.382 20 5 HHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000462633238 985575184 /nfs/dbraw/zinc/57/51/84/985575184.db2.gz SQHXMHMQVGKWCL-HXUWFJFHSA-N 1 0 417.550 3.562 20 5 HHBDRO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)[NH+](C)C)cc1OC ZINC000443447938 985612819 /nfs/dbraw/zinc/61/28/19/985612819.db2.gz SQCRFIPTGNJHEQ-HNNXBMFYSA-N 1 0 411.405 3.928 20 5 HHBDRO CCOC(=O)c1ccnc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000462870243 985795009 /nfs/dbraw/zinc/79/50/09/985795009.db2.gz IUNMTIDYEGZPIH-XJKSGUPXSA-N 1 0 404.492 3.723 20 5 HHBDRO CC(C)C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccccc1 ZINC000443758573 985971187 /nfs/dbraw/zinc/97/11/87/985971187.db2.gz MOZOPGMDNOJKGR-XLIONFOSSA-N 1 0 419.547 3.780 20 5 HHBDRO Cc1cnc(Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)c([N+](=O)[O-])c1 ZINC000463050070 986008995 /nfs/dbraw/zinc/00/89/95/986008995.db2.gz YLBVFEFAOKGSQP-UHFFFAOYSA-N 1 0 404.474 3.759 20 5 HHBDRO CC(C)NC(=O)c1ccc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000463064065 986020849 /nfs/dbraw/zinc/02/08/49/986020849.db2.gz YNQNJWLKHVNWQM-IBGZPJMESA-N 1 0 410.518 3.691 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000468377540 986076485 /nfs/dbraw/zinc/07/64/85/986076485.db2.gz AOBCGQMPCRAQHZ-MRXNPFEDSA-N 1 0 419.547 3.783 20 5 HHBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000468458625 986153063 /nfs/dbraw/zinc/15/30/63/986153063.db2.gz RBBPAXUAZNEGQB-IBGZPJMESA-N 1 0 413.468 3.810 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1 ZINC000443951399 986158822 /nfs/dbraw/zinc/15/88/22/986158822.db2.gz XKHORTIDDWXCRU-QGZVFWFLSA-N 1 0 411.506 3.544 20 5 HHBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000468471933 986165521 /nfs/dbraw/zinc/16/55/21/986165521.db2.gz YUSWYIADRSXWOY-ZGRWHYIRSA-N 1 0 404.264 3.529 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000443996710 986196843 /nfs/dbraw/zinc/19/68/43/986196843.db2.gz VNUVCYQVWMSFEC-GFCCVEGCSA-N 1 0 423.263 3.760 20 5 HHBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000444093266 986292421 /nfs/dbraw/zinc/29/24/21/986292421.db2.gz IASAHLZPRSNCHG-MRXNPFEDSA-N 1 0 407.489 3.911 20 5 HHBDRO COc1ccc([C@H](C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000468643307 986358585 /nfs/dbraw/zinc/35/85/85/986358585.db2.gz OVQGKNVLAXTYRN-JRTNDBBKSA-N 1 0 411.502 3.670 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000468647040 986361172 /nfs/dbraw/zinc/36/11/72/986361172.db2.gz ZUFFNIHWXNSZJS-SSZFMOIBSA-N 1 0 403.548 3.722 20 5 HHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1cccc(Br)c1 ZINC000463421192 986392624 /nfs/dbraw/zinc/39/26/24/986392624.db2.gz YDBDFLVKKNKQAT-UHFFFAOYSA-N 1 0 406.280 3.860 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463444148 986423368 /nfs/dbraw/zinc/42/33/68/986423368.db2.gz QNIMGEBCNGFPCD-HSZRJFAPSA-N 1 0 411.502 3.549 20 5 HHBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)CC[C@H]21 ZINC000444249237 986443318 /nfs/dbraw/zinc/44/33/18/986443318.db2.gz SOIVLLLEAMHEBK-BFUOFWGJSA-N 1 0 411.452 3.516 20 5 HHBDRO C[C@H](CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[NH+]1CCCCC1 ZINC000444289500 986477563 /nfs/dbraw/zinc/47/75/63/986477563.db2.gz GDYIIDQSVINFPR-CQSZACIVSA-N 1 0 413.468 3.954 20 5 HHBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc(F)cc3c(=O)c4cc(F)ccc4[nH]c13)CC2 ZINC000444299174 986485444 /nfs/dbraw/zinc/48/54/44/986485444.db2.gz SODVPPFPEVYKCM-UHFFFAOYSA-N 1 0 411.452 3.660 20 5 HHBDRO O=C1[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCN1Cc1ccc(F)cc1F ZINC000468995569 986701419 /nfs/dbraw/zinc/70/14/19/986701419.db2.gz MAKBLCVYJPWUFO-NAASZUNDSA-N 1 0 401.413 3.667 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000444767931 986927844 /nfs/dbraw/zinc/92/78/44/986927844.db2.gz RYBIILVJCQKTKQ-VIFPVBQESA-N 1 0 414.281 3.717 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[NH+]2CCCC2)cc1 ZINC000444894515 987043602 /nfs/dbraw/zinc/04/36/02/987043602.db2.gz ITGSKUCWPMAMPO-LJQANCHMSA-N 1 0 414.462 3.571 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469446007 987132971 /nfs/dbraw/zinc/13/29/71/987132971.db2.gz JQSKBTRLMBUZCQ-KRWDZBQOSA-N 1 0 404.413 3.792 20 5 HHBDRO C[NH+](C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1cccc(C(F)(F)F)c1 ZINC000469544420 987216719 /nfs/dbraw/zinc/21/67/19/987216719.db2.gz IQJNKWUDFQGOET-INIZCTEOSA-N 1 0 405.380 4.272 20 5 HHBDRO C[C@@H]([NH2+]C1(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCOCC1)c1ccccc1 ZINC000470137660 988043910 /nfs/dbraw/zinc/04/39/10/988043910.db2.gz LXCWSSMQXHOMNC-OAHLLOKOSA-N 1 0 416.453 3.755 20 5 HHBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)[C@H]1C ZINC000470156130 988065963 /nfs/dbraw/zinc/06/59/63/988065963.db2.gz JKYHWYNIXGUOBC-HNAYVOBHSA-N 1 0 414.458 3.566 20 5 HHBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)[C@@H]1C ZINC000470156129 988066064 /nfs/dbraw/zinc/06/60/64/988066064.db2.gz JKYHWYNIXGUOBC-DNVCBOLYSA-N 1 0 414.458 3.566 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000463963382 988075896 /nfs/dbraw/zinc/07/58/96/988075896.db2.gz GZPSBNIOZHQQOG-ROUUACIJSA-N 1 0 418.538 3.955 20 5 HHBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000470224018 988153848 /nfs/dbraw/zinc/15/38/48/988153848.db2.gz RXJDIZVCXABJFJ-HNNXBMFYSA-N 1 0 400.504 3.522 20 5 HHBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000464345516 988492877 /nfs/dbraw/zinc/49/28/77/988492877.db2.gz ZHBYHNVCAZNACD-CQSZACIVSA-N 1 0 415.412 3.530 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000470626768 988640456 /nfs/dbraw/zinc/64/04/56/988640456.db2.gz OCRUBTQWXXOMRD-SFHVURJKSA-N 1 0 402.539 3.823 20 5 HHBDRO CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470675215 988699591 /nfs/dbraw/zinc/69/95/91/988699591.db2.gz YLMYBAMELMTAMM-HXUWFJFHSA-N 1 0 408.502 3.906 20 5 HHBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000464635912 988812096 /nfs/dbraw/zinc/81/20/96/988812096.db2.gz QEFHXUQLPJGKIX-ZDUSSCGKSA-N 1 0 403.483 3.543 20 5 HHBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000464673527 988872463 /nfs/dbraw/zinc/87/24/63/988872463.db2.gz VAHPRFUTPALMKF-ZWKOTPCHSA-N 1 0 402.539 3.635 20 5 HHBDRO C[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000464837140 989080210 /nfs/dbraw/zinc/08/02/10/989080210.db2.gz SOTTZUSQWALUIJ-KRWDZBQOSA-N 1 0 407.474 3.741 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCCO)[C@@H]3CCCc4ccccc43)o2)cc1 ZINC000471025665 989097381 /nfs/dbraw/zinc/09/73/81/989097381.db2.gz OBHJKUJJHUAXPF-HXUWFJFHSA-N 1 0 408.458 3.907 20 5 HHBDRO Cc1c(NC(=O)CC[N@H+](CCCO)[C@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000471030659 989102469 /nfs/dbraw/zinc/10/24/69/989102469.db2.gz UXQXNQINXMBZPL-QFIPXVFZSA-N 1 0 411.502 3.994 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000471034246 989107383 /nfs/dbraw/zinc/10/73/83/989107383.db2.gz YFEWHHRPESIMMV-UHFFFAOYSA-N 1 0 413.474 3.745 20 5 HHBDRO Cc1c(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cccc1[N+](=O)[O-] ZINC000471116319 989220012 /nfs/dbraw/zinc/22/00/12/989220012.db2.gz MGESLWUCSNLPOK-UHFFFAOYSA-N 1 0 400.401 3.830 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N3CC[N@H+](C)CC34CCCCC4)cc2[N+](=O)[O-])CC1 ZINC000471141556 989253843 /nfs/dbraw/zinc/25/38/43/989253843.db2.gz ZNTNQQYIZUAGOJ-UHFFFAOYSA-N 1 0 414.550 3.922 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000471276216 989427783 /nfs/dbraw/zinc/42/77/83/989427783.db2.gz GFWOVGSUKFDYHK-QGZVFWFLSA-N 1 0 422.510 3.970 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000471279185 989432184 /nfs/dbraw/zinc/43/21/84/989432184.db2.gz XSEKWXCDUQXEMD-HNNXBMFYSA-N 1 0 407.392 3.866 20 5 HHBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000471428384 989606354 /nfs/dbraw/zinc/60/63/54/989606354.db2.gz RQXCXNMXNMUREW-UHFFFAOYSA-N 1 0 412.490 3.560 20 5 HHBDRO C[C@@H](CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000471457336 989643496 /nfs/dbraw/zinc/64/34/96/989643496.db2.gz DXZPXNRVKAAQBR-KRWDZBQOSA-N 1 0 421.501 3.636 20 5 HHBDRO CCCOc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCCC ZINC000466038128 991208730 /nfs/dbraw/zinc/20/87/30/991208730.db2.gz KEQUWGVIQPGCKW-GJZGRUSLSA-N 1 0 408.499 3.777 20 5 HHBDRO COc1ccc([C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000466427736 991717383 /nfs/dbraw/zinc/71/73/83/991717383.db2.gz DFMZKLONTRBTDW-FQEVSTJZSA-N 1 0 401.438 3.700 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000466470770 991761603 /nfs/dbraw/zinc/76/16/03/991761603.db2.gz PKRYEZQEWJXWBR-UHFFFAOYSA-N 1 0 417.897 3.712 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000466569132 991883571 /nfs/dbraw/zinc/88/35/71/991883571.db2.gz BIPTYYXRRYUDJD-UHFFFAOYSA-N 1 0 416.909 3.960 20 5 HHBDRO Cc1sc(S(=O)(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467051255 992359827 /nfs/dbraw/zinc/35/98/27/992359827.db2.gz NAUMTZXXGTVHKM-WMLDXEAASA-N 1 0 423.560 3.544 20 5 HHBDRO COC[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000467123024 992437253 /nfs/dbraw/zinc/43/72/53/992437253.db2.gz UNHYWGZNSDGDBB-GJZGRUSLSA-N 1 0 418.519 3.794 20 5 HHBDRO C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000467214079 992538242 /nfs/dbraw/zinc/53/82/42/992538242.db2.gz DTENENWAZGTWNC-QAPCUYQASA-N 1 0 416.909 3.958 20 5 HHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467215298 992539871 /nfs/dbraw/zinc/53/98/71/992539871.db2.gz GWPVDRSVQZGJRU-LIRRHRJNSA-N 1 0 402.882 3.568 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000467232423 992554121 /nfs/dbraw/zinc/55/41/21/992554121.db2.gz XKABPWCHUOUKBO-WMLDXEAASA-N 1 0 402.882 3.710 20 5 HHBDRO COCC[C@H]1CCCC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000467279899 992601880 /nfs/dbraw/zinc/60/18/80/992601880.db2.gz URWMBBSRTQMHEE-CQSZACIVSA-N 1 0 402.438 3.886 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CCC[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000467666119 992924865 /nfs/dbraw/zinc/92/48/65/992924865.db2.gz LVQKCWSJSBWUFN-HDICACEKSA-N 1 0 402.539 3.635 20 5 HHBDRO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cccc([N+](=O)[O-])c1 ZINC000467869952 993099381 /nfs/dbraw/zinc/09/93/81/993099381.db2.gz XHCSWZRACNKRRR-OAHLLOKOSA-N 1 0 423.560 3.724 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000472510990 993506031 /nfs/dbraw/zinc/50/60/31/993506031.db2.gz AKXWLCDMZZSDND-CYGODWOOSA-N 1 0 411.502 3.637 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000472517971 993510693 /nfs/dbraw/zinc/51/06/93/993510693.db2.gz HBOZZDFYOJBZBP-IAGOWNOFSA-N 1 0 413.543 3.960 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)c1C ZINC000481014971 993857955 /nfs/dbraw/zinc/85/79/55/993857955.db2.gz HDODCAVTFBIRKV-UHFFFAOYSA-N 1 0 403.504 3.503 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2[N+](=O)[O-])n1 ZINC000481256454 994079350 /nfs/dbraw/zinc/07/93/50/994079350.db2.gz SAZSYZOYIOECLK-CABCVRRESA-N 1 0 418.544 3.868 20 5 HHBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000481302442 994118621 /nfs/dbraw/zinc/11/86/21/994118621.db2.gz BRQBZGTWZUWBSZ-UHFFFAOYSA-N 1 0 419.485 3.521 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000481375480 994207020 /nfs/dbraw/zinc/20/70/20/994207020.db2.gz RJNHIEORZXGIQZ-UHFFFAOYSA-N 1 0 421.494 3.640 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000481377830 994209129 /nfs/dbraw/zinc/20/91/29/994209129.db2.gz VQBRHAUAJFBCSN-CRAIPNDOSA-N 1 0 423.560 3.635 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000481379480 994210980 /nfs/dbraw/zinc/21/09/80/994210980.db2.gz ZTZNYQMOFBYUKV-KRWDZBQOSA-N 1 0 417.531 3.716 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H](OC)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000481387821 994219099 /nfs/dbraw/zinc/21/90/99/994219099.db2.gz CMOMNSXMWJUGMC-BUXKBTBVSA-N 1 0 407.854 3.561 20 5 HHBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000481492119 994325483 /nfs/dbraw/zinc/32/54/83/994325483.db2.gz GVPPWVNVNWOENA-DJJJIMSYSA-N 1 0 419.865 3.912 20 5 HHBDRO CC(C)(CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000481560890 994395337 /nfs/dbraw/zinc/39/53/37/994395337.db2.gz YCSRREBMYOWDEP-UHFFFAOYSA-N 1 0 419.469 3.944 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc1SC ZINC000481969542 994859220 /nfs/dbraw/zinc/85/92/20/994859220.db2.gz VZUJPBUYRAJNJQ-UHFFFAOYSA-N 1 0 403.504 3.577 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000482054149 994981544 /nfs/dbraw/zinc/98/15/44/994981544.db2.gz OYSALRVHXTULMS-PKOBYXMFSA-N 1 0 419.485 3.563 20 5 HHBDRO COc1cccc([C@H]2[C@H](NC(=O)CCc3cccc([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000482068644 995002186 /nfs/dbraw/zinc/00/21/86/995002186.db2.gz AFZQLAYTCGFIKW-GGAORHGYSA-N 1 0 409.486 3.630 20 5 HHBDRO COc1cccc([C@H]2[C@@H](NC(=O)Cc3cccc([N+](=O)[O-])c3C)CC[N@@H+]2C2CC2)c1 ZINC000482096544 995039114 /nfs/dbraw/zinc/03/91/14/995039114.db2.gz BMQCFQOHFCRFDP-REWPJTCUSA-N 1 0 409.486 3.549 20 5 HHBDRO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000482168733 995127779 /nfs/dbraw/zinc/12/77/79/995127779.db2.gz ZWNKNASJYNCBEI-HXUWFJFHSA-N 1 0 418.925 3.933 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2OC)[NH+]2CCCCC2)cc1 ZINC000474200867 995195897 /nfs/dbraw/zinc/19/58/97/995195897.db2.gz VJERBBWYNRTHIM-HXUWFJFHSA-N 1 0 413.474 3.569 20 5 HHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(Cl)cc3-n3cncn3)CC2)cc1 ZINC000474277995 995273951 /nfs/dbraw/zinc/27/39/51/995273951.db2.gz VYGMWJXJNAPTML-UHFFFAOYSA-N 1 0 413.865 3.872 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000474351630 995331276 /nfs/dbraw/zinc/33/12/76/995331276.db2.gz LVNKXFKQIBWNGL-ZSEKCTLFSA-N 1 0 402.422 3.699 20 5 HHBDRO COC1CCN(C2(C[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CCCC2)CC1 ZINC000482640284 995634963 /nfs/dbraw/zinc/63/49/63/995634963.db2.gz UUKAVYDLNFQRDZ-OAQYLSRUSA-N 1 0 401.551 3.929 20 5 HHBDRO CCOc1cc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])cc1OCC ZINC000482754844 995726987 /nfs/dbraw/zinc/72/69/87/995726987.db2.gz KXPBSMRIECMNPN-UHFFFAOYSA-N 1 0 420.510 3.874 20 5 HHBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000482878797 995812072 /nfs/dbraw/zinc/81/20/72/995812072.db2.gz FZPFSMVQRNHTKY-UHFFFAOYSA-N 1 0 409.577 3.555 20 5 HHBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000482913344 995842563 /nfs/dbraw/zinc/84/25/63/995842563.db2.gz YNXXIBAGWPKEJI-KRWDZBQOSA-N 1 0 419.884 3.958 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000475122540 995936399 /nfs/dbraw/zinc/93/63/99/995936399.db2.gz VWYQSBQFULELAB-DNVCBOLYSA-N 1 0 414.458 3.738 20 5 HHBDRO CC(C)[C@H](CCO)[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000475129354 995941124 /nfs/dbraw/zinc/94/11/24/995941124.db2.gz JRZBCDFAPUEFLO-HKUYNNGSSA-N 1 0 405.882 3.925 20 5 HHBDRO COc1c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cccc1[N+](=O)[O-] ZINC000475383570 996103949 /nfs/dbraw/zinc/10/39/49/996103949.db2.gz MWSDWQAUXQBWFD-UHFFFAOYSA-N 1 0 401.488 3.713 20 5 HHBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000475426954 996130994 /nfs/dbraw/zinc/13/09/94/996130994.db2.gz FDDHKQJHMCFVRU-KRWDZBQOSA-N 1 0 401.438 3.874 20 5 HHBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C[C@H]1[NH+]1CCCC1 ZINC000483374462 996135632 /nfs/dbraw/zinc/13/56/32/996135632.db2.gz AKOVLPFCXQUQID-IEBWSBKVSA-N 1 0 423.604 3.995 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000483398134 996150922 /nfs/dbraw/zinc/15/09/22/996150922.db2.gz TXBBITXINSBXHD-AEFFLSMTSA-N 1 0 409.577 3.749 20 5 HHBDRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000475583861 996231630 /nfs/dbraw/zinc/23/16/30/996231630.db2.gz NYOPDWUNFKBHRP-UHFFFAOYSA-N 1 0 423.263 3.541 20 5 HHBDRO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000475618686 996252391 /nfs/dbraw/zinc/25/23/91/996252391.db2.gz OVVSSPLPNWRIBS-UHFFFAOYSA-N 1 0 402.447 3.647 20 5 HHBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483591797 996272098 /nfs/dbraw/zinc/27/20/98/996272098.db2.gz KUCMUMHVCSLVHP-TZIWHRDSSA-N 1 0 408.502 3.520 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C)[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000475713854 996317357 /nfs/dbraw/zinc/31/73/57/996317357.db2.gz FSJUEHASQRJTHJ-QKKBWIMNSA-N 1 0 402.422 3.869 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000484626105 996959159 /nfs/dbraw/zinc/95/91/59/996959159.db2.gz XZVRVXXPIXKEIV-LSDHHAIUSA-N 1 0 410.421 3.717 20 5 HHBDRO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000484656939 996994480 /nfs/dbraw/zinc/99/44/80/996994480.db2.gz UCNNZVCVSPUOFK-SLYNCCJLSA-N 1 0 400.475 3.623 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1Oc1ccccc1C ZINC000484660308 996998788 /nfs/dbraw/zinc/99/87/88/996998788.db2.gz ZNGZFSJSNHDCNB-PXNSSMCTSA-N 1 0 413.474 3.830 20 5 HHBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(OC(F)(F)F)cc1 ZINC000484862258 997227138 /nfs/dbraw/zinc/22/71/38/997227138.db2.gz MFTSWRHNBKUOCJ-LBPRGKRZSA-N 1 0 409.364 3.733 20 5 HHBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000484905160 997275778 /nfs/dbraw/zinc/27/57/78/997275778.db2.gz FSDCCEISWVLTHV-QGZVFWFLSA-N 1 0 417.456 3.834 20 5 HHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000484944868 997322147 /nfs/dbraw/zinc/32/21/47/997322147.db2.gz AYSGIYNUKQNKSY-OALUTQOASA-N 1 0 409.486 3.588 20 5 HHBDRO Cc1cc(S(=O)(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000477113318 997767586 /nfs/dbraw/zinc/76/75/86/997767586.db2.gz SRSHJTLWHPPBNJ-KRWDZBQOSA-N 1 0 409.552 3.568 20 5 HHBDRO Cc1ccc(S(=O)(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000477120076 997775764 /nfs/dbraw/zinc/77/57/64/997775764.db2.gz LDDFFPOGFFCEET-QGZVFWFLSA-N 1 0 409.552 3.568 20 5 HHBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000477284126 997965076 /nfs/dbraw/zinc/96/50/76/997965076.db2.gz UEDAMYPMMHNYLT-UHFFFAOYSA-N 1 0 416.909 3.946 20 5 HHBDRO CSc1cccc(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000485512332 997968739 /nfs/dbraw/zinc/96/87/39/997968739.db2.gz BUMRFTIZSTZAPJ-AWEZNQCLSA-N 1 0 400.504 3.667 20 5 HHBDRO CSc1cccc(C(=O)Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)c1[N+](=O)[O-] ZINC000485520126 997976582 /nfs/dbraw/zinc/97/65/82/997976582.db2.gz PQPFTVBXCPFHBV-UHFFFAOYSA-N 1 0 415.515 3.698 20 5 HHBDRO CSc1cccc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000485519775 997976757 /nfs/dbraw/zinc/97/67/57/997976757.db2.gz XNPUYSWRHJAHGA-UHFFFAOYSA-N 1 0 400.504 3.700 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000477300664 997987629 /nfs/dbraw/zinc/98/76/29/997987629.db2.gz ZDCPSOADAFVDHI-NRFANRHFSA-N 1 0 404.470 3.783 20 5 HHBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000485659567 998111056 /nfs/dbraw/zinc/11/10/56/998111056.db2.gz BZZFUVQEFFGAKI-UHFFFAOYSA-N 1 0 409.389 3.779 20 5 HHBDRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000485707768 998173687 /nfs/dbraw/zinc/17/36/87/998173687.db2.gz YFYVFLRQQVHASH-MRXNPFEDSA-N 1 0 403.504 3.636 20 5 HHBDRO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000485940866 998385432 /nfs/dbraw/zinc/38/54/32/998385432.db2.gz MZUHJAUVLMEJLT-IBGZPJMESA-N 1 0 409.486 3.874 20 5 HHBDRO COCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000485991455 998433490 /nfs/dbraw/zinc/43/34/90/998433490.db2.gz VIRHCCOXGNUUSF-UHFFFAOYSA-N 1 0 415.515 3.587 20 5 HHBDRO CSc1cccc(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)c1[N+](=O)[O-] ZINC000486203654 998642556 /nfs/dbraw/zinc/64/25/56/998642556.db2.gz KODMREYXKYJGIG-UHFFFAOYSA-N 1 0 421.563 3.860 20 5 HHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000486300802 998702362 /nfs/dbraw/zinc/70/23/62/998702362.db2.gz VAALPIALYZLJJM-HNAYVOBHSA-N 1 0 416.909 3.925 20 5 HHBDRO COc1ccc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000477990727 998703130 /nfs/dbraw/zinc/70/31/30/998703130.db2.gz USTMAVVKOVJKLR-UHFFFAOYSA-N 1 0 417.893 3.995 20 5 HHBDRO COc1ccc(NC(=O)CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000478051626 998737003 /nfs/dbraw/zinc/73/70/03/998737003.db2.gz CIRINUNYLYGMEX-QGZVFWFLSA-N 1 0 418.538 3.518 20 5 HHBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])C2)CC1 ZINC000486444542 998771805 /nfs/dbraw/zinc/77/18/05/998771805.db2.gz XCDQELWILSQNOV-FQEVSTJZSA-N 1 0 423.513 3.978 20 5 HHBDRO C[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000486549443 998820446 /nfs/dbraw/zinc/82/04/46/998820446.db2.gz NTSARVGTDDGARQ-OAHLLOKOSA-N 1 0 403.429 3.539 20 5 HHBDRO COC(=O)c1cnc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000478259287 998850096 /nfs/dbraw/zinc/85/00/96/998850096.db2.gz MOBNIHNIRUMCEE-QGZVFWFLSA-N 1 0 404.854 3.679 20 5 HHBDRO CC[NH+](CC)[C@H](CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000478290491 998867941 /nfs/dbraw/zinc/86/79/41/998867941.db2.gz LQANZANGEUAKTC-QGZVFWFLSA-N 1 0 406.870 3.925 20 5 HHBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000478417692 998947199 /nfs/dbraw/zinc/94/71/99/998947199.db2.gz NIUNGNHZKYSMRN-UHFFFAOYSA-N 1 0 408.487 3.838 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2C)[NH+]2CCCC2)cc1 ZINC000478444058 998961983 /nfs/dbraw/zinc/96/19/83/998961983.db2.gz LLZCSQJFHTWWLN-OAQYLSRUSA-N 1 0 412.490 3.548 20 5 HHBDRO Cc1c(C[NH2+][C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cccc1[N+](=O)[O-] ZINC000478501259 998996863 /nfs/dbraw/zinc/99/68/63/998996863.db2.gz QAYUAKUECSOPJQ-AWEZNQCLSA-N 1 0 410.474 3.759 20 5 HHBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000478506823 998999777 /nfs/dbraw/zinc/99/97/77/998999777.db2.gz OLFJYWWFMSEJTD-KRWDZBQOSA-N 1 0 417.531 3.929 20 5 HHBDRO C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487386647 999155763 /nfs/dbraw/zinc/15/57/63/999155763.db2.gz GYCAFOFQADOUQZ-PXNSSMCTSA-N 1 0 406.486 3.576 20 5 HHBDRO C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487423096 999171321 /nfs/dbraw/zinc/17/13/21/999171321.db2.gz YKDLIMGVYHNWNW-SJLPKXTDSA-N 1 0 406.486 3.645 20 5 HHBDRO C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000488041944 999356949 /nfs/dbraw/zinc/35/69/49/999356949.db2.gz AGXRVKHFZLKDSG-MRXNPFEDSA-N 1 0 407.474 3.511 20 5 HHBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC1CC[NH+](C2CCCCC2)CC1 ZINC000488319697 999438457 /nfs/dbraw/zinc/43/84/57/999438457.db2.gz AHXCXFZXPSVVKD-UHFFFAOYSA-N 1 0 408.930 3.887 20 5 HHBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000479503731 999447722 /nfs/dbraw/zinc/44/77/22/999447722.db2.gz OYYUYQCOCVOMKR-SJCJKPOMSA-N 1 0 409.364 3.950 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000488459541 999493078 /nfs/dbraw/zinc/49/30/78/999493078.db2.gz GIRZABJXOSQDGZ-UZLBHIALSA-N 1 0 408.502 3.810 20 5 HHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000488689518 999574028 /nfs/dbraw/zinc/57/40/28/999574028.db2.gz LQJPUEKMPOTWGA-HNNXBMFYSA-N 1 0 415.515 3.671 20 5 HHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000488882799 999635878 /nfs/dbraw/zinc/63/58/78/999635878.db2.gz CWEBQVLKBLCSAS-OAHLLOKOSA-N 1 0 417.506 3.995 20 5 HHBDRO COc1cc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc([N+](=O)[O-])c1C ZINC000479941217 999656828 /nfs/dbraw/zinc/65/68/28/999656828.db2.gz QDMLTGUSXHQBHL-UHFFFAOYSA-N 1 0 415.515 3.755 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000489135667 999709331 /nfs/dbraw/zinc/70/93/31/999709331.db2.gz HSQWYTFKHDDPJJ-LEWJYISDSA-N 1 0 423.561 3.893 20 5 HHBDRO O=C(CSc1ccccc1[N+](=O)[O-])Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000489453020 999770630 /nfs/dbraw/zinc/77/06/30/999770630.db2.gz PTLYZVVARYKLQP-UHFFFAOYSA-N 1 0 403.529 3.874 20 5 HHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000480404079 999790781 /nfs/dbraw/zinc/79/07/81/999790781.db2.gz OEUVLQFPVKYRDT-APWZRJJASA-N 1 0 419.485 3.807 20 5 HHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000480404080 999790802 /nfs/dbraw/zinc/79/08/02/999790802.db2.gz OEUVLQFPVKYRDT-LPHOPBHVSA-N 1 0 419.485 3.807 20 5 HHBDRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000480460352 999804204 /nfs/dbraw/zinc/80/42/04/999804204.db2.gz KGALBVUAPUSULH-UZUQRXQVSA-N 1 0 408.502 3.715 20 5 HHBDRO COc1cccc([C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[NH+](C)C)c1 ZINC000489870845 999852042 /nfs/dbraw/zinc/85/20/42/999852042.db2.gz IIFLWOKHOMGODM-NRFANRHFSA-N 1 0 412.490 3.580 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000480671858 999855809 /nfs/dbraw/zinc/85/58/09/999855809.db2.gz SWHWXHLPQRBLIV-CVEARBPZSA-N 1 0 406.504 3.815 20 5 HHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480685555 999858916 /nfs/dbraw/zinc/85/89/16/999858916.db2.gz AHTGZRJPGXXOGI-QKKBWIMNSA-N 1 0 411.437 3.564 20 5 HHBDRO C[NH+]1CCN(c2ncccc2CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000490178190 999905477 /nfs/dbraw/zinc/90/54/77/999905477.db2.gz JZARIQBWZDUPNF-QHCPKHFHSA-N 1 0 417.513 3.621 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000490216727 999912740 /nfs/dbraw/zinc/91/27/40/999912740.db2.gz OCCQOZPJMHHSPP-HXUWFJFHSA-N 1 0 407.474 3.956 20 5 HHBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CCSC1 ZINC000490903375 1000021505 /nfs/dbraw/zinc/02/15/05/1000021505.db2.gz QDZAWPRZEUHRGH-HXUWFJFHSA-N 1 0 417.556 3.913 20 5 HHBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c2ccccc2)c1 ZINC000491008014 1000033546 /nfs/dbraw/zinc/03/35/46/1000033546.db2.gz OZTGRODRRRIJJD-GCJKJVERSA-N 1 0 414.408 3.992 20 5 HHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000491258851 1000059677 /nfs/dbraw/zinc/05/96/77/1000059677.db2.gz MGISZGRXJNPCSQ-UHFFFAOYSA-N 1 0 400.483 3.501 20 5 HHBDRO COc1cc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000493733363 1000188561 /nfs/dbraw/zinc/18/85/61/1000188561.db2.gz FCENDXOESYHCRC-BFUOFWGJSA-N 1 0 402.438 3.788 20 5 HHBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)CC[C@@H]21 ZINC000493933423 1000223365 /nfs/dbraw/zinc/22/33/65/1000223365.db2.gz RUZQFUCEFSHVHG-AVRDEDQJSA-N 1 0 408.502 3.763 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000493999690 1000260592 /nfs/dbraw/zinc/26/05/92/1000260592.db2.gz LHWLHGYUTAUBCB-ICSRJNTNSA-N 1 0 405.401 3.630 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000494046357 1000281928 /nfs/dbraw/zinc/28/19/28/1000281928.db2.gz CYNMYKXCUZUBNV-XJKSGUPXSA-N 1 0 400.317 3.906 20 5 HHBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCc3cc[nH]c(=O)c3C2)cc1OC ZINC000494069871 1000293611 /nfs/dbraw/zinc/29/36/11/1000293611.db2.gz SHKNAQXYSUQBHX-CQSZACIVSA-N 1 0 401.463 3.687 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1[N+](=O)[O-] ZINC000504893030 1000432323 /nfs/dbraw/zinc/43/23/23/1000432323.db2.gz AYTKBLQHQNSTGQ-DOTOQJQBSA-N 1 0 415.490 3.940 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000504911211 1000443553 /nfs/dbraw/zinc/44/35/53/1000443553.db2.gz CADWIKKGUABNLL-HOCLYGCPSA-N 1 0 423.560 3.724 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000504911510 1000443580 /nfs/dbraw/zinc/44/35/80/1000443580.db2.gz HMZBKNOLRUBMAM-QVKFZJNVSA-N 1 0 413.474 3.962 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]C2CCC(C(=O)N3CCSCC3)CC2)cc1[N+](=O)[O-] ZINC000504927672 1000452929 /nfs/dbraw/zinc/45/29/29/1000452929.db2.gz SIDINFRMZHHIOF-HJOIGYKYSA-N 1 0 421.563 3.778 20 5 HHBDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000494489464 1000519791 /nfs/dbraw/zinc/51/97/91/1000519791.db2.gz ATTBFRATQGOATQ-UHFFFAOYSA-N 1 0 417.531 3.891 20 5 HHBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494500537 1000526657 /nfs/dbraw/zinc/52/66/57/1000526657.db2.gz AIHQKRFMMZSKLL-PDSMFRHLSA-N 1 0 407.829 3.834 20 5 HHBDRO O=C([C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000505129526 1000565780 /nfs/dbraw/zinc/56/57/80/1000565780.db2.gz JDOCRGYPQYFAQC-GOSISDBHSA-N 1 0 401.413 3.641 20 5 HHBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000494902932 1000721477 /nfs/dbraw/zinc/72/14/77/1000721477.db2.gz KUIGMVMYEKNTAF-CYBMUJFWSA-N 1 0 402.417 3.533 20 5 HHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2C[C@@H](O)CN2Cc2ccccc2)c2ccccc2)c1 ZINC000494969377 1000757161 /nfs/dbraw/zinc/75/71/61/1000757161.db2.gz MBPCARREFBOVJL-UBFVSLLYSA-N 1 0 417.509 3.909 20 5 HHBDRO CC(C)OCCC[N@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000495024709 1000785620 /nfs/dbraw/zinc/78/56/20/1000785620.db2.gz LAHUEDQYUQYRPX-AWEZNQCLSA-N 1 0 406.508 3.792 20 5 HHBDRO CC[NH+](CC)CCNC(=O)c1ccc(OCc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000505501842 1000840382 /nfs/dbraw/zinc/84/03/82/1000840382.db2.gz UIKAOQVYZRYHFB-UHFFFAOYSA-N 1 0 407.417 3.524 20 5 HHBDRO COc1cc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000495105349 1000843785 /nfs/dbraw/zinc/84/37/85/1000843785.db2.gz BNDKHKHHJOBKHF-FPOVZHCZSA-N 1 0 411.502 3.708 20 5 HHBDRO C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+]1CCC(C)CC1 ZINC000495138230 1000879571 /nfs/dbraw/zinc/87/95/71/1000879571.db2.gz MBZODTSALKQJPM-ZDUSSCGKSA-N 1 0 402.417 3.533 20 5 HHBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)C2)C1 ZINC000505537777 1000886920 /nfs/dbraw/zinc/88/69/20/1000886920.db2.gz FOLMFLPDCXMOGH-HSZRJFAPSA-N 1 0 408.502 3.765 20 5 HHBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000495230857 1000926036 /nfs/dbraw/zinc/92/60/36/1000926036.db2.gz NIKYWPOIIYFQGK-OAHLLOKOSA-N 1 0 402.417 3.677 20 5 HHBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)C2)C1 ZINC000505632985 1000944746 /nfs/dbraw/zinc/94/47/46/1000944746.db2.gz NWCDEKDFOPHNLW-HSZRJFAPSA-N 1 0 411.452 3.517 20 5 HHBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])C2)C1 ZINC000505633509 1000945206 /nfs/dbraw/zinc/94/52/06/1000945206.db2.gz QCIXONLFRBRHDJ-QHCPKHFHSA-N 1 0 409.486 3.732 20 5 HHBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000495289947 1000954160 /nfs/dbraw/zinc/95/41/60/1000954160.db2.gz CPSRTUCDZIYHAY-QGZVFWFLSA-N 1 0 402.539 3.633 20 5 HHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCCS2(=O)=O)c1 ZINC000495433143 1001011516 /nfs/dbraw/zinc/01/15/16/1001011516.db2.gz NGUWMQLVIJGDRG-CQSZACIVSA-N 1 0 423.922 3.681 20 5 HHBDRO O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000495757839 1001072030 /nfs/dbraw/zinc/07/20/30/1001072030.db2.gz QADNXQCUFZIQTM-UHFFFAOYSA-N 1 0 423.513 3.604 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000505919536 1001101171 /nfs/dbraw/zinc/10/11/71/1001101171.db2.gz SFCCYCARFIGEMH-ZWKOTPCHSA-N 1 0 411.506 3.507 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(CC[NH+]4CCCC4)CC3)s2)cc1 ZINC000506011572 1001161867 /nfs/dbraw/zinc/16/18/67/1001161867.db2.gz DWUDWZSQRNRLLB-UHFFFAOYSA-N 1 0 400.548 3.537 20 5 HHBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000496867767 1001240350 /nfs/dbraw/zinc/24/03/50/1001240350.db2.gz ZGOPJTIDALPBGY-UHFFFAOYSA-N 1 0 401.894 3.915 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)s1 ZINC000497358893 1001307951 /nfs/dbraw/zinc/30/79/51/1001307951.db2.gz YDZRVWHZCXDPDN-UHFFFAOYSA-N 1 0 409.533 3.511 20 5 HHBDRO CC1CCN(c2ccc(C(=O)N[C@H]3C[N@H+](C)C[C@H]3c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000497433538 1001362658 /nfs/dbraw/zinc/36/26/58/1001362658.db2.gz YAYAYACRIXNBPW-SFTDATJTSA-N 1 0 422.529 3.659 20 5 HHBDRO C[C@@H]1C[C@H](CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000497539231 1001426236 /nfs/dbraw/zinc/42/62/36/1001426236.db2.gz BGPQMYGYROAFSD-AEFFLSMTSA-N 1 0 417.531 3.711 20 5 HHBDRO COc1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000506568151 1001461137 /nfs/dbraw/zinc/46/11/37/1001461137.db2.gz MBJGAWZUEOBJSL-GFCCVEGCSA-N 1 0 404.385 3.545 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000506701649 1001497915 /nfs/dbraw/zinc/49/79/15/1001497915.db2.gz ZOEHRZAJXNTKKT-UHFFFAOYSA-N 1 0 409.552 3.670 20 5 HHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000506775620 1001523806 /nfs/dbraw/zinc/52/38/06/1001523806.db2.gz JDUBQLBQANCCNW-UHFFFAOYSA-N 1 0 421.563 3.814 20 5 HHBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1Cl ZINC000498140736 1001660404 /nfs/dbraw/zinc/66/04/04/1001660404.db2.gz QXGXURFIQSHGAG-UHFFFAOYSA-N 1 0 414.849 3.989 20 5 HHBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498170779 1001673188 /nfs/dbraw/zinc/67/31/88/1001673188.db2.gz MPHDMWDQGVUYJP-UHFFFAOYSA-N 1 0 404.470 3.785 20 5 HHBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498234701 1001721533 /nfs/dbraw/zinc/72/15/33/1001721533.db2.gz LWZVGROAFCVQPE-UHFFFAOYSA-N 1 0 420.416 3.509 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000507269802 1001953322 /nfs/dbraw/zinc/95/33/22/1001953322.db2.gz KBRGBDZRYAFLAO-FQEVSTJZSA-N 1 0 423.513 3.562 20 5 HHBDRO Cc1ccc(S(=O)(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000507411491 1002057284 /nfs/dbraw/zinc/05/72/84/1002057284.db2.gz XZKYKMFCXHCPNW-KRWDZBQOSA-N 1 0 417.531 3.756 20 5 HHBDRO Cc1ccc(S(=O)(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000507411477 1002057470 /nfs/dbraw/zinc/05/74/70/1002057470.db2.gz XUIRXIDMHBYWHY-QGZVFWFLSA-N 1 0 417.531 3.614 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)C1CC1 ZINC000507621516 1002226077 /nfs/dbraw/zinc/22/60/77/1002226077.db2.gz ORVHFOCPUIBCIP-VQTJNVASSA-N 1 0 421.476 3.918 20 5 HHBDRO CC[NH+](CC)[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1cccc(OC)c1 ZINC000498845528 1002230670 /nfs/dbraw/zinc/23/06/70/1002230670.db2.gz SYDSFKWVNKZWGU-OAQYLSRUSA-N 1 0 412.490 3.983 20 5 HHBDRO CC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000499099159 1002489702 /nfs/dbraw/zinc/48/97/02/1002489702.db2.gz IBYGMBOLJFSVCO-UXHICEINSA-N 1 0 400.479 3.657 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000499444407 1002831046 /nfs/dbraw/zinc/83/10/46/1002831046.db2.gz VXDXUEYXTNRRME-UHFFFAOYSA-N 1 0 400.504 3.700 20 5 HHBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000508569469 1003034987 /nfs/dbraw/zinc/03/49/87/1003034987.db2.gz NAAJLGQZHCCBPR-IBGZPJMESA-N 1 0 407.392 3.666 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000499731307 1003078010 /nfs/dbraw/zinc/07/80/10/1003078010.db2.gz KPPJHZHZVYCIGF-OALUTQOASA-N 1 0 424.545 3.935 20 5 HHBDRO CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000499829673 1003164640 /nfs/dbraw/zinc/16/46/40/1003164640.db2.gz UPIOYVSLSRWDIX-GOSISDBHSA-N 1 0 404.470 3.880 20 5 HHBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1OC ZINC000499902302 1003235195 /nfs/dbraw/zinc/23/51/95/1003235195.db2.gz XQCGLEOYIRWCNC-KRWDZBQOSA-N 1 0 419.522 3.586 20 5 HHBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000499957415 1003276911 /nfs/dbraw/zinc/27/69/11/1003276911.db2.gz STBGPRHRNPUREF-UHFFFAOYSA-N 1 0 413.371 3.736 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000499996570 1003314433 /nfs/dbraw/zinc/31/44/33/1003314433.db2.gz QHTLYWAHNPURDX-QZTJIDSGSA-N 1 0 416.566 3.523 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000500006083 1003329595 /nfs/dbraw/zinc/32/95/95/1003329595.db2.gz CZXPYYOKVIKKEP-APWZRJJASA-N 1 0 400.479 3.722 20 5 HHBDRO C[C@H]([NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H]1CCOC1 ZINC000500214488 1003556769 /nfs/dbraw/zinc/55/67/69/1003556769.db2.gz AEHXWJXINRVNSX-OHNRDTAOSA-N 1 0 403.866 3.943 20 5 HHBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000511822653 1003792283 /nfs/dbraw/zinc/79/22/83/1003792283.db2.gz JISWSXTZQYOLNB-CQSZACIVSA-N 1 0 411.355 3.757 20 5 HHBDRO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000511826610 1003797015 /nfs/dbraw/zinc/79/70/15/1003797015.db2.gz QYDVIGDPYXWYKN-MRXNPFEDSA-N 1 0 407.392 3.926 20 5 HHBDRO COC(=O)c1cc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc([N+](=O)[O-])c1 ZINC000500770104 1003946702 /nfs/dbraw/zinc/94/67/02/1003946702.db2.gz BBBGHCBKBBNYSZ-HNNXBMFYSA-N 1 0 411.458 3.866 20 5 HHBDRO CCOc1cc(C[NH2+]CC2CC2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000509583890 1003960623 /nfs/dbraw/zinc/96/06/23/1003960623.db2.gz PJLJJIKDGPRDCT-UHFFFAOYSA-N 1 0 414.458 3.939 20 5 HHBDRO COc1cc2c(cc1OC)CC[NH+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC000512050539 1003982676 /nfs/dbraw/zinc/98/26/76/1003982676.db2.gz CRDBFFNLOFSLFY-UHFFFAOYSA-N 1 0 422.485 3.613 20 5 HHBDRO Cc1c(Br)cc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000509653069 1004007053 /nfs/dbraw/zinc/00/70/53/1004007053.db2.gz NFIYSFFFXDXEGN-UHFFFAOYSA-N 1 0 412.328 3.908 20 5 HHBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000509685232 1004028898 /nfs/dbraw/zinc/02/88/98/1004028898.db2.gz XGMDFEOTMCNOGK-GFCCVEGCSA-N 1 0 400.317 3.906 20 5 HHBDRO CN(C(=O)C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000512202384 1004103851 /nfs/dbraw/zinc/10/38/51/1004103851.db2.gz JTKMTVVLYATPBN-QGZVFWFLSA-N 1 0 412.273 3.578 20 5 HHBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512278570 1004178789 /nfs/dbraw/zinc/17/87/89/1004178789.db2.gz PWAGRHAGYHIFEZ-MBSDFSHPSA-N 1 0 408.502 3.520 20 5 HHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512292888 1004195843 /nfs/dbraw/zinc/19/58/43/1004195843.db2.gz QXICYIGTYXEGGE-JPYJTQIMSA-N 1 0 408.502 3.520 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] ZINC000512293787 1004197097 /nfs/dbraw/zinc/19/70/97/1004197097.db2.gz UUJNQHLLSSGIDT-CYFREDJKSA-N 1 0 422.529 3.828 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCCN(c4cc[nH+]c5cc(F)ccc54)CC3)nc2c1 ZINC000509905152 1004197899 /nfs/dbraw/zinc/19/78/99/1004197899.db2.gz NOIGILZMTBACKB-UHFFFAOYSA-N 1 0 406.421 3.875 20 5 HHBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCc2ccccc2C1 ZINC000512318306 1004213798 /nfs/dbraw/zinc/21/37/98/1004213798.db2.gz NFBBHJKKKMEPBT-HNNXBMFYSA-N 1 0 418.291 3.785 20 5 HHBDRO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000509963288 1004234755 /nfs/dbraw/zinc/23/47/55/1004234755.db2.gz KTUQXMQHFRGIKX-QGZVFWFLSA-N 1 0 421.453 3.624 20 5 HHBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000510004543 1004259403 /nfs/dbraw/zinc/25/94/03/1004259403.db2.gz GDCGGUCCEFKTTP-CXAGYDPISA-N 1 0 422.323 3.755 20 5 HHBDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000512415126 1004282370 /nfs/dbraw/zinc/28/23/70/1004282370.db2.gz JNVXJJJZYFKGKH-MRXNPFEDSA-N 1 0 415.490 3.992 20 5 HHBDRO C[NH+](C)C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000501233657 1004301429 /nfs/dbraw/zinc/30/14/29/1004301429.db2.gz LPZDSONTXPXAPK-KRWDZBQOSA-N 1 0 408.861 3.532 20 5 HHBDRO C[C@@H]1C[C@H](CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[N@@H+]1Cc1ccccc1 ZINC000510129389 1004344266 /nfs/dbraw/zinc/34/42/66/1004344266.db2.gz NDPNLNXGMBBSOT-QUCCMNQESA-N 1 0 420.513 3.966 20 5 HHBDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000510193359 1004388092 /nfs/dbraw/zinc/38/80/92/1004388092.db2.gz QECWNQWECBMNFV-LNLFQRSKSA-N 1 0 400.475 3.816 20 5 HHBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000512575210 1004395317 /nfs/dbraw/zinc/39/53/17/1004395317.db2.gz XPFLWQAWKUBEEO-QZTJIDSGSA-N 1 0 402.539 3.683 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512758548 1004541483 /nfs/dbraw/zinc/54/14/83/1004541483.db2.gz HMIUPWJOBXTSER-AWEZNQCLSA-N 1 0 409.533 3.509 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(c4ccnn4CCO)CC3)s2)cc1 ZINC000512824433 1004582859 /nfs/dbraw/zinc/58/28/59/1004582859.db2.gz SCUUTSMFOHVKHW-UHFFFAOYSA-N 1 0 412.515 3.892 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1[N+](=O)[O-] ZINC000512837932 1004597283 /nfs/dbraw/zinc/59/72/83/1004597283.db2.gz DNDCYSCSBCBTNQ-LJQANCHMSA-N 1 0 418.501 3.911 20 5 HHBDRO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000512843810 1004605696 /nfs/dbraw/zinc/60/56/96/1004605696.db2.gz JQWGGQUSYYVTJP-UHFFFAOYSA-N 1 0 424.501 3.534 20 5 HHBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1 ZINC000512850081 1004612834 /nfs/dbraw/zinc/61/28/34/1004612834.db2.gz HWJWAQMZVAPHAA-ZDUSSCGKSA-N 1 0 408.451 3.582 20 5 HHBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000510526087 1004654601 /nfs/dbraw/zinc/65/46/01/1004654601.db2.gz RCLAAYRTDOTSIX-KSFYIVLOSA-N 1 0 421.501 3.725 20 5 HHBDRO Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000513131289 1004823730 /nfs/dbraw/zinc/82/37/30/1004823730.db2.gz FAECKHCJGDLYAY-INIZCTEOSA-N 1 0 417.531 3.614 20 5 HHBDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000501974311 1004840251 /nfs/dbraw/zinc/84/02/51/1004840251.db2.gz UEKJYUWPDIYYDQ-HOTGVXAUSA-N 1 0 423.473 3.781 20 5 HHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)nc2c1 ZINC000513195904 1004855445 /nfs/dbraw/zinc/85/54/45/1004855445.db2.gz JRNWNMRSEXKADK-LJQANCHMSA-N 1 0 420.391 3.981 20 5 HHBDRO C[NH+](C)[C@@H](CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-])c1ccco1 ZINC000502084853 1004895335 /nfs/dbraw/zinc/89/53/35/1004895335.db2.gz OWUGHNYDJNDANH-AWEZNQCLSA-N 1 0 405.252 3.635 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000510862868 1004897903 /nfs/dbraw/zinc/89/79/03/1004897903.db2.gz XCLQVOSYPWGJEE-LJQANCHMSA-N 1 0 404.536 3.923 20 5 HHBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[NH+](C2CCCC2)CC1 ZINC000502097456 1004902001 /nfs/dbraw/zinc/90/20/01/1004902001.db2.gz KQELAYWLESYRFK-UHFFFAOYSA-N 1 0 405.296 3.970 20 5 HHBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510926374 1004936966 /nfs/dbraw/zinc/93/69/66/1004936966.db2.gz XCNJNMUDFXACED-ZFWWWQNUSA-N 1 0 424.339 3.669 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)s2)cc1 ZINC000513392061 1004940367 /nfs/dbraw/zinc/94/03/67/1004940367.db2.gz KDHHXFLTNDFBOZ-QGZVFWFLSA-N 1 0 401.532 3.868 20 5 HHBDRO O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000510960891 1004955263 /nfs/dbraw/zinc/95/52/63/1004955263.db2.gz KZXKFGSZWGMZEJ-FGZHOGPDSA-N 1 0 407.514 3.739 20 5 HHBDRO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000502329502 1005015171 /nfs/dbraw/zinc/01/51/71/1005015171.db2.gz ZXJBJUNHZOWULU-IBGZPJMESA-N 1 0 419.485 3.992 20 5 HHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511127606 1005033457 /nfs/dbraw/zinc/03/34/57/1005033457.db2.gz WITVHGQMRFVPTD-HRAATJIYSA-N 1 0 406.429 3.896 20 5 HHBDRO C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511251975 1005092006 /nfs/dbraw/zinc/09/20/06/1005092006.db2.gz RJGQJEOOOAQZAC-AEFFLSMTSA-N 1 0 400.523 3.922 20 5 HHBDRO CC[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000513735471 1005102652 /nfs/dbraw/zinc/10/26/52/1005102652.db2.gz OEEHRYFSDPUVQZ-KRWDZBQOSA-N 1 0 419.428 3.763 20 5 HHBDRO CCOc1cc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1OCC ZINC000511286827 1005108485 /nfs/dbraw/zinc/10/84/85/1005108485.db2.gz PWOGGJAMGCCOFY-OAHLLOKOSA-N 1 0 408.499 3.636 20 5 HHBDRO Cc1ccc(NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1[N+](=O)[O-] ZINC000502569408 1005123231 /nfs/dbraw/zinc/12/32/31/1005123231.db2.gz LGPMXFDQEJZZTH-KRWDZBQOSA-N 1 0 412.490 3.925 20 5 HHBDRO O=C(c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000513787547 1005127233 /nfs/dbraw/zinc/12/72/33/1005127233.db2.gz ARLDGXZXJOTYRR-GHTZIAJQSA-N 1 0 408.502 3.595 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)cc2[N+](=O)[O-])n1 ZINC000511343161 1005131757 /nfs/dbraw/zinc/13/17/57/1005131757.db2.gz KDNVSFGYMAZUCX-ZDUSSCGKSA-N 1 0 418.544 3.891 20 5 HHBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000502625853 1005147518 /nfs/dbraw/zinc/14/75/18/1005147518.db2.gz MWJKWIMHSKVYSD-ROUUACIJSA-N 1 0 416.566 3.927 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000513828936 1005149040 /nfs/dbraw/zinc/14/90/40/1005149040.db2.gz SHSHNBZWMMVVPO-SSPYTLHUSA-N 1 0 409.530 3.533 20 5 HHBDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000511476373 1005192657 /nfs/dbraw/zinc/19/26/57/1005192657.db2.gz HQZMSTONSMRNJX-JKSUJKDBSA-N 1 0 417.531 3.686 20 5 HHBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000511519610 1005208911 /nfs/dbraw/zinc/20/89/11/1005208911.db2.gz BFAUHJUUQRRUDK-GOSISDBHSA-N 1 0 402.495 3.952 20 5 HHBDRO Cn1ccnc1[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000514088746 1005260231 /nfs/dbraw/zinc/26/02/31/1005260231.db2.gz MFQGOZXCTHBJOZ-QFIPXVFZSA-N 1 0 405.502 3.803 20 5 HHBDRO Cn1ccnc1[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000514091468 1005261270 /nfs/dbraw/zinc/26/12/70/1005261270.db2.gz YZXXXXKMSVTRSJ-NRFANRHFSA-N 1 0 406.486 3.756 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@](F)(c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000502939799 1005284683 /nfs/dbraw/zinc/28/46/83/1005284683.db2.gz NAAYSVDHCZMJIN-OAQYLSRUSA-N 1 0 401.438 3.811 20 5 HHBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514159967 1005293753 /nfs/dbraw/zinc/29/37/53/1005293753.db2.gz JFODYCYUDLRYKQ-INIZCTEOSA-N 1 0 405.401 3.763 20 5 HHBDRO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000511745103 1005303839 /nfs/dbraw/zinc/30/38/39/1005303839.db2.gz RBPDHBBBMQLNPT-FCHUYYIVSA-N 1 0 401.466 3.993 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000514216135 1005317463 /nfs/dbraw/zinc/31/74/63/1005317463.db2.gz TXBMVGAAOXYIAW-LSDHHAIUSA-N 1 0 411.449 3.923 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000503495732 1005436881 /nfs/dbraw/zinc/43/68/81/1005436881.db2.gz GRCFJFSSXZVCOJ-SFHVURJKSA-N 1 0 422.485 3.908 20 5 HHBDRO COc1ccc([C@H]2C[C@H]([NH2+][C@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1F ZINC000503905419 1005508522 /nfs/dbraw/zinc/50/85/22/1005508522.db2.gz AICPLIAOKQHMDH-FRFSOERESA-N 1 0 401.438 3.995 20 5 HHBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000514512612 1006015376 /nfs/dbraw/zinc/01/53/76/1006015376.db2.gz SDOFYKSEVWVCKY-UHFFFAOYSA-N 1 0 419.485 3.696 20 5 HHBDRO CC[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCc2ccccc2C1 ZINC000534064986 1006037002 /nfs/dbraw/zinc/03/70/02/1006037002.db2.gz LURPKTGMLGUHLA-LJQANCHMSA-N 1 0 406.486 3.572 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000514576729 1006044555 /nfs/dbraw/zinc/04/45/55/1006044555.db2.gz KHTNNZSLYVWJSU-OAQYLSRUSA-N 1 0 411.502 3.806 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000531204557 1006045486 /nfs/dbraw/zinc/04/54/86/1006045486.db2.gz HLVWQDMWTTYYRK-HOTGVXAUSA-N 1 0 410.474 3.708 20 5 HHBDRO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000534106962 1006082340 /nfs/dbraw/zinc/08/23/40/1006082340.db2.gz CSTYVLQBOOJCRX-UHFFFAOYSA-N 1 0 421.501 3.784 20 5 HHBDRO Cc1cc(OCC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000514697601 1006086541 /nfs/dbraw/zinc/08/65/41/1006086541.db2.gz RSCKMGSLVVEDGO-HXUWFJFHSA-N 1 0 411.502 3.701 20 5 HHBDRO CC(C)n1cc([C@H](C)[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cn1 ZINC000514831201 1006161225 /nfs/dbraw/zinc/16/12/25/1006161225.db2.gz KWWONIJMWYCLFQ-NSHDSACASA-N 1 0 414.247 3.828 20 5 HHBDRO Cc1cc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)ccc1F ZINC000514894052 1006192727 /nfs/dbraw/zinc/19/27/27/1006192727.db2.gz RBVLLRCXLQOQFU-UHFFFAOYSA-N 1 0 400.191 3.937 20 5 HHBDRO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534359500 1006323018 /nfs/dbraw/zinc/32/30/18/1006323018.db2.gz JTXREKIRQMOTHX-WOJBJXKFSA-N 1 0 422.957 3.657 20 5 HHBDRO CCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000534361068 1006325641 /nfs/dbraw/zinc/32/56/41/1006325641.db2.gz DEPRNUZWKPEZQH-LEWJYISDSA-N 1 0 416.566 3.566 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCN(c4ncccc4F)C3)o2)c([N+](=O)[O-])c1 ZINC000531783870 1006424550 /nfs/dbraw/zinc/42/45/50/1006424550.db2.gz BNACYNOSOAJFGB-AWEZNQCLSA-N 1 0 412.421 3.766 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531811474 1006445420 /nfs/dbraw/zinc/44/54/20/1006445420.db2.gz FQTIJHILSZABCU-HRAATJIYSA-N 1 0 411.502 3.755 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3Cn3cnc4ccccc43)n2)cc1 ZINC000534581211 1006568695 /nfs/dbraw/zinc/56/86/95/1006568695.db2.gz BEHFFMXVWSCFMS-QGZVFWFLSA-N 1 0 404.430 3.659 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000532016180 1006578084 /nfs/dbraw/zinc/57/80/84/1006578084.db2.gz FHHRVBOCXGASLB-ZDUSSCGKSA-N 1 0 404.385 3.736 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)c(C)c2)CC1 ZINC000534654102 1006632596 /nfs/dbraw/zinc/63/25/96/1006632596.db2.gz OZVHFMWZNLASCE-UHFFFAOYSA-N 1 0 421.501 3.708 20 5 HHBDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000532120902 1006653056 /nfs/dbraw/zinc/65/30/56/1006653056.db2.gz WZLHNCNZDULBFH-JNDILOIQSA-N 1 0 415.309 3.864 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000534713686 1006700271 /nfs/dbraw/zinc/70/02/71/1006700271.db2.gz HNQRNNZGXPIQKY-GOSISDBHSA-N 1 0 402.539 3.823 20 5 HHBDRO COc1cc(C[NH2+][C@H](C)Cc2cc(C)n[nH]2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000532269698 1006759381 /nfs/dbraw/zinc/75/93/81/1006759381.db2.gz QBTACUHVTOATPH-OAHLLOKOSA-N 1 0 410.474 3.935 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1 ZINC000532328673 1006796264 /nfs/dbraw/zinc/79/62/64/1006796264.db2.gz COKOGVXTWYKUBY-IBGZPJMESA-N 1 0 414.469 3.818 20 5 HHBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000532545890 1006978316 /nfs/dbraw/zinc/97/83/16/1006978316.db2.gz ZSTPFCLSCUFKCX-SFHVURJKSA-N 1 0 410.518 3.766 20 5 HHBDRO COCCCOC1CC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000538719263 1006992420 /nfs/dbraw/zinc/99/24/20/1006992420.db2.gz XMCLPOGXOZRYRC-UHFFFAOYSA-N 1 0 404.463 3.881 20 5 HHBDRO Cc1cccc(NC[C@@H]2CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000532577755 1007009974 /nfs/dbraw/zinc/00/99/74/1007009974.db2.gz GMAPMALSUTWCLJ-KRWDZBQOSA-N 1 0 407.474 3.930 20 5 HHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000538733140 1007014857 /nfs/dbraw/zinc/01/48/57/1007014857.db2.gz UATYPKXUVIIAON-WMLDXEAASA-N 1 0 400.353 3.751 20 5 HHBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534984924 1007043995 /nfs/dbraw/zinc/04/39/95/1007043995.db2.gz MVVMXJYKBUNQIG-UHFFFAOYSA-N 1 0 423.513 3.878 20 5 HHBDRO C[NH+](C)CCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000516376989 1007050143 /nfs/dbraw/zinc/05/01/43/1007050143.db2.gz FEZRFBMMMVDZRZ-SSZFMOIBSA-N 1 0 410.499 3.813 20 5 HHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)n1 ZINC000516389638 1007056709 /nfs/dbraw/zinc/05/67/09/1007056709.db2.gz SYOAZWMCQNFVOX-DLBZAZTESA-N 1 0 414.441 3.687 20 5 HHBDRO C[NH+](C)C1CCN(c2ccc(NCc3cc([N+](=O)[O-])ccc3OC(F)F)nc2)CC1 ZINC000532675133 1007088294 /nfs/dbraw/zinc/08/82/94/1007088294.db2.gz VBEQNPJHLHGRRM-UHFFFAOYSA-N 1 0 421.448 3.734 20 5 HHBDRO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000532763027 1007167543 /nfs/dbraw/zinc/16/75/43/1007167543.db2.gz ANPDHKQEGFVNLA-HKUYNNGSSA-N 1 0 407.470 3.724 20 5 HHBDRO NC(=O)c1ccc(C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)cc1 ZINC000532901989 1007278229 /nfs/dbraw/zinc/27/82/29/1007278229.db2.gz GZYMNEGKLCAUDH-UHFFFAOYSA-N 1 0 406.442 3.556 20 5 HHBDRO CC1CC[NH+](Cc2ccc(CNC(=O)CCOc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000516761107 1007278464 /nfs/dbraw/zinc/27/84/64/1007278464.db2.gz JZWUBILAWFXENO-UHFFFAOYSA-N 1 0 411.502 3.912 20 5 HHBDRO COc1ccc([C@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)[NH+]2CCCC2)cc1 ZINC000535275634 1007327056 /nfs/dbraw/zinc/32/70/56/1007327056.db2.gz GNEZHOJVGGNCRY-QFIPXVFZSA-N 1 0 424.501 3.508 20 5 HHBDRO C[C@@H](c1cccnc1)N1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532971156 1007338383 /nfs/dbraw/zinc/33/83/83/1007338383.db2.gz GIZGZUKPJARAGS-KRWDZBQOSA-N 1 0 407.474 3.566 20 5 HHBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000532976955 1007348009 /nfs/dbraw/zinc/34/80/09/1007348009.db2.gz IACMDKBONOWKPN-ZBFHGGJFSA-N 1 0 401.438 3.949 20 5 HHBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)cc2)CC1 ZINC000517091979 1007403809 /nfs/dbraw/zinc/40/38/09/1007403809.db2.gz QKJDWNYSZNQYRM-UHFFFAOYSA-N 1 0 410.518 3.892 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)nc1 ZINC000533058804 1007421635 /nfs/dbraw/zinc/42/16/35/1007421635.db2.gz OABUZFWLBZYJGR-GOSISDBHSA-N 1 0 414.469 3.991 20 5 HHBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000535364557 1007421786 /nfs/dbraw/zinc/42/17/86/1007421786.db2.gz AGKWUSSEZUKBEP-SEJPIABJSA-N 1 0 408.502 3.632 20 5 HHBDRO COc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000533075168 1007438514 /nfs/dbraw/zinc/43/85/14/1007438514.db2.gz OGFNDHMHYLAQGJ-CZUORRHYSA-N 1 0 411.449 3.654 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000535440532 1007502701 /nfs/dbraw/zinc/50/27/01/1007502701.db2.gz LEQLVRDHTXOMGN-IAGOWNOFSA-N 1 0 420.513 3.891 20 5 HHBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000539224427 1007515759 /nfs/dbraw/zinc/51/57/59/1007515759.db2.gz GYVBGOOKECDPND-ZDUSSCGKSA-N 1 0 403.866 3.756 20 5 HHBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000533194356 1007530022 /nfs/dbraw/zinc/53/00/22/1007530022.db2.gz RRXCZPFZXPBOGJ-TZIWHRDSSA-N 1 0 408.502 3.763 20 5 HHBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000517398659 1007624116 /nfs/dbraw/zinc/62/41/16/1007624116.db2.gz SGQVVYQZQBIZRG-STQMWFEESA-N 1 0 403.401 3.529 20 5 HHBDRO O=C(NC[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000533371680 1007681968 /nfs/dbraw/zinc/68/19/68/1007681968.db2.gz BERXWKAEBWQLMC-MRXNPFEDSA-N 1 0 416.453 3.646 20 5 HHBDRO CC1CC[NH+]([C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c2ccccc2)CC1 ZINC000517464129 1007688672 /nfs/dbraw/zinc/68/86/72/1007688672.db2.gz JOCIMRPDYARICT-LJQANCHMSA-N 1 0 411.458 3.527 20 5 HHBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)c1ccccc1O2 ZINC000535670706 1007689896 /nfs/dbraw/zinc/68/98/96/1007689896.db2.gz JPHDSDUAMPCFDT-SFHVURJKSA-N 1 0 420.469 3.794 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000533386948 1007699977 /nfs/dbraw/zinc/69/99/77/1007699977.db2.gz RWQKIWUYGZNGSR-MRXNPFEDSA-N 1 0 404.492 3.706 20 5 HHBDRO CCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000533407061 1007716399 /nfs/dbraw/zinc/71/63/99/1007716399.db2.gz FSVIQAOFHFMUOH-AZUAARDMSA-N 1 0 410.518 3.999 20 5 HHBDRO C[C@@H]([NH2+]C1(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)CCOCC1)c1ccccc1 ZINC000535696598 1007732096 /nfs/dbraw/zinc/73/20/96/1007732096.db2.gz QYKZWSGHNUJQAI-MRXNPFEDSA-N 1 0 422.485 3.706 20 5 HHBDRO C[NH+](C)[C@H]1CCN(c2ccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)nc2)C1 ZINC000533452899 1007766836 /nfs/dbraw/zinc/76/68/36/1007766836.db2.gz WDTIUEHTCCMPSU-IBGZPJMESA-N 1 0 424.530 3.866 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000535777532 1007787742 /nfs/dbraw/zinc/78/77/42/1007787742.db2.gz GLUPBZKJSATFCN-GHTZIAJQSA-N 1 0 412.534 3.633 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2(c3cccc(Br)c3)CCC2)c1 ZINC000533507498 1007822621 /nfs/dbraw/zinc/82/26/21/1007822621.db2.gz YUQYPLRKOZPBPZ-KRWDZBQOSA-N 1 0 421.291 3.766 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cccc1[N+](=O)[O-] ZINC000533518741 1007838865 /nfs/dbraw/zinc/83/88/65/1007838865.db2.gz VWYZHYFZDRUYFB-UHFFFAOYSA-N 1 0 407.474 3.988 20 5 HHBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000536093889 1008116214 /nfs/dbraw/zinc/11/62/14/1008116214.db2.gz CSIXSNIPCCINGH-IBGZPJMESA-N 1 0 403.866 3.824 20 5 HHBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000518047013 1008126887 /nfs/dbraw/zinc/12/68/87/1008126887.db2.gz YNZLDBYIFWPDMT-LJQANCHMSA-N 1 0 408.502 3.954 20 5 HHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000533828956 1008138849 /nfs/dbraw/zinc/13/88/49/1008138849.db2.gz YSLLOQOLNUQESL-DZGCQCFKSA-N 1 0 409.450 3.512 20 5 HHBDRO CC(C)[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCc2ccccc2C1 ZINC000533883337 1008178600 /nfs/dbraw/zinc/17/86/00/1008178600.db2.gz NWDCVVMDXUDOBD-HSZRJFAPSA-N 1 0 420.513 3.818 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000539923766 1008186695 /nfs/dbraw/zinc/18/66/95/1008186695.db2.gz CPZAUJWJXDRKCZ-AZUAARDMSA-N 1 0 408.502 3.853 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1c1cccs1 ZINC000533939729 1008220385 /nfs/dbraw/zinc/22/03/85/1008220385.db2.gz TXHPJTNAHWMPMF-SZNDQCEHSA-N 1 0 412.515 3.879 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000540143668 1008310548 /nfs/dbraw/zinc/31/05/48/1008310548.db2.gz HCHCNKYZBRNGAF-LJOBPSPCSA-N 1 0 419.428 3.894 20 5 HHBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000540160125 1008316288 /nfs/dbraw/zinc/31/62/88/1008316288.db2.gz JJXRUCFBLBBGPQ-WBVHZDCISA-N 1 0 409.280 3.838 20 5 HHBDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000540168654 1008319754 /nfs/dbraw/zinc/31/97/54/1008319754.db2.gz FSJXIPKNYBORJC-UHFFFAOYSA-N 1 0 403.866 3.651 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1[N+](=O)[O-] ZINC000540219327 1008340757 /nfs/dbraw/zinc/34/07/57/1008340757.db2.gz CPPACFZCWDBXHO-HZPDHXFCSA-N 1 0 403.504 3.855 20 5 HHBDRO Cn1ccnc1C(=O)c1ccc(Nc2cccc(CC[N@H+](C)C3CC3)c2)c([N+](=O)[O-])c1 ZINC000540339489 1008387936 /nfs/dbraw/zinc/38/79/36/1008387936.db2.gz KSUINHRZJCLASZ-UHFFFAOYSA-N 1 0 419.485 3.940 20 5 HHBDRO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000540376681 1008406172 /nfs/dbraw/zinc/40/61/72/1008406172.db2.gz QUCUQCUARVCYQT-LJQANCHMSA-N 1 0 410.474 3.691 20 5 HHBDRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000540381860 1008408895 /nfs/dbraw/zinc/40/88/95/1008408895.db2.gz YDDZXZYTWAUGOX-QRWLVFNGSA-N 1 0 413.474 3.626 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000518898877 1008464773 /nfs/dbraw/zinc/46/47/73/1008464773.db2.gz HQUYLNVIESZDSS-AWEZNQCLSA-N 1 0 421.881 3.985 20 5 HHBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCOCC1 ZINC000540523628 1008466389 /nfs/dbraw/zinc/46/63/89/1008466389.db2.gz VBNAXAWHEBRJMV-GUYCJALGSA-N 1 0 418.519 3.840 20 5 HHBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCOCC1 ZINC000540523626 1008466476 /nfs/dbraw/zinc/46/64/76/1008466476.db2.gz VBNAXAWHEBRJMV-DYVFJYSZSA-N 1 0 418.519 3.840 20 5 HHBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])c1 ZINC000542985550 1008563151 /nfs/dbraw/zinc/56/31/51/1008563151.db2.gz BTFBAPQWFXBLDO-CYBMUJFWSA-N 1 0 414.384 3.535 20 5 HHBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000543129639 1008703537 /nfs/dbraw/zinc/70/35/37/1008703537.db2.gz NRXFAKUPQCSYCQ-UHFFFAOYSA-N 1 0 414.531 3.847 20 5 HHBDRO Cc1ccc(C(=O)C2CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000543139983 1008712577 /nfs/dbraw/zinc/71/25/77/1008712577.db2.gz HAIZXZFTKRZLRV-LJQANCHMSA-N 1 0 412.486 3.546 20 5 HHBDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)cc1 ZINC000519493875 1008865789 /nfs/dbraw/zinc/86/57/89/1008865789.db2.gz LIRRAZFCXDTNME-UHFFFAOYSA-N 1 0 423.469 3.992 20 5 HHBDRO COc1cc(CN2CCC(C)(CO)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000545873714 1008962557 /nfs/dbraw/zinc/96/25/57/1008962557.db2.gz KPZKLDGIMCMJKM-UHFFFAOYSA-N 1 0 400.475 3.777 20 5 HHBDRO COc1ccc(-c2ccc(C[NH+]3CCC(OC[C@@H]4CCOC4)CC3)o2)c([N+](=O)[O-])c1 ZINC000543414473 1009006830 /nfs/dbraw/zinc/00/68/30/1009006830.db2.gz CXLHJEJINVZHGK-MRXNPFEDSA-N 1 0 416.474 3.881 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c(C)c2)CC1 ZINC000543440776 1009027865 /nfs/dbraw/zinc/02/78/65/1009027865.db2.gz KZOYKXXLVXMTPM-MRXNPFEDSA-N 1 0 414.481 3.926 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000543474999 1009065121 /nfs/dbraw/zinc/06/51/21/1009065121.db2.gz WJWFIZUZABYOLI-CQSZACIVSA-N 1 0 411.437 3.907 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000543590482 1009196742 /nfs/dbraw/zinc/19/67/42/1009196742.db2.gz YVGVXYIZIPZRGF-APWZRJJASA-N 1 0 414.481 3.746 20 5 HHBDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3F)CC[N@@H+]2C2CC2)c1 ZINC000543640933 1009245289 /nfs/dbraw/zinc/24/52/89/1009245289.db2.gz ACZQHBFSLJHNOI-WOJBJXKFSA-N 1 0 414.437 3.842 20 5 HHBDRO C[NH+](C)C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000549618743 1009247735 /nfs/dbraw/zinc/24/77/35/1009247735.db2.gz XBJSYVHZOBIOBO-GOSISDBHSA-N 1 0 416.909 3.881 20 5 HHBDRO C[NH+](C)CCOc1cccc(-c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)c1 ZINC000546380147 1009388180 /nfs/dbraw/zinc/38/81/80/1009388180.db2.gz FXFKAGFQMJUFAB-UHFFFAOYSA-N 1 0 407.430 3.657 20 5 HHBDRO C[NH+](C)CCOc1cccc(-c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)c1 ZINC000546380400 1009388223 /nfs/dbraw/zinc/38/82/23/1009388223.db2.gz RDIIERIOYFQWDC-UHFFFAOYSA-N 1 0 402.838 3.829 20 5 HHBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000543844352 1009409825 /nfs/dbraw/zinc/40/98/25/1009409825.db2.gz OBSVGTAKKQQCIU-QZTJIDSGSA-N 1 0 405.539 3.946 20 5 HHBDRO CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000549831638 1009441650 /nfs/dbraw/zinc/44/16/50/1009441650.db2.gz WWGCHVQKXMDVAQ-WIYYLYMNSA-N 1 0 424.549 3.962 20 5 HHBDRO Cc1cc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543957822 1009561031 /nfs/dbraw/zinc/56/10/31/1009561031.db2.gz NOOMNMDNPDBPRM-UHFFFAOYSA-N 1 0 408.433 3.989 20 5 HHBDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000543998538 1009599610 /nfs/dbraw/zinc/59/96/10/1009599610.db2.gz MSPMRDKRTCOLQE-LBPRGKRZSA-N 1 0 422.279 3.873 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000546686281 1009680252 /nfs/dbraw/zinc/68/02/52/1009680252.db2.gz XYVNZBYWRQUESW-AWEZNQCLSA-N 1 0 411.911 3.576 20 5 HHBDRO O=C1[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCN1Cc1ccccn1 ZINC000544182840 1009786318 /nfs/dbraw/zinc/78/63/18/1009786318.db2.gz CFMKZSYCZFYTRR-IBGZPJMESA-N 1 0 422.510 3.999 20 5 HHBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000550239580 1009797283 /nfs/dbraw/zinc/79/72/83/1009797283.db2.gz WBHLGSNZCCBEFH-VGOFRKELSA-N 1 0 405.539 3.946 20 5 HHBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544195215 1009797938 /nfs/dbraw/zinc/79/79/38/1009797938.db2.gz FORDAMAUZFLUKB-MRXNPFEDSA-N 1 0 407.923 3.629 20 5 HHBDRO C[C@@H](CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000520859885 1009914673 /nfs/dbraw/zinc/91/46/73/1009914673.db2.gz JJPLKDRXNHPANG-MSOLQXFVSA-N 1 0 402.539 3.681 20 5 HHBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000520868715 1009921183 /nfs/dbraw/zinc/92/11/83/1009921183.db2.gz RZZNXAHERCAOEU-IRXDYDNUSA-N 1 0 413.522 3.729 20 5 HHBDRO COc1cc(-c2noc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)ccc1OCC[NH+](C)C ZINC000546989649 1009947411 /nfs/dbraw/zinc/94/74/11/1009947411.db2.gz TVEBSNLTLVQJQJ-IZZDOVSWSA-N 1 0 410.430 3.764 20 5 HHBDRO NC(=O)C1CC[NH+](CCc2ccc(NCc3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000544351543 1009978522 /nfs/dbraw/zinc/97/85/22/1009978522.db2.gz OKCZVKYBRDHLFR-UHFFFAOYSA-N 1 0 416.909 3.600 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]CC(C)(C)N3C[C@H](C)O[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000520954968 1010003410 /nfs/dbraw/zinc/00/34/10/1010003410.db2.gz WNDHGOVCYQQKTO-HOTGVXAUSA-N 1 0 417.506 3.841 20 5 HHBDRO C[NH+]1CCN(c2ccccc2-c2noc(CSc3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000547134505 1010083467 /nfs/dbraw/zinc/08/34/67/1010083467.db2.gz MFTJHYHCQKTKKT-UHFFFAOYSA-N 1 0 411.487 3.689 20 5 HHBDRO O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc(OCC[NH+]4CCCC4)cc3)cc2N1 ZINC000521119135 1010141331 /nfs/dbraw/zinc/14/13/31/1010141331.db2.gz YHBNYDAVUSJFSH-UHFFFAOYSA-N 1 0 410.474 3.566 20 5 HHBDRO C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccccc2)C1 ZINC000544570669 1010199967 /nfs/dbraw/zinc/19/99/67/1010199967.db2.gz QNKRPYFNHJKRDD-YTQUADARSA-N 1 0 402.516 3.931 20 5 HHBDRO CC1(c2ccccc2)CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000544571929 1010200805 /nfs/dbraw/zinc/20/08/05/1010200805.db2.gz ANHMZQAIFJCJLD-UHFFFAOYSA-N 1 0 402.516 3.859 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000547257174 1010204395 /nfs/dbraw/zinc/20/43/95/1010204395.db2.gz ODADLOGQGBYZRI-OAHLLOKOSA-N 1 0 414.481 3.748 20 5 HHBDRO COc1ccc(CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1OC ZINC000550855976 1010219397 /nfs/dbraw/zinc/21/93/97/1010219397.db2.gz GIWXHLBMDPXZSG-ZDUSSCGKSA-N 1 0 421.881 3.815 20 5 HHBDRO COc1cc(C[NH2+]C[C@@H](C)c2nc(C)cs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000544597302 1010223278 /nfs/dbraw/zinc/22/32/78/1010223278.db2.gz ZKPTVMXPMCPKGN-SNVBAGLBSA-N 1 0 401.435 3.906 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000544611779 1010237617 /nfs/dbraw/zinc/23/76/17/1010237617.db2.gz XHNOSEGMGICBGM-MRXNPFEDSA-N 1 0 405.520 3.785 20 5 HHBDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000544616249 1010241684 /nfs/dbraw/zinc/24/16/84/1010241684.db2.gz WYHIXJQOAUDGRV-NHCUHLMSSA-N 1 0 402.516 3.820 20 5 HHBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000521373747 1010340227 /nfs/dbraw/zinc/34/02/27/1010340227.db2.gz JPZIDFLTJPUINI-INIZCTEOSA-N 1 0 423.579 3.853 20 5 HHBDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000544745884 1010349648 /nfs/dbraw/zinc/34/96/48/1010349648.db2.gz IUVDRIUBMUYFCD-XLIONFOSSA-N 1 0 417.531 3.582 20 5 HHBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCC(O)CC2)c(OC(F)F)c1 ZINC000544847702 1010432507 /nfs/dbraw/zinc/43/25/07/1010432507.db2.gz VPCCIHSHZKBEIR-UHFFFAOYSA-N 1 0 407.417 3.765 20 5 HHBDRO CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544850795 1010436344 /nfs/dbraw/zinc/43/63/44/1010436344.db2.gz FEQSUJDEUFZMLC-OAQYLSRUSA-N 1 0 422.529 3.932 20 5 HHBDRO C[NH+]1CCN(c2ccccc2-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000544974044 1010530673 /nfs/dbraw/zinc/53/06/73/1010530673.db2.gz YMKPWLNQKMNRBM-UHFFFAOYSA-N 1 0 407.474 3.723 20 5 HHBDRO NC(=O)c1ccc(C[N@H+](Cc2cccs2)C2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000551424863 1010578416 /nfs/dbraw/zinc/57/84/16/1010578416.db2.gz PTXIUSCOUUBBTC-UHFFFAOYSA-N 1 0 407.495 3.925 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000521839401 1010651478 /nfs/dbraw/zinc/65/14/78/1010651478.db2.gz XWFPNOGRYZPCDK-KXBFYZLASA-N 1 0 413.474 3.848 20 5 HHBDRO C[C@H]([NH2+]C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCCC1)c1ccccc1 ZINC000521904308 1010698719 /nfs/dbraw/zinc/69/87/19/1010698719.db2.gz GACGGHGQXNTHIL-AWEZNQCLSA-N 1 0 400.454 3.710 20 5 HHBDRO CCOC(=O)C1CCC([N@H+](CC)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000548938792 1010770815 /nfs/dbraw/zinc/77/08/15/1010770815.db2.gz IHHZWAVOXQYTGQ-UHFFFAOYSA-N 1 0 405.495 3.676 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522641515 1011131073 /nfs/dbraw/zinc/13/10/73/1011131073.db2.gz MZYAOQPLJIWQSW-UHFFFAOYSA-N 1 0 423.872 3.747 20 5 HHBDRO COc1ccc(OC(F)F)c(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000540613123 1011265250 /nfs/dbraw/zinc/26/52/50/1011265250.db2.gz YUOFCYOKYULYOR-UHFFFAOYSA-N 1 0 418.400 3.895 20 5 HHBDRO CC[NH+](CC)[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccsc1 ZINC000536167478 1011297695 /nfs/dbraw/zinc/29/76/95/1011297695.db2.gz NWJMXQUCQRVPSS-LJQANCHMSA-N 1 0 400.504 3.879 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000536206780 1011352592 /nfs/dbraw/zinc/35/25/92/1011352592.db2.gz UMMGRWXEQIBXRW-QFBILLFUSA-N 1 0 402.520 3.581 20 5 HHBDRO C[C@H]1C[C@@H](N(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000536233400 1011383296 /nfs/dbraw/zinc/38/32/96/1011383296.db2.gz LXAARUBADCFZRJ-RXVVDRJESA-N 1 0 410.518 3.832 20 5 HHBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000540849335 1011513372 /nfs/dbraw/zinc/51/33/72/1011513372.db2.gz UFYOFBXUNIONRX-UHFFFAOYSA-N 1 0 424.501 3.670 20 5 HHBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1 ZINC000541112843 1011762584 /nfs/dbraw/zinc/76/25/84/1011762584.db2.gz DTMWHSIXKCWDTG-MRXNPFEDSA-N 1 0 413.474 3.693 20 5 HHBDRO O=C(Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000536639424 1011792748 /nfs/dbraw/zinc/79/27/48/1011792748.db2.gz IUXMYCUORYIHIG-UHFFFAOYSA-N 1 0 419.485 3.540 20 5 HHBDRO COC(=O)c1ccc2c(c1)C[N@@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000536707598 1011877966 /nfs/dbraw/zinc/87/79/66/1011877966.db2.gz HZUMBELXQJQNMJ-UHFFFAOYSA-N 1 0 407.426 3.637 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cc1[N+](=O)[O-] ZINC000551811818 1011969728 /nfs/dbraw/zinc/96/97/28/1011969728.db2.gz HCHQVFDINMQVTK-WNSKOXEYSA-N 1 0 422.485 3.979 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000536772925 1011978930 /nfs/dbraw/zinc/97/89/30/1011978930.db2.gz UMRNIDJSPRXHNP-CQSZACIVSA-N 1 0 412.421 3.938 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CC)CS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000536825988 1012054740 /nfs/dbraw/zinc/05/47/40/1012054740.db2.gz KKDFHNGENWBBRE-WBVHZDCISA-N 1 0 406.504 3.897 20 5 HHBDRO O=C1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000536837529 1012066915 /nfs/dbraw/zinc/06/69/15/1012066915.db2.gz GGPURTQSFRTWIH-KCZVDYSFSA-N 1 0 407.514 3.944 20 5 HHBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000536873154 1012113940 /nfs/dbraw/zinc/11/39/40/1012113940.db2.gz ZYXZEQLYLULBEZ-PXAZEXFGSA-N 1 0 409.364 3.950 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000552098822 1012115516 /nfs/dbraw/zinc/11/55/16/1012115516.db2.gz PLMPYWCQYZPJDK-ZDUSSCGKSA-N 1 0 420.897 3.930 20 5 HHBDRO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000552122811 1012140644 /nfs/dbraw/zinc/14/06/44/1012140644.db2.gz OPQPDJGZDUSEHI-IBGZPJMESA-N 1 0 415.440 3.637 20 5 HHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)s1 ZINC000552129959 1012147394 /nfs/dbraw/zinc/14/73/94/1012147394.db2.gz UEQGQWCZZYGNLZ-HXUWFJFHSA-N 1 0 402.516 3.981 20 5 HHBDRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000552199039 1012210679 /nfs/dbraw/zinc/21/06/79/1012210679.db2.gz LPPGENJFBYJHCF-GOSISDBHSA-N 1 0 424.482 3.537 20 5 HHBDRO Cn1ccnc1[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552266281 1012276955 /nfs/dbraw/zinc/27/69/55/1012276955.db2.gz FMBPAANMAXADIH-KNQAVFIVSA-N 1 0 405.502 3.529 20 5 HHBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000552269831 1012281878 /nfs/dbraw/zinc/28/18/78/1012281878.db2.gz UDPJNXDTXLQVLD-XYEHWOGUSA-N 1 0 409.486 3.641 20 5 HHBDRO O=C1CCCN1C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000537016977 1012318305 /nfs/dbraw/zinc/31/83/05/1012318305.db2.gz CEZAILXMMMUKQF-FQEVSTJZSA-N 1 0 420.469 3.746 20 5 HHBDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccc(OC(F)F)c1 ZINC000537019687 1012326542 /nfs/dbraw/zinc/32/65/42/1012326542.db2.gz MNSKFJSDLFKFCP-LBPRGKRZSA-N 1 0 407.373 3.845 20 5 HHBDRO COc1ccc(OCC[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)c([N+](=O)[O-])c1 ZINC000537041094 1012360492 /nfs/dbraw/zinc/36/04/92/1012360492.db2.gz NWJKFZWBKWDPQR-OAQYLSRUSA-N 1 0 402.447 3.740 20 5 HHBDRO COc1cc([C@@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1OC(C)C ZINC000537051020 1012376648 /nfs/dbraw/zinc/37/66/48/1012376648.db2.gz HTEYBIXNSLDISR-OAHLLOKOSA-N 1 0 413.474 3.631 20 5 HHBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000552390817 1012402514 /nfs/dbraw/zinc/40/25/14/1012402514.db2.gz UPWSYBBNCPWLKG-UHFFFAOYSA-N 1 0 410.268 3.544 20 5 HHBDRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000537074359 1012415856 /nfs/dbraw/zinc/41/58/56/1012415856.db2.gz FHEGQJNPHRFPSG-YWZLYKJASA-N 1 0 413.474 3.626 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000552439080 1012458293 /nfs/dbraw/zinc/45/82/93/1012458293.db2.gz WUGUPYGMMPYREC-FQEVSTJZSA-N 1 0 414.408 3.992 20 5 HHBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000537108118 1012478370 /nfs/dbraw/zinc/47/83/70/1012478370.db2.gz CUJVJTQADJVUQO-JKSUJKDBSA-N 1 0 410.474 3.708 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000537170430 1012575547 /nfs/dbraw/zinc/57/55/47/1012575547.db2.gz UCXHAMQSCAHQLP-RTBURBONSA-N 1 0 421.563 3.593 20 5 HHBDRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000537171453 1012576718 /nfs/dbraw/zinc/57/67/18/1012576718.db2.gz GZYWIAIACLFIOP-UHFFFAOYSA-N 1 0 422.485 3.523 20 5 HHBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000537176599 1012584606 /nfs/dbraw/zinc/58/46/06/1012584606.db2.gz PGMMPCOYBYKKDR-CYBMUJFWSA-N 1 0 411.380 3.769 20 5 HHBDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C(C)C)cc1 ZINC000541773930 1012641255 /nfs/dbraw/zinc/64/12/55/1012641255.db2.gz OLKYNENPBWLBKA-NRFANRHFSA-N 1 0 415.490 3.512 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000537242825 1012684417 /nfs/dbraw/zinc/68/44/17/1012684417.db2.gz UVRJIYQSMLXKFW-UHFFFAOYSA-N 1 0 404.470 3.861 20 5 HHBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000541960085 1012822302 /nfs/dbraw/zinc/82/23/02/1012822302.db2.gz MFRVMXSLZTYQSY-UHFFFAOYSA-N 1 0 411.449 3.924 20 5 HHBDRO C[NH+](C)CCOc1ccccc1N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000542001436 1012880980 /nfs/dbraw/zinc/88/09/80/1012880980.db2.gz IIUNHDFNOJVSLY-UHFFFAOYSA-N 1 0 418.925 3.511 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000542056391 1012970167 /nfs/dbraw/zinc/97/01/67/1012970167.db2.gz JHBNVSJHEAAHML-UHFFFAOYSA-N 1 0 417.959 3.771 20 5 HHBDRO NC(=O)c1cccc(NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000553058707 1013032782 /nfs/dbraw/zinc/03/27/82/1013032782.db2.gz LAPWBTPGSRXMSN-UHFFFAOYSA-N 1 0 410.518 3.841 20 5 HHBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@H]4CCCCN4[C@@H]4CC[NH2+]C4)n3)nc12 ZINC001212100159 1072085749 /nfs/dbraw/zinc/08/57/49/1072085749.db2.gz ASLYCYGOIUJNLI-IEBWSBKVSA-N 1 0 400.486 3.722 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000737691982 1072214617 /nfs/dbraw/zinc/21/46/17/1072214617.db2.gz PBVMNEIQIURWOJ-GOSISDBHSA-N 1 0 400.523 3.676 20 5 HHBDRO COc1ccc([C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[NH+]2CCCCC2)cc1 ZINC000913088475 1072326964 /nfs/dbraw/zinc/32/69/64/1072326964.db2.gz UDXJOGDRPMRVAO-MNTLFOFUSA-N 1 0 409.486 3.960 20 5 HHBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1 ZINC000898153080 1072431451 /nfs/dbraw/zinc/43/14/51/1072431451.db2.gz HHWCRHNDGMWRMA-UHFFFAOYSA-N 1 0 400.479 3.634 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccc(CNc3ncnc4sc([N+](=O)[O-])cc43)cc2)C[C@H](C)O1 ZINC000571113434 1072565893 /nfs/dbraw/zinc/56/58/93/1072565893.db2.gz MGJFMSKYJNWHNB-KBPBESRZSA-N 1 0 413.503 3.821 20 5 HHBDRO CCN1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000571227941 1072587862 /nfs/dbraw/zinc/58/78/62/1072587862.db2.gz JLVBGZMGEKIFLW-OXJNMPFZSA-N 1 0 419.407 3.814 20 5 HHBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000588063413 1072772665 /nfs/dbraw/zinc/77/26/65/1072772665.db2.gz FBGFQUQDKXRWCG-WMZOPIPTSA-N 1 0 411.506 3.767 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000588208913 1072943343 /nfs/dbraw/zinc/94/33/43/1072943343.db2.gz UTNMUQHECDKRDT-DLBZAZTESA-N 1 0 415.515 3.733 20 5 HHBDRO Cc1cc(C(C)(C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])ccc1Br ZINC000554958674 1073008816 /nfs/dbraw/zinc/00/88/16/1073008816.db2.gz SSTFZBFZMXYOJQ-OAHLLOKOSA-N 1 0 423.307 3.930 20 5 HHBDRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590319111 1073747514 /nfs/dbraw/zinc/74/75/14/1073747514.db2.gz SWNVNPSGAGZLNS-UHFFFAOYSA-N 1 0 423.391 3.823 20 5 HHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000555850803 1073903100 /nfs/dbraw/zinc/90/31/00/1073903100.db2.gz QJDFDHRJZGRYRK-UHFFFAOYSA-N 1 0 410.312 3.756 20 5 HHBDRO COC(=O)c1c(Cl)c(NC[C@@H](c2cccc(OC)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000590570089 1073920354 /nfs/dbraw/zinc/92/03/54/1073920354.db2.gz USFFRHGLAFKHMT-INIZCTEOSA-N 1 0 407.854 3.758 20 5 HHBDRO O=C1[C@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCN1Cc1ccccc1 ZINC000760842378 1074407290 /nfs/dbraw/zinc/40/72/90/1074407290.db2.gz XHLVQJLAADKMLL-JOCHJYFZSA-N 1 0 409.486 3.629 20 5 HHBDRO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000760886691 1074514625 /nfs/dbraw/zinc/51/46/25/1074514625.db2.gz OVXRGOQKTOWBEV-HUUCEWRRSA-N 1 0 416.478 3.985 20 5 HHBDRO O=C(CC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000573625707 1074593882 /nfs/dbraw/zinc/59/38/82/1074593882.db2.gz BSGDLGWKWOYNLM-UHFFFAOYSA-N 1 0 405.838 3.528 20 5 HHBDRO [NH3+]CC1(F)CCN(C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)CC1 ZINC001164388025 718813773 /nfs/dbraw/zinc/81/37/73/718813773.db2.gz MEXPWSFDXOAHBP-UHFFFAOYSA-N 1 0 415.803 3.517 20 5 HHBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c1 ZINC001164389622 718814198 /nfs/dbraw/zinc/81/41/98/718814198.db2.gz XDYQSQTYDUFZTM-LBPRGKRZSA-N 1 0 414.762 3.699 20 5 HHBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1 ZINC001164415032 718880078 /nfs/dbraw/zinc/88/00/78/718880078.db2.gz ZEPARFYPVZRCRH-LLVKDONJSA-N 1 0 414.762 3.841 20 5 HHBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1Cl ZINC001164624530 719044971 /nfs/dbraw/zinc/04/49/71/719044971.db2.gz OEKHYUOOFIGUHU-KDOFPFPSSA-N 1 0 408.836 3.772 20 5 HHBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1Cl ZINC001164624544 719045113 /nfs/dbraw/zinc/04/51/13/719045113.db2.gz OEKHYUOOFIGUHU-RDTXWAMCSA-N 1 0 408.836 3.772 20 5 HHBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001164621259 719045261 /nfs/dbraw/zinc/04/52/61/719045261.db2.gz IDQUYKMHMDZUCW-AEFFLSMTSA-N 1 0 408.836 3.772 20 5 HHBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)c1 ZINC001164621261 719045291 /nfs/dbraw/zinc/04/52/91/719045291.db2.gz IDQUYKMHMDZUCW-FUHWJXTLSA-N 1 0 408.836 3.772 20 5 HHBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164627212 719068389 /nfs/dbraw/zinc/06/83/89/719068389.db2.gz PWKRWBLEKOVMLE-UONOGXRCSA-N 1 0 408.289 3.792 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl ZINC001164834709 720528246 /nfs/dbraw/zinc/52/82/46/720528246.db2.gz HFZOWWBOLDJBSO-GVDBMIGSSA-N 1 0 418.929 3.526 20 5 HHBDRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164733627 720543818 /nfs/dbraw/zinc/54/38/18/720543818.db2.gz DDQARCHCMYQROL-GFCCVEGCSA-N 1 0 418.872 3.704 20 5 HHBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)cc([N+](=O)[O-])n1)CC2 ZINC001164791348 721494237 /nfs/dbraw/zinc/49/42/37/721494237.db2.gz BAHFIWJDOIDVOO-UHFFFAOYSA-N 1 0 401.898 3.919 20 5 HHBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c2ccccc21 ZINC001164903989 721529697 /nfs/dbraw/zinc/52/96/97/721529697.db2.gz DPPUTCSVJDRYBV-WMZOPIPTSA-N 1 0 408.433 3.624 20 5 HHBDRO O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164903705 721584873 /nfs/dbraw/zinc/58/48/73/721584873.db2.gz BTLAVZTWLMNIFF-GOSISDBHSA-N 1 0 423.851 3.776 20 5 HHBDRO Cc1c(C)c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164908776 721709514 /nfs/dbraw/zinc/70/95/14/721709514.db2.gz ZBEJPTXGLLWTDQ-HXUWFJFHSA-N 1 0 417.460 3.739 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@@H]21 ZINC001165023554 721819172 /nfs/dbraw/zinc/81/91/72/721819172.db2.gz HWBHZIIADATOPD-AYOQOUSVSA-N 1 0 406.490 3.603 20 5 HHBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc([N+](=O)[O-])cc(Cl)n4)CC3)C2)cc1 ZINC001164939259 721920138 /nfs/dbraw/zinc/92/01/38/721920138.db2.gz TXORRCFIUXRRIN-UHFFFAOYSA-N 1 0 416.909 3.823 20 5 HHBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000301291295 970852397 /nfs/dbraw/zinc/85/23/97/970852397.db2.gz QILKISVJMOKCAQ-HNNXBMFYSA-N 1 0 422.407 3.660 20 5 HHBDRO O=[N+]([O-])c1cc(I)ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000301370463 970891948 /nfs/dbraw/zinc/89/19/48/970891948.db2.gz PJLLPQPRICHCTF-UHFFFAOYSA-N 1 0 415.275 3.512 20 5 HHBDRO C[C@@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301447155 970931991 /nfs/dbraw/zinc/93/19/91/970931991.db2.gz OKCPDXRQJFIIMD-QGZVFWFLSA-N 1 0 408.502 3.588 20 5 HHBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301585506 970990647 /nfs/dbraw/zinc/99/06/47/970990647.db2.gz ORWHZGQKMSDULU-IAGOWNOFSA-N 1 0 418.519 3.680 20 5 HHBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC2CCC([NH+]3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000301776628 971062477 /nfs/dbraw/zinc/06/24/77/971062477.db2.gz ONGFYXSOBKKMIT-UHFFFAOYSA-N 1 0 406.483 3.759 20 5 HHBDRO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nn21 ZINC000301829843 971078917 /nfs/dbraw/zinc/07/89/17/971078917.db2.gz HCHRVJPPPDXSLY-UHFFFAOYSA-N 1 0 414.469 3.549 20 5 HHBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301898848 971105084 /nfs/dbraw/zinc/10/50/84/971105084.db2.gz XGNZYCDDRDPKII-ORAYPTAESA-N 1 0 420.872 3.852 20 5 HHBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)c1c(Br)cncc1[N+](=O)[O-] ZINC000301923074 971117911 /nfs/dbraw/zinc/11/79/11/971117911.db2.gz LKOWTTRVNRLBMT-UHFFFAOYSA-N 1 0 406.284 3.500 20 5 HHBDRO CCN1CC[C@@H](Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302003545 971149573 /nfs/dbraw/zinc/14/95/73/971149573.db2.gz YGTWCGIBDRCWRW-MJGOQNOKSA-N 1 0 420.872 3.994 20 5 HHBDRO CC(C)NC(=O)c1ccc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000302073270 971169364 /nfs/dbraw/zinc/16/93/64/971169364.db2.gz VEXPNJVGZXZQJY-MSOLQXFVSA-N 1 0 402.539 3.824 20 5 HHBDRO Cc1cc(N2CCCN(C(=O)c3ccccc3F)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302200593 971205850 /nfs/dbraw/zinc/20/58/50/971205850.db2.gz UZPYZRDLNDWFSA-UHFFFAOYSA-N 1 0 408.433 3.943 20 5 HHBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553125238 1013085688 /nfs/dbraw/zinc/08/56/88/1013085688.db2.gz BZHLNZSDMPHTKE-HSZRJFAPSA-N 1 0 404.470 3.814 20 5 HHBDRO CCC(CC)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[NH2+][C@H](C)c1ccccc1 ZINC000303455748 971758372 /nfs/dbraw/zinc/75/83/72/971758372.db2.gz JVLVIHKEDABNFP-CQSZACIVSA-N 1 0 402.470 3.956 20 5 HHBDRO C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000303530650 971831402 /nfs/dbraw/zinc/83/14/02/971831402.db2.gz WOKWFKGGVKJZND-IBGZPJMESA-N 1 0 413.521 3.791 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000303549781 971847756 /nfs/dbraw/zinc/84/77/56/971847756.db2.gz HCAWGIBNFMPFCH-HZPDHXFCSA-N 1 0 408.930 3.773 20 5 HHBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1C ZINC000303610424 971897362 /nfs/dbraw/zinc/89/73/62/971897362.db2.gz BLTFAFXXOQEIIB-KRWDZBQOSA-N 1 0 417.531 3.716 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000303627426 971909100 /nfs/dbraw/zinc/90/91/00/971909100.db2.gz QDRWENCNVAHYIY-ROUUACIJSA-N 1 0 418.538 3.518 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303627423 971909210 /nfs/dbraw/zinc/90/92/10/971909210.db2.gz QDRWENCNVAHYIY-MSOLQXFVSA-N 1 0 418.538 3.518 20 5 HHBDRO C[C@H]1C[C@@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303723154 971977330 /nfs/dbraw/zinc/97/73/30/971977330.db2.gz BMHKWDYPMWFOHX-ICSRJNTNSA-N 1 0 410.518 3.908 20 5 HHBDRO C[C@@H]1C[C@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000303777952 972022093 /nfs/dbraw/zinc/02/20/93/972022093.db2.gz RYBMNPJKQZQVAU-NVXWUHKLSA-N 1 0 407.474 3.596 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccccc1 ZINC000542211836 1013158734 /nfs/dbraw/zinc/15/87/34/1013158734.db2.gz SGTVEVCQUODPSA-KUHUBIRLSA-N 1 0 403.866 3.944 20 5 HHBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008121972 961439642 /nfs/dbraw/zinc/43/96/42/961439642.db2.gz DUDNRIZSSKFVMV-UHFFFAOYSA-N 1 0 417.469 3.564 20 5 HHBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000010281828 961784534 /nfs/dbraw/zinc/78/45/34/961784534.db2.gz URRDXOPEIFSXBS-UHFFFAOYSA-N 1 0 412.446 3.727 20 5 HHBDRO CC(C)n1c(Sc2ccc([N+](=O)[O-])c(OC(F)F)c2)nnc1[C@H]1CCC[NH2+]C1 ZINC000537833856 1013397219 /nfs/dbraw/zinc/39/72/19/1013397219.db2.gz JHITVEHZMFFLLH-NSHDSACASA-N 1 0 413.450 3.987 20 5 HHBDRO CN1CC[NH+](CC2(C)CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000553494091 1013397622 /nfs/dbraw/zinc/39/76/22/1013397622.db2.gz BENQIWOPIUCKMK-UHFFFAOYSA-N 1 0 401.338 3.756 20 5 HHBDRO CC(C)n1c(Sc2ccc([N+](=O)[O-])c(OC(F)F)c2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000537833853 1013397645 /nfs/dbraw/zinc/39/76/45/1013397645.db2.gz JHITVEHZMFFLLH-LLVKDONJSA-N 1 0 413.450 3.987 20 5 HHBDRO COc1ccc([C@@H](C[NH+]2CCCC2)Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1 ZINC000542508760 1013453447 /nfs/dbraw/zinc/45/34/47/1013453447.db2.gz QKLZVEQIWBSCNM-HXUWFJFHSA-N 1 0 410.474 3.737 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)c(C)c2)CC1 ZINC000025185791 964203168 /nfs/dbraw/zinc/20/31/68/964203168.db2.gz CQIILZPEJJVFEM-UHFFFAOYSA-N 1 0 414.531 3.776 20 5 HHBDRO COc1ccccc1[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000049790201 964213819 /nfs/dbraw/zinc/21/38/19/964213819.db2.gz RQHMACSNVFGLPN-HXUWFJFHSA-N 1 0 412.490 3.582 20 5 HHBDRO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000025302241 964234160 /nfs/dbraw/zinc/23/41/60/964234160.db2.gz GQGQOPNMSBYWEQ-KNQAVFIVSA-N 1 0 400.475 3.960 20 5 HHBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000537896166 1013479715 /nfs/dbraw/zinc/47/97/15/1013479715.db2.gz GNCTVCWTXGDXJZ-UHFFFAOYSA-N 1 0 408.380 3.655 20 5 HHBDRO CN1CC[NH+](CC2(C)CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)CC1 ZINC000542551768 1013494923 /nfs/dbraw/zinc/49/49/23/1013494923.db2.gz BDWSBMGDMRVTMR-UHFFFAOYSA-N 1 0 409.534 3.511 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000026340962 964530384 /nfs/dbraw/zinc/53/03/84/964530384.db2.gz HFROLICCVGQSHE-KRWDZBQOSA-N 1 0 410.474 3.583 20 5 HHBDRO CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)cc1[N+](=O)[O-] ZINC000026909323 964720132 /nfs/dbraw/zinc/72/01/32/964720132.db2.gz QXDUFNZHQGHQBP-UHFFFAOYSA-N 1 0 412.490 3.696 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000537946392 1013529554 /nfs/dbraw/zinc/52/95/54/1013529554.db2.gz CWOUTJMEWXWSPO-YVEFUNNKSA-N 1 0 411.380 3.654 20 5 HHBDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1[N+](=O)[O-] ZINC000052829910 964996652 /nfs/dbraw/zinc/99/66/52/964996652.db2.gz AROPYQSZEYTQCJ-CQSZACIVSA-N 1 0 404.854 3.503 20 5 HHBDRO CC(C)NC(=O)c1ccc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000553680853 1013542180 /nfs/dbraw/zinc/54/21/80/1013542180.db2.gz UHHJQPNIKAORSC-XMMPIXPASA-N 1 0 422.529 3.835 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000053076449 965056598 /nfs/dbraw/zinc/05/65/98/965056598.db2.gz SFMOSAFOLVNJCG-QGZVFWFLSA-N 1 0 401.438 3.778 20 5 HHBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000053134034 965068875 /nfs/dbraw/zinc/06/88/75/965068875.db2.gz IIPKGPHEMPQXBG-INIZCTEOSA-N 1 0 411.506 3.766 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000537972929 1013549354 /nfs/dbraw/zinc/54/93/54/1013549354.db2.gz JGBQHRMENRPXQS-MRXNPFEDSA-N 1 0 405.520 3.785 20 5 HHBDRO CNC(=O)c1ccc(NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000053574742 965220464 /nfs/dbraw/zinc/22/04/64/965220464.db2.gz OGAAKYNCRDEEOQ-FQEVSTJZSA-N 1 0 412.490 3.602 20 5 HHBDRO CC[C@@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000537984548 1013559562 /nfs/dbraw/zinc/55/95/62/1013559562.db2.gz ZMEJXXDCNLAUNJ-QGZVFWFLSA-N 1 0 406.280 3.828 20 5 HHBDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537986440 1013561308 /nfs/dbraw/zinc/56/13/08/1013561308.db2.gz HVWCXVLWNFWMOW-FQEVSTJZSA-N 1 0 403.504 3.620 20 5 HHBDRO O=C1COc2ccccc2N1CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000537987188 1013561464 /nfs/dbraw/zinc/56/14/64/1013561464.db2.gz NTMQOCBCRGOHOG-HKUYNNGSSA-N 1 0 409.486 3.711 20 5 HHBDRO Cc1ccc(-c2noc(CCC[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1 ZINC000029585834 965422471 /nfs/dbraw/zinc/42/24/71/965422471.db2.gz IFZQQZQOMHIWCU-UHFFFAOYSA-N 1 0 407.474 3.708 20 5 HHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058399788 965720862 /nfs/dbraw/zinc/72/08/62/965720862.db2.gz DYGVEDOOSSUPEA-UHFFFAOYSA-N 1 0 410.518 3.876 20 5 HHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000055086026 965750308 /nfs/dbraw/zinc/75/03/08/965750308.db2.gz DXIASUFQNVJLRG-LJQANCHMSA-N 1 0 400.479 3.945 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000059286463 966009650 /nfs/dbraw/zinc/00/96/50/966009650.db2.gz VNCYGOVZGRBFJP-QZTJIDSGSA-N 1 0 411.502 3.768 20 5 HHBDRO O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000060278668 966084054 /nfs/dbraw/zinc/08/40/54/966084054.db2.gz AZLYWIFAYVTTQV-UHFFFAOYSA-N 1 0 421.906 3.815 20 5 HHBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000542712243 1013625349 /nfs/dbraw/zinc/62/53/49/1013625349.db2.gz HJWZMLNONRHFEJ-UHFFFAOYSA-N 1 0 417.441 3.528 20 5 HHBDRO O=[N+]([O-])c1cnccc1NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000060375305 966119663 /nfs/dbraw/zinc/11/96/63/966119663.db2.gz TUWMGZJPLDMDFY-UHFFFAOYSA-N 1 0 403.486 3.924 20 5 HHBDRO O=C(c1ccc(Cl)cc1)C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000060482645 966165656 /nfs/dbraw/zinc/16/56/56/966165656.db2.gz LZUNCLJPXLRXKB-LJQANCHMSA-N 1 0 418.877 3.583 20 5 HHBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032050330 966183139 /nfs/dbraw/zinc/18/31/39/966183139.db2.gz RJJLTUPQJJTMCA-UHFFFAOYSA-N 1 0 419.485 3.696 20 5 HHBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[NH+](CC2CCCCC2)CC1 ZINC000060579213 966213584 /nfs/dbraw/zinc/21/35/84/966213584.db2.gz LOMCWJMZXOLBEI-UHFFFAOYSA-N 1 0 417.553 3.879 20 5 HHBDRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056159850 966239825 /nfs/dbraw/zinc/23/98/25/966239825.db2.gz ABGAGAGXDRDIFF-ZIAGYGMSSA-N 1 0 411.462 3.557 20 5 HHBDRO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196041 966254974 /nfs/dbraw/zinc/25/49/74/966254974.db2.gz VXXOEKPKMCNIOE-ILXRZTDVSA-N 1 0 401.463 3.529 20 5 HHBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000032461935 966261956 /nfs/dbraw/zinc/26/19/56/966261956.db2.gz YKWHTKMMWRABKZ-UHFFFAOYSA-N 1 0 408.502 3.721 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000061015389 966350658 /nfs/dbraw/zinc/35/06/58/966350658.db2.gz KLUGVXSKSWIOOQ-INIZCTEOSA-N 1 0 405.520 3.785 20 5 HHBDRO C[N@H+](CCCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000061470536 966474207 /nfs/dbraw/zinc/47/42/07/966474207.db2.gz TZFQKZOFMAEDBT-UHFFFAOYSA-N 1 0 417.428 3.920 20 5 HHBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000041617785 966605522 /nfs/dbraw/zinc/60/55/22/966605522.db2.gz BTLMXRAYODSHSU-UHFFFAOYSA-N 1 0 402.882 3.638 20 5 HHBDRO C[NH+]1CCN(C[C@H](Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CC1 ZINC000542774227 1013676115 /nfs/dbraw/zinc/67/61/15/1013676115.db2.gz UXNRKRFACKFWAM-IBGZPJMESA-N 1 0 419.323 3.758 20 5 HHBDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000542775336 1013676944 /nfs/dbraw/zinc/67/69/44/1013676944.db2.gz WEXRODSNNXPAMG-OAHLLOKOSA-N 1 0 410.257 3.805 20 5 HHBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cccc1[N+](=O)[O-] ZINC000063483013 966873290 /nfs/dbraw/zinc/87/32/90/966873290.db2.gz KMHXNMYHUNCZRR-MRXNPFEDSA-N 1 0 408.462 3.506 20 5 HHBDRO Cc1csc(Sc2ccc(C(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)cc2[N+](=O)[O-])n1 ZINC000063530796 966882976 /nfs/dbraw/zinc/88/29/76/966882976.db2.gz PXCLJYJOFHFFSC-AWEZNQCLSA-N 1 0 420.560 3.971 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000043149384 966918718 /nfs/dbraw/zinc/91/87/18/966918718.db2.gz IQRHZNIBHKFVTC-IAGOWNOFSA-N 1 0 412.490 3.834 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000064317038 967136700 /nfs/dbraw/zinc/13/67/00/967136700.db2.gz OUHHSSXGVSDOPI-LJQANCHMSA-N 1 0 423.391 3.997 20 5 HHBDRO C[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000064419820 967179740 /nfs/dbraw/zinc/17/97/40/967179740.db2.gz BHOAXIPQQHNIOQ-HUUCEWRRSA-N 1 0 417.893 3.579 20 5 HHBDRO C[NH+]1CCN(c2ccc(NC(=O)c3csc([N+](=O)[O-])c3)c(C(F)(F)F)c2)CC1 ZINC000044796910 967292308 /nfs/dbraw/zinc/29/23/08/967292308.db2.gz QEGVQRDHJXNNDA-UHFFFAOYSA-N 1 0 414.409 3.679 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000064806804 967296121 /nfs/dbraw/zinc/29/61/21/967296121.db2.gz IQLJIZWNHUYUKL-ZDUSSCGKSA-N 1 0 407.854 3.595 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000538153137 1013713644 /nfs/dbraw/zinc/71/36/44/1013713644.db2.gz MZJXAZFEHIXWPB-AWEZNQCLSA-N 1 0 417.462 3.689 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(F)c1 ZINC000065087032 967371299 /nfs/dbraw/zinc/37/12/99/967371299.db2.gz BEUWTABLEMPVNK-GOSISDBHSA-N 1 0 414.462 3.890 20 5 HHBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000065113806 967382968 /nfs/dbraw/zinc/38/29/68/967382968.db2.gz MNIGPFUYIYKDHF-UHFFFAOYSA-N 1 0 402.520 3.912 20 5 HHBDRO C[C@H](CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000542864940 1013719428 /nfs/dbraw/zinc/71/94/28/1013719428.db2.gz OTRNMMOEUVICSX-CQSZACIVSA-N 1 0 407.417 3.837 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000045304671 967413565 /nfs/dbraw/zinc/41/35/65/967413565.db2.gz JDGDBYVLQCNOIK-NRFANRHFSA-N 1 0 414.506 3.828 20 5 HHBDRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000045942338 967603100 /nfs/dbraw/zinc/60/31/00/967603100.db2.gz BMNIVOCUJKGZHJ-UHFFFAOYSA-N 1 0 402.476 3.723 20 5 HHBDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000046624167 967889080 /nfs/dbraw/zinc/88/90/80/967889080.db2.gz JPCIACYNBHYFKJ-HUUCEWRRSA-N 1 0 417.893 3.787 20 5 HHBDRO CCN1CC[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542923513 1013759398 /nfs/dbraw/zinc/75/93/98/1013759398.db2.gz LENBLUWPUNSWSH-OXJNMPFZSA-N 1 0 409.408 3.946 20 5 HHBDRO COc1cc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000046990006 968024777 /nfs/dbraw/zinc/02/47/77/968024777.db2.gz JROGAJGCYZDQSU-CYBMUJFWSA-N 1 0 415.437 3.589 20 5 HHBDRO C[N@H+](CCc1cccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1)C1CC1 ZINC000538233193 1013781698 /nfs/dbraw/zinc/78/16/98/1013781698.db2.gz KNNYARCXETXIQC-UHFFFAOYSA-N 1 0 405.458 3.670 20 5 HHBDRO C[N@H+](CCc1cccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1)C1CC1 ZINC000538229105 1013778500 /nfs/dbraw/zinc/77/85/00/1013778500.db2.gz HRVSOSQWFVRSDL-UHFFFAOYSA-N 1 0 406.442 3.738 20 5 HHBDRO COc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)cc1[N+](=O)[O-] ZINC000047891948 968353388 /nfs/dbraw/zinc/35/33/88/968353388.db2.gz BWFLMPJCOGZYOK-UHFFFAOYSA-N 1 0 415.465 3.579 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1 ZINC000048095608 968421406 /nfs/dbraw/zinc/42/14/06/968421406.db2.gz VHEREIPSZANULU-OAHLLOKOSA-N 1 0 412.368 3.760 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000538269205 1013810029 /nfs/dbraw/zinc/81/00/29/1013810029.db2.gz VPOMLQOEZVRNBT-HUUCEWRRSA-N 1 0 423.473 3.775 20 5 HHBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000065897345 968704525 /nfs/dbraw/zinc/70/45/25/968704525.db2.gz FUZFGGKXICJQJF-UHFFFAOYSA-N 1 0 406.486 3.578 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000065937916 968727060 /nfs/dbraw/zinc/72/70/60/968727060.db2.gz FOUGOKJKFPQHEF-UHFFFAOYSA-N 1 0 402.401 3.558 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000065938242 968728625 /nfs/dbraw/zinc/72/86/25/968728625.db2.gz BHHQANXQVKKDFB-UHFFFAOYSA-N 1 0 409.458 3.556 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000065940402 968731892 /nfs/dbraw/zinc/73/18/92/968731892.db2.gz MLULVMNJISDGKX-UHFFFAOYSA-N 1 0 414.481 3.538 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000068711832 968785111 /nfs/dbraw/zinc/78/51/11/968785111.db2.gz XGCWKNALKHHIDA-CQSZACIVSA-N 1 0 406.533 3.725 20 5 HHBDRO CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)[NH+](C)C)cc1 ZINC000069233109 968822299 /nfs/dbraw/zinc/82/22/99/968822299.db2.gz IZIIXDXJQDRKQC-QFIPXVFZSA-N 1 0 410.518 3.790 20 5 HHBDRO CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)[NH+](C)C)cc1 ZINC000069233107 968822677 /nfs/dbraw/zinc/82/26/77/968822677.db2.gz IZIIXDXJQDRKQC-JOCHJYFZSA-N 1 0 410.518 3.790 20 5 HHBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000071892201 968882564 /nfs/dbraw/zinc/88/25/64/968882564.db2.gz QWPQHRWUIPFMLJ-IBGZPJMESA-N 1 0 403.866 3.580 20 5 HHBDRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000071892045 968882940 /nfs/dbraw/zinc/88/29/40/968882940.db2.gz UZYKDEJBVKLQEB-SFHVURJKSA-N 1 0 413.865 3.691 20 5 HHBDRO Cc1nn(C)c(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000071953412 968906550 /nfs/dbraw/zinc/90/65/50/968906550.db2.gz QFVAPEBBQGQUGU-UHFFFAOYSA-N 1 0 420.517 3.571 20 5 HHBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000072062855 968966918 /nfs/dbraw/zinc/96/69/18/968966918.db2.gz HRCBSSCODBYCQR-ZDUSSCGKSA-N 1 0 420.872 3.630 20 5 HHBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000072062856 968967111 /nfs/dbraw/zinc/96/71/11/968967111.db2.gz HRCBSSCODBYCQR-CYBMUJFWSA-N 1 0 420.872 3.630 20 5 HHBDRO Cc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)c([N+](=O)[O-])c1 ZINC000097543203 969152875 /nfs/dbraw/zinc/15/28/75/969152875.db2.gz UMPNZJSMEPYOIE-UHFFFAOYSA-N 1 0 417.531 3.614 20 5 HHBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000108611057 969400128 /nfs/dbraw/zinc/40/01/28/969400128.db2.gz ABSXTCSXAFQCAF-UHFFFAOYSA-N 1 0 410.518 3.965 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000109505019 969525874 /nfs/dbraw/zinc/52/58/74/969525874.db2.gz WVYIFHDAALMOLF-JOCHJYFZSA-N 1 0 419.485 3.656 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000109577155 969536918 /nfs/dbraw/zinc/53/69/18/969536918.db2.gz IJWOGVIQEZTMRF-HNNXBMFYSA-N 1 0 414.531 3.873 20 5 HHBDRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1OC ZINC000554292623 1013897064 /nfs/dbraw/zinc/89/70/64/1013897064.db2.gz CUZDJCHWQJOEHR-OAHLLOKOSA-N 1 0 401.463 3.908 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000140135860 970064458 /nfs/dbraw/zinc/06/44/58/970064458.db2.gz IWSGNHVQYZMKES-QGZVFWFLSA-N 1 0 416.547 3.877 20 5 HHBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000217068014 970083147 /nfs/dbraw/zinc/08/31/47/970083147.db2.gz RWUCKWMOSQCFKW-INIZCTEOSA-N 1 0 421.501 3.855 20 5 HHBDRO CC(C)C[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCOCC1 ZINC000236638896 970150062 /nfs/dbraw/zinc/15/00/62/970150062.db2.gz XQVIYIAQISVSGF-LJQANCHMSA-N 1 0 404.536 3.555 20 5 HHBDRO CCCCNC(=O)c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000236801910 970174816 /nfs/dbraw/zinc/17/48/16/970174816.db2.gz NJYHVMKHQWKQBT-UHFFFAOYSA-N 1 0 421.501 3.815 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000236838784 970178218 /nfs/dbraw/zinc/17/82/18/970178218.db2.gz XKNWBCFBGIXSRZ-UHFFFAOYSA-N 1 0 404.511 3.590 20 5 HHBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000236890467 970185070 /nfs/dbraw/zinc/18/50/70/970185070.db2.gz IHXJUHMJLFGRHD-DLBZAZTESA-N 1 0 418.412 3.982 20 5 HHBDRO CCc1cc(N2CCC[C@H]([NH2+]Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)ncn1 ZINC000237092166 970221554 /nfs/dbraw/zinc/22/15/54/970221554.db2.gz PESSBBDYBGSNFU-KRWDZBQOSA-N 1 0 424.530 3.829 20 5 HHBDRO COc1cc(CNC2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237113316 970224766 /nfs/dbraw/zinc/22/47/66/970224766.db2.gz XPJKIDXYOMEFCI-UHFFFAOYSA-N 1 0 419.444 3.755 20 5 HHBDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237185807 970237540 /nfs/dbraw/zinc/23/75/40/970237540.db2.gz QLIOZVBVPZYGJP-YLJYHZDGSA-N 1 0 400.475 3.823 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCC[C@]2(C)CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237195586 970239667 /nfs/dbraw/zinc/23/96/67/970239667.db2.gz OLLLNPYOCHMXCU-FGZHOGPDSA-N 1 0 400.475 3.823 20 5 HHBDRO C[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000145376410 970258936 /nfs/dbraw/zinc/25/89/36/970258936.db2.gz LFRNUXAHZICMKI-OAHLLOKOSA-N 1 0 402.520 3.929 20 5 HHBDRO COc1ccc(CNC(=O)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000237312866 970260702 /nfs/dbraw/zinc/26/07/02/970260702.db2.gz IBMNZCNGKCEHLI-UHFFFAOYSA-N 1 0 411.483 3.738 20 5 HHBDRO C[C@H](CO[C@H]1CCOC1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237400395 970277571 /nfs/dbraw/zinc/27/75/71/970277571.db2.gz XIOSABDSJFVACU-VGSWGCGISA-N 1 0 422.485 3.731 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3CCN(CC(F)(F)F)C3)o2)c([N+](=O)[O-])c1 ZINC000237430531 970284432 /nfs/dbraw/zinc/28/44/32/970284432.db2.gz XEAWWYKPJVOXTH-CYBMUJFWSA-N 1 0 413.396 3.837 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCNc3nccc(C(F)(F)F)n3)cs2)c1 ZINC000237705614 970343777 /nfs/dbraw/zinc/34/37/77/970343777.db2.gz WHZNIALOCFXLRC-UHFFFAOYSA-N 1 0 424.408 3.729 20 5 HHBDRO Cn1cc(C[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237751566 970354307 /nfs/dbraw/zinc/35/43/07/970354307.db2.gz IRWFYMQQFNNYMO-UHFFFAOYSA-N 1 0 423.492 3.889 20 5 HHBDRO Cc1nc2ccccc2n1CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237764123 970359473 /nfs/dbraw/zinc/35/94/73/970359473.db2.gz UUQNPYICIGNROU-UHFFFAOYSA-N 1 0 404.474 3.833 20 5 HHBDRO Cn1cc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237767490 970361469 /nfs/dbraw/zinc/36/14/69/970361469.db2.gz UENYNNRSXRTXBE-FQEVSTJZSA-N 1 0 409.490 3.905 20 5 HHBDRO O=C(c1ccco1)N1CCC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000237916036 970394347 /nfs/dbraw/zinc/39/43/47/970394347.db2.gz CXYSCVCMFMSYHC-UHFFFAOYSA-N 1 0 412.471 3.706 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H](c3ccccc3)N3CCOCC3)cs2)c1 ZINC000238007200 970417847 /nfs/dbraw/zinc/41/78/47/970417847.db2.gz OXWBSGHIUMUECN-OAQYLSRUSA-N 1 0 424.526 3.881 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCc3n[nH]cc3C2)cc1 ZINC000238012215 970418844 /nfs/dbraw/zinc/41/88/44/970418844.db2.gz NNPVKNXIGJYRKF-IBGZPJMESA-N 1 0 414.469 3.818 20 5 HHBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(OC)c(OC)c1 ZINC000164385523 970447419 /nfs/dbraw/zinc/44/74/19/970447419.db2.gz UALUGVWHPMMFGW-UHFFFAOYSA-N 1 0 401.463 3.771 20 5 HHBDRO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000261395980 970649831 /nfs/dbraw/zinc/64/98/31/970649831.db2.gz JERUSFIWOFOFKZ-HNAYVOBHSA-N 1 0 413.474 3.848 20 5 HHBDRO CN1CC[NH+](CC2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000301100904 970747850 /nfs/dbraw/zinc/74/78/50/970747850.db2.gz OUBDBEPAQAKJND-UHFFFAOYSA-N 1 0 420.863 3.731 20 5 HHBDRO Cc1ccc(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000409678401 973140620 /nfs/dbraw/zinc/14/06/20/973140620.db2.gz LUELHEFOSVXFJM-UHFFFAOYSA-N 1 0 411.506 3.627 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)cc1[N+](=O)[O-] ZINC000425981097 974091407 /nfs/dbraw/zinc/09/14/07/974091407.db2.gz POMYDTVKYFSWDS-UHFFFAOYSA-N 1 0 416.396 3.892 20 5 HHBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000426274706 974362886 /nfs/dbraw/zinc/36/28/86/974362886.db2.gz AZLXNDSPKPVMSP-MRXNPFEDSA-N 1 0 414.428 3.774 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C)nc(N2CCCC2)n1 ZINC000426320734 974395164 /nfs/dbraw/zinc/39/51/64/974395164.db2.gz YZGGNKQEXXLOBU-MRXNPFEDSA-N 1 0 401.536 3.954 20 5 HHBDRO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000426385291 974425702 /nfs/dbraw/zinc/42/57/02/974425702.db2.gz MOVQGIRPMFZNCV-IBGZPJMESA-N 1 0 409.486 3.874 20 5 HHBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000426803059 974672206 /nfs/dbraw/zinc/67/22/06/974672206.db2.gz ZZZHWBRTIUZPPH-LJQANCHMSA-N 1 0 411.502 3.978 20 5 HHBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000427162864 974949668 /nfs/dbraw/zinc/94/96/68/974949668.db2.gz NVEUACGQFZCNPZ-GOSISDBHSA-N 1 0 403.523 3.609 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000427297944 975034658 /nfs/dbraw/zinc/03/46/58/975034658.db2.gz YABKMGLROYSUJQ-IYBDPMFKSA-N 1 0 421.563 3.668 20 5 HHBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000427493722 975146140 /nfs/dbraw/zinc/14/61/40/975146140.db2.gz YBKFOGRKMXMHAF-UHFFFAOYSA-N 1 0 405.458 3.937 20 5 HHBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)CC1 ZINC000427580665 975197675 /nfs/dbraw/zinc/19/76/75/975197675.db2.gz PZSMMLATQNXXAZ-UHFFFAOYSA-N 1 0 422.529 3.930 20 5 HHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000427878139 975331025 /nfs/dbraw/zinc/33/10/25/975331025.db2.gz VCYKHNGVABKNHJ-GFCCVEGCSA-N 1 0 401.854 3.642 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH+]2CCC(Cn3cncn3)CC2)cc1[N+](=O)[O-] ZINC000428487851 975787439 /nfs/dbraw/zinc/78/74/39/975787439.db2.gz WWJJUSFFAOUNMP-UHFFFAOYSA-N 1 0 406.490 3.866 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000428541007 975844079 /nfs/dbraw/zinc/84/40/79/975844079.db2.gz DMAVJXTUXUDWNV-HQQUCIOCSA-N 1 0 405.292 3.811 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](CO)CC(F)F)cc1 ZINC000428656321 975955777 /nfs/dbraw/zinc/95/57/77/975955777.db2.gz PKVACWLTBDXXCE-INIZCTEOSA-N 1 0 402.401 3.553 20 5 HHBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CSCC[N@@H+]3Cc3ccccc3)cc2N1 ZINC000428659758 975958588 /nfs/dbraw/zinc/95/85/88/975958588.db2.gz JFOYITYESIUKAD-KRWDZBQOSA-N 1 0 412.515 3.509 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429211809 976506555 /nfs/dbraw/zinc/50/65/55/976506555.db2.gz MMFWETZABJPQJZ-UHFFFAOYSA-N 1 0 418.881 3.860 20 5 HHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429212474 976506781 /nfs/dbraw/zinc/50/67/81/976506781.db2.gz PXSXPSOTFMOJSX-UHFFFAOYSA-N 1 0 416.865 3.821 20 5 HHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000429214761 976508523 /nfs/dbraw/zinc/50/85/23/976508523.db2.gz HYRUXYBEJTUYLW-SFHVURJKSA-N 1 0 413.478 3.517 20 5 HHBDRO Cc1ccc(NC(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000429217833 976512037 /nfs/dbraw/zinc/51/20/37/976512037.db2.gz UDLHZXIYXSNOAT-CALCHBBNSA-N 1 0 404.511 3.646 20 5 HHBDRO CC(C)([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] ZINC000429246011 976535422 /nfs/dbraw/zinc/53/54/22/976535422.db2.gz MIKFZGNIHKBDEM-AWEZNQCLSA-N 1 0 409.280 3.622 20 5 HHBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(OCC)c(OCC)cc2[N+](=O)[O-])C1 ZINC000429250236 976539311 /nfs/dbraw/zinc/53/93/11/976539311.db2.gz FWTXFMJYIXAZKE-HNNXBMFYSA-N 1 0 408.499 3.588 20 5 HHBDRO CC(C)([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000429253617 976542092 /nfs/dbraw/zinc/54/20/92/976542092.db2.gz BUKPBRKNIZDGQA-UHFFFAOYSA-N 1 0 410.474 3.575 20 5 HHBDRO CCc1cc(NC2CC[NH+](Cc3cccnc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429321045 976589379 /nfs/dbraw/zinc/58/93/79/976589379.db2.gz WUZWFADNTDAEFZ-UHFFFAOYSA-N 1 0 418.501 3.508 20 5 HHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000429536943 976798920 /nfs/dbraw/zinc/79/89/20/976798920.db2.gz LOKMRZYNSLKYSP-KNQAVFIVSA-N 1 0 410.518 3.999 20 5 HHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C12CCCCC2 ZINC000429787022 977067601 /nfs/dbraw/zinc/06/76/01/977067601.db2.gz MKHMDWBKBWTJEF-GDIGMMSISA-N 1 0 405.495 3.648 20 5 HHBDRO COc1ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430129819 977336265 /nfs/dbraw/zinc/33/62/65/977336265.db2.gz IYCPDKYNQDBULE-HSZRJFAPSA-N 1 0 411.502 3.710 20 5 HHBDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430228444 977404539 /nfs/dbraw/zinc/40/45/39/977404539.db2.gz UZMYSZYXAQRDRM-OAHLLOKOSA-N 1 0 417.428 3.616 20 5 HHBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H]([NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000430386136 977516132 /nfs/dbraw/zinc/51/61/32/977516132.db2.gz PMOIAPPTUITSIS-LMMKCTJWSA-N 1 0 402.539 3.633 20 5 HHBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430612694 977655085 /nfs/dbraw/zinc/65/50/85/977655085.db2.gz TVHDUTDSAAQJKP-UHFFFAOYSA-N 1 0 410.312 3.884 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000430662394 977674480 /nfs/dbraw/zinc/67/44/80/977674480.db2.gz IBLAFWUOQRABFE-FXAWDEMLSA-N 1 0 406.486 3.719 20 5 HHBDRO Cc1cc(OCC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000430784849 977755795 /nfs/dbraw/zinc/75/57/95/977755795.db2.gz RVFCAAJHALOZJW-CYGODWOOSA-N 1 0 411.502 3.555 20 5 HHBDRO COc1ccc(OCC[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430826621 977781462 /nfs/dbraw/zinc/78/14/62/977781462.db2.gz IHEWXUKBUDGDEF-QUCCMNQESA-N 1 0 413.518 3.967 20 5 HHBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000430994585 977940204 /nfs/dbraw/zinc/94/02/04/977940204.db2.gz WZVNSVZOPIZAKD-UHFFFAOYSA-N 1 0 422.957 3.517 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431023337 977961187 /nfs/dbraw/zinc/96/11/87/977961187.db2.gz LBZWSFBXSPZFNX-NFAWXSAZSA-N 1 0 410.312 3.835 20 5 HHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431023336 977961335 /nfs/dbraw/zinc/96/13/35/977961335.db2.gz LBZWSFBXSPZFNX-GUTXKFCHSA-N 1 0 410.312 3.835 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000431033800 977967988 /nfs/dbraw/zinc/96/79/88/977967988.db2.gz KSUTWMBVKRZOSA-HNNXBMFYSA-N 1 0 410.268 3.763 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000431037748 977969905 /nfs/dbraw/zinc/96/99/05/977969905.db2.gz PRPLMVQHGPIVBB-KRWDZBQOSA-N 1 0 406.280 3.698 20 5 HHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431472431 978319595 /nfs/dbraw/zinc/31/95/95/978319595.db2.gz PZKAHJJMAJBSGK-SUMWQHHRSA-N 1 0 418.291 3.923 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431786508 978512996 /nfs/dbraw/zinc/51/29/96/978512996.db2.gz DGYDOEDRRYAPPP-UHFFFAOYSA-N 1 0 424.270 3.700 20 5 HHBDRO CC(C)(NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431955238 978617547 /nfs/dbraw/zinc/61/75/47/978617547.db2.gz PPOUOJXKOWFMRB-LJQANCHMSA-N 1 0 410.518 3.694 20 5 HHBDRO Cc1cc(OCC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000432188708 978706345 /nfs/dbraw/zinc/70/63/45/978706345.db2.gz XOHZIQOHJKXTAY-NZQKXSOJSA-N 1 0 423.513 3.795 20 5 HHBDRO Cc1cc(OCC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000432188747 978706358 /nfs/dbraw/zinc/70/63/58/978706358.db2.gz XWVYPUIHHRURHY-GOSISDBHSA-N 1 0 403.523 3.785 20 5 HHBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000432649141 978925474 /nfs/dbraw/zinc/92/54/74/978925474.db2.gz MGWUVOWSZQQTAO-MRXNPFEDSA-N 1 0 416.275 3.982 20 5 HHBDRO COc1ccc(NC(=O)CC[NH+]2CCC(c3ncc(C)s3)CC2)c([N+](=O)[O-])c1 ZINC000433139032 979093925 /nfs/dbraw/zinc/09/39/25/979093925.db2.gz VGJNTMOKKWLUNT-UHFFFAOYSA-N 1 0 404.492 3.577 20 5 HHBDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433250989 979183104 /nfs/dbraw/zinc/18/31/04/979183104.db2.gz ZWLXCBRXJREDRG-DYESRHJHSA-N 1 0 409.534 3.513 20 5 HHBDRO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434150659 979910581 /nfs/dbraw/zinc/91/05/81/979910581.db2.gz BWHDPVBMUPJKCL-UHFFFAOYSA-N 1 0 412.490 3.534 20 5 HHBDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])ccc21 ZINC000434188683 979954144 /nfs/dbraw/zinc/95/41/44/979954144.db2.gz JRPRCUQIXUFCFG-UHFFFAOYSA-N 1 0 412.494 3.990 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000434420645 980160874 /nfs/dbraw/zinc/16/08/74/980160874.db2.gz HLMWHSNCIOMTJX-LPHOPBHVSA-N 1 0 423.517 3.910 20 5 HHBDRO Cc1c(NC(=O)NCC2CC[NH+](C3CC3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435330148 980788831 /nfs/dbraw/zinc/78/88/31/980788831.db2.gz RUOWZVAGLYUVNQ-UHFFFAOYSA-N 1 0 411.300 3.662 20 5 HHBDRO Cc1c(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435330611 980789344 /nfs/dbraw/zinc/78/93/44/980789344.db2.gz USSPKHDBKFEDIU-CQSZACIVSA-N 1 0 411.300 3.758 20 5 HHBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435371320 980820624 /nfs/dbraw/zinc/82/06/24/980820624.db2.gz UMOZTUIFRGURGT-OAQYLSRUSA-N 1 0 419.485 3.810 20 5 HHBDRO CC(C)(CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[NH+]1CCCCC1 ZINC000435812789 981041341 /nfs/dbraw/zinc/04/13/41/981041341.db2.gz AAFVPFHWHFEJBD-UHFFFAOYSA-N 1 0 413.468 3.954 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 ZINC000435815249 981042781 /nfs/dbraw/zinc/04/27/81/981042781.db2.gz BIINYWQKDIBMCF-FQEVSTJZSA-N 1 0 403.457 3.853 20 5 HHBDRO C[NH+](C)C1(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCCCC1 ZINC000435820116 981044997 /nfs/dbraw/zinc/04/49/97/981044997.db2.gz ZRVOPOLTOJALRN-UHFFFAOYSA-N 1 0 413.468 3.954 20 5 HHBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000435828549 981049433 /nfs/dbraw/zinc/04/94/33/981049433.db2.gz UWTUTMFDUOVEMT-UHFFFAOYSA-N 1 0 421.447 3.951 20 5 HHBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435837892 981054149 /nfs/dbraw/zinc/05/41/49/981054149.db2.gz VBNIDASPFDXJFI-UHFFFAOYSA-N 1 0 413.468 3.955 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436002590 981145640 /nfs/dbraw/zinc/14/56/40/981145640.db2.gz FMRYJSPERWKFBI-HZPDHXFCSA-N 1 0 409.505 3.918 20 5 HHBDRO C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[N@@H+]1CCCC[C@@H]1C ZINC000436096175 981197910 /nfs/dbraw/zinc/19/79/10/981197910.db2.gz FAQLULQELJFVDB-KBPBESRZSA-N 1 0 413.468 3.952 20 5 HHBDRO C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[N@@H+]1CCC[C@H](C)C1 ZINC000436103157 981201587 /nfs/dbraw/zinc/20/15/87/981201587.db2.gz UAVWWJZQHGLZNI-KBPBESRZSA-N 1 0 413.468 3.810 20 5 HHBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436107108 981203864 /nfs/dbraw/zinc/20/38/64/981203864.db2.gz URHHXJOJSDZKLW-UHFFFAOYSA-N 1 0 421.566 3.773 20 5 HHBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436134156 981214133 /nfs/dbraw/zinc/21/41/33/981214133.db2.gz PHKQADULJOMKBP-KGLIPLIRSA-N 1 0 413.468 3.810 20 5 HHBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436134155 981214174 /nfs/dbraw/zinc/21/41/74/981214174.db2.gz PHKQADULJOMKBP-KBPBESRZSA-N 1 0 413.468 3.810 20 5 HHBDRO COc1ccc(CSCC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000436231954 981261211 /nfs/dbraw/zinc/26/12/11/981261211.db2.gz MEPOIGXWSLUXHH-SFHVURJKSA-N 1 0 421.563 3.750 20 5 HHBDRO CCC[NH+]1CCC(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000436251054 981269577 /nfs/dbraw/zinc/26/95/77/981269577.db2.gz HTAXJJLMNGIRJB-UHFFFAOYSA-N 1 0 413.468 3.811 20 5 HHBDRO C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[NH+]1CCC(C)CC1 ZINC000436313196 981293301 /nfs/dbraw/zinc/29/33/01/981293301.db2.gz CAEYBQJIFYWXGP-AWEZNQCLSA-N 1 0 413.468 3.810 20 5 HHBDRO CC(C)n1c(Sc2cc(C(F)(F)F)ncc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000436390462 981343354 /nfs/dbraw/zinc/34/33/54/981343354.db2.gz OUBPSJSBFCSBAV-UHFFFAOYSA-N 1 0 416.429 3.799 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)cc1 ZINC000436402144 981349870 /nfs/dbraw/zinc/34/98/70/981349870.db2.gz UJABARQMFFFKDQ-UHFFFAOYSA-N 1 0 422.812 3.831 20 5 HHBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448218792 981633746 /nfs/dbraw/zinc/63/37/46/981633746.db2.gz WAHGKIQTGURALT-WIYYLYMNSA-N 1 0 400.523 3.576 20 5 HHBDRO CC1(C)C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000436985098 981667389 /nfs/dbraw/zinc/66/73/89/981667389.db2.gz CBFWTSWFAAZSTL-FQEVSTJZSA-N 1 0 409.486 3.917 20 5 HHBDRO C[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000437472899 982101648 /nfs/dbraw/zinc/10/16/48/982101648.db2.gz KPCZWWKOIWWBJL-IBGZPJMESA-N 1 0 410.518 3.910 20 5 HHBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000460361082 982136105 /nfs/dbraw/zinc/13/61/05/982136105.db2.gz SKFTWSDHEZADBN-IRXDYDNUSA-N 1 0 421.501 3.891 20 5 HHBDRO Cc1cc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n(C2CC[NH+](C)CC2)n1 ZINC000437778165 982350824 /nfs/dbraw/zinc/35/08/24/982350824.db2.gz UIAJETCRQWLXNM-UHFFFAOYSA-N 1 0 412.494 3.563 20 5 HHBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000437850233 982407716 /nfs/dbraw/zinc/40/77/16/982407716.db2.gz QHITVBOKQUTURJ-IBGZPJMESA-N 1 0 400.523 3.722 20 5 HHBDRO C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000460653057 982424842 /nfs/dbraw/zinc/42/48/42/982424842.db2.gz FMVZCCULHNNHNQ-YSIASYRMSA-N 1 0 408.502 3.819 20 5 HHBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000437938931 982473717 /nfs/dbraw/zinc/47/37/17/982473717.db2.gz IFVCYPWWTNGEPL-SYYKKAFVSA-N 1 0 424.501 3.662 20 5 HHBDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)C[C@@H]1C ZINC000460739100 982497503 /nfs/dbraw/zinc/49/75/03/982497503.db2.gz WRBXUFWXGPBKED-FUHWJXTLSA-N 1 0 400.527 3.818 20 5 HHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000438539936 982877883 /nfs/dbraw/zinc/87/78/83/982877883.db2.gz YYFDBZHWTKEDCY-CYBMUJFWSA-N 1 0 411.911 3.667 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000438554287 982894739 /nfs/dbraw/zinc/89/47/39/982894739.db2.gz RXXRJAPFPMLYOP-UHFFFAOYSA-N 1 0 402.539 3.674 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CC3([NH+](C)C)CCC3)cc2[N+](=O)[O-])C1 ZINC000438561212 982902666 /nfs/dbraw/zinc/90/26/66/982902666.db2.gz JNKKNJGDURBPEN-CALCHBBNSA-N 1 0 402.539 3.633 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461420534 983083872 /nfs/dbraw/zinc/08/38/72/983083872.db2.gz BCWLAHWVFCTKDA-QZTJIDSGSA-N 1 0 411.527 3.911 20 5 HHBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439039 983102488 /nfs/dbraw/zinc/10/24/88/983102488.db2.gz OAGXMSBBKMMQFX-RTBURBONSA-N 1 0 404.470 3.670 20 5 HHBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461440559 983104665 /nfs/dbraw/zinc/10/46/65/983104665.db2.gz YDILQDSEDMOSMU-QZTJIDSGSA-N 1 0 404.470 3.670 20 5 HHBDRO CSc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000461444292 983109250 /nfs/dbraw/zinc/10/92/50/983109250.db2.gz KQRHMRQRXUIRBD-RTBURBONSA-N 1 0 411.527 3.911 20 5 HHBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461456059 983121881 /nfs/dbraw/zinc/12/18/81/983121881.db2.gz LJKFLPLLTKWLPY-MOPGFXCFSA-N 1 0 416.481 3.737 20 5 HHBDRO Cc1c(CC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cccc1[N+](=O)[O-] ZINC000438919197 983153237 /nfs/dbraw/zinc/15/32/37/983153237.db2.gz IVKUFSKEQXKGTR-XMMPIXPASA-N 1 0 407.514 3.960 20 5 HHBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000439013902 983210239 /nfs/dbraw/zinc/21/02/39/983210239.db2.gz YTSIZZXJGSAGKA-AXUOBQJMSA-N 1 0 400.479 3.796 20 5 HHBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000439014664 983210991 /nfs/dbraw/zinc/21/09/91/983210991.db2.gz ITNVLQZZHAQONU-AXUOBQJMSA-N 1 0 400.479 3.796 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000439016098 983211956 /nfs/dbraw/zinc/21/19/56/983211956.db2.gz BLNMOMOHXQTFFJ-OBUJGBQQSA-N 1 0 403.523 3.883 20 5 HHBDRO CC(C)c1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)cc1[N+](=O)[O-] ZINC000439117018 983257818 /nfs/dbraw/zinc/25/78/18/983257818.db2.gz KWVBUHFYTBDMAD-GOSISDBHSA-N 1 0 424.501 3.668 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000439126892 983263166 /nfs/dbraw/zinc/26/31/66/983263166.db2.gz GEZSIVGTZWUXTL-YWZLYKJASA-N 1 0 407.474 3.663 20 5 HHBDRO NC(=O)c1cccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000439128665 983264204 /nfs/dbraw/zinc/26/42/04/983264204.db2.gz OOOMWXOTKAMSJJ-UHFFFAOYSA-N 1 0 416.481 3.605 20 5 HHBDRO CC[C@@](C)(O)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000439275558 983341882 /nfs/dbraw/zinc/34/18/82/983341882.db2.gz LLUGIEBZDHEHQJ-HXUWFJFHSA-N 1 0 405.882 3.850 20 5 HHBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000439766798 983530268 /nfs/dbraw/zinc/53/02/68/983530268.db2.gz IDBDKANYQLUZKM-CQSZACIVSA-N 1 0 402.882 3.528 20 5 HHBDRO COc1ccc(NC(=O)C2([NH2+]CCc3ccc([N+](=O)[O-])cc3)CCCC2)cc1OC ZINC000440899918 983960434 /nfs/dbraw/zinc/96/04/34/983960434.db2.gz IRFLPVJIBMFHRS-UHFFFAOYSA-N 1 0 413.474 3.696 20 5 HHBDRO O=C(N[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1)c1cc2ccccc2o1 ZINC000440917337 983972911 /nfs/dbraw/zinc/97/29/11/983972911.db2.gz VXJJFADIRGRMKR-KRWDZBQOSA-N 1 0 409.442 3.614 20 5 HHBDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441467407 984267080 /nfs/dbraw/zinc/26/70/80/984267080.db2.gz ASFZXFCKEPCWLF-QAPCUYQASA-N 1 0 415.519 3.586 20 5 HHBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3CCC(C[NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000441924338 984543481 /nfs/dbraw/zinc/54/34/81/984543481.db2.gz LTKAJRUPSFOMFY-LBVWLFBPSA-N 1 0 416.566 3.927 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462182235 985161813 /nfs/dbraw/zinc/16/18/13/985161813.db2.gz SWWMLNADFINOFC-DYVFJYSZSA-N 1 0 418.291 3.608 20 5 HHBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000462311769 985298418 /nfs/dbraw/zinc/29/84/18/985298418.db2.gz GGJQWDUJLQOVGB-DNVCBOLYSA-N 1 0 423.560 3.580 20 5 HHBDRO Cc1c(NC(=O)CC[NH+]2CCN([C@H](C)c3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000462462595 985422449 /nfs/dbraw/zinc/42/24/49/985422449.db2.gz IAZXZJQCYNMPRJ-MRXNPFEDSA-N 1 0 402.520 3.672 20 5 HHBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Br)s1 ZINC000443338690 985504589 /nfs/dbraw/zinc/50/45/89/985504589.db2.gz XUQNCEHUIBPAGO-SNVBAGLBSA-N 1 0 410.293 3.659 20 5 HHBDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000468038443 985694644 /nfs/dbraw/zinc/69/46/44/985694644.db2.gz NPLHSGTZODZANY-GFCCVEGCSA-N 1 0 407.854 3.772 20 5 HHBDRO CCC[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000462846706 985770538 /nfs/dbraw/zinc/77/05/38/985770538.db2.gz VVVAZYMBGVZXHN-FQEVSTJZSA-N 1 0 403.504 3.766 20 5 HHBDRO COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000462874195 985798319 /nfs/dbraw/zinc/79/83/19/985798319.db2.gz MIJOXVUYHSPKGI-GDBMZVCRSA-N 1 0 411.458 3.507 20 5 HHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000443753294 985967615 /nfs/dbraw/zinc/96/76/15/985967615.db2.gz WDABDWHIIRNICP-UHFFFAOYSA-N 1 0 415.943 3.525 20 5 HHBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000443775843 985982922 /nfs/dbraw/zinc/98/29/22/985982922.db2.gz CQOHCNNMNWQFAK-UHFFFAOYSA-N 1 0 417.531 3.590 20 5 HHBDRO CN(CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000463103787 986064127 /nfs/dbraw/zinc/06/41/27/986064127.db2.gz XPPXBUFJVSLOBI-HXUWFJFHSA-N 1 0 416.909 3.638 20 5 HHBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000444008426 986204068 /nfs/dbraw/zinc/20/40/68/986204068.db2.gz IKWWTDMULNNLPN-MRXNPFEDSA-N 1 0 407.489 3.911 20 5 HHBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444023098 986215474 /nfs/dbraw/zinc/21/54/74/986215474.db2.gz NBVVIPVYLMJANY-OAHLLOKOSA-N 1 0 413.468 3.954 20 5 HHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000468619944 986335973 /nfs/dbraw/zinc/33/59/73/986335973.db2.gz IERQQSICCSJXDQ-STTHAQSSSA-N 1 0 403.504 3.599 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000468641067 986356567 /nfs/dbraw/zinc/35/65/67/986356567.db2.gz CLAANNGWDKPKPD-VBKFSLOCSA-N 1 0 417.531 3.865 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000468641982 986356852 /nfs/dbraw/zinc/35/68/52/986356852.db2.gz HQQXIQLVVVSRTR-ATVHPVEESA-N 1 0 408.502 3.808 20 5 HHBDRO CC1CC[NH+]([C@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000463453243 986433860 /nfs/dbraw/zinc/43/38/60/986433860.db2.gz FZFPSVKKVYWYCH-LJQANCHMSA-N 1 0 416.547 3.682 20 5 HHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000468749652 986463250 /nfs/dbraw/zinc/46/32/50/986463250.db2.gz OKECDLVNJORQQK-MJLBXUHQSA-N 1 0 408.502 3.808 20 5 HHBDRO C[C@@H](CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[NH+]1CCCCC1 ZINC000444298524 986484191 /nfs/dbraw/zinc/48/41/91/986484191.db2.gz XSLDQUGWKJCDDF-AWEZNQCLSA-N 1 0 413.468 3.954 20 5 HHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000444550023 986741156 /nfs/dbraw/zinc/74/11/56/986741156.db2.gz QFVVAWTWSBHCLR-UHFFFAOYSA-N 1 0 415.515 3.773 20 5 HHBDRO C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444644826 986829297 /nfs/dbraw/zinc/82/92/97/986829297.db2.gz YHCXLPMYFHAAST-LRDDRELGSA-N 1 0 418.519 3.981 20 5 HHBDRO COc1cc(CN2CC[C@@H]([NH2+]C/C(C)=C/c3cccc([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000469125424 986845159 /nfs/dbraw/zinc/84/51/59/986845159.db2.gz WSBPOZZSOPGVEX-HIOHBZOZSA-N 1 0 411.502 3.879 20 5 HHBDRO Cc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1NC(=O)CC[NH+](C)C ZINC000469331405 987040083 /nfs/dbraw/zinc/04/00/83/987040083.db2.gz KFVCQSVJXXAAQS-UHFFFAOYSA-N 1 0 409.446 3.527 20 5 HHBDRO C[C@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000445179360 987262244 /nfs/dbraw/zinc/26/22/44/987262244.db2.gz FOQSGOBNVDTXBJ-LLVKDONJSA-N 1 0 412.309 3.669 20 5 HHBDRO Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000445208274 987277546 /nfs/dbraw/zinc/27/75/46/987277546.db2.gz KHBGRDXBGDUIDT-UHFFFAOYSA-N 1 0 410.478 3.624 20 5 HHBDRO COc1c(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000469824659 987461486 /nfs/dbraw/zinc/46/14/86/987461486.db2.gz JWCQOHQADRTSFS-UHFFFAOYSA-N 1 0 403.866 3.651 20 5 HHBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445639757 987713925 /nfs/dbraw/zinc/71/39/25/987713925.db2.gz MRALUBYIJFAUCZ-UHFFFAOYSA-N 1 0 408.502 3.849 20 5 HHBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000445838493 987909591 /nfs/dbraw/zinc/90/95/91/987909591.db2.gz XUBZGRXOYDYMQV-QGZVFWFLSA-N 1 0 412.328 3.527 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000470084785 987985394 /nfs/dbraw/zinc/98/53/94/987985394.db2.gz ZUUCQVCHUAEHML-SFHVURJKSA-N 1 0 424.423 3.758 20 5 HHBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000464357463 988510591 /nfs/dbraw/zinc/51/05/91/988510591.db2.gz SZGIFUZZXOQHLV-INIZCTEOSA-N 1 0 400.504 3.713 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000470610410 988628537 /nfs/dbraw/zinc/62/85/37/988628537.db2.gz FMZPMVZTRSKSBZ-OEWRPIJISA-N 1 0 410.518 3.593 20 5 HHBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000464547876 988724527 /nfs/dbraw/zinc/72/45/27/988724527.db2.gz JTJZPHJRNNQBQX-ZWKOTPCHSA-N 1 0 402.539 3.635 20 5 HHBDRO CC(C)CN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000464564854 988742205 /nfs/dbraw/zinc/74/22/05/988742205.db2.gz GRDLNIFDASFBBE-UHFFFAOYSA-N 1 0 417.428 3.728 20 5 HHBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC1CCN(c2ccccn2)CC1 ZINC000464809088 989042344 /nfs/dbraw/zinc/04/23/44/989042344.db2.gz YJFNWPPELDWKDX-UHFFFAOYSA-N 1 0 414.506 3.616 20 5 HHBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000471276215 989427758 /nfs/dbraw/zinc/42/77/58/989427758.db2.gz GFWOVGSUKFDYHK-KRWDZBQOSA-N 1 0 422.510 3.970 20 5 HHBDRO O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471394820 989572528 /nfs/dbraw/zinc/57/25/28/989572528.db2.gz SVNCTOLCRISMNN-IYBDPMFKSA-N 1 0 419.403 3.818 20 5 HHBDRO C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000471540771 989739867 /nfs/dbraw/zinc/73/98/67/989739867.db2.gz VASHYWCAWJKHMI-BVZFJXPGSA-N 1 0 413.521 3.962 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccsc1 ZINC000465520437 989872435 /nfs/dbraw/zinc/87/24/35/989872435.db2.gz HLFGEAXUTSIWMS-IBGZPJMESA-N 1 0 418.519 3.512 20 5 HHBDRO C[C@H]1C[C@@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000466147806 991330192 /nfs/dbraw/zinc/33/01/92/991330192.db2.gz RDXGVXHZDAFWHD-RXVVDRJESA-N 1 0 410.518 3.832 20 5 HHBDRO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000466408905 991702821 /nfs/dbraw/zinc/70/28/21/991702821.db2.gz URDSUGWZJJVXJY-KRWDZBQOSA-N 1 0 419.485 3.548 20 5 HHBDRO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)CCC1CCOCC1 ZINC000466462141 991753174 /nfs/dbraw/zinc/75/31/74/991753174.db2.gz CUHYSIVCYHREKH-AWEZNQCLSA-N 1 0 418.519 3.794 20 5 HHBDRO COc1ccc(CN2CCCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2=O)cc1 ZINC000466464435 991754945 /nfs/dbraw/zinc/75/49/45/991754945.db2.gz JQOWEDBJWTYYGP-UHFFFAOYSA-N 1 0 420.469 3.699 20 5 HHBDRO CC[NH+](CC)CCOC1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000467013166 992320846 /nfs/dbraw/zinc/32/08/46/992320846.db2.gz IMIRQKYUHDSLIR-UHFFFAOYSA-N 1 0 400.317 3.685 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1SC ZINC000467047989 992357332 /nfs/dbraw/zinc/35/73/32/992357332.db2.gz SXCCIDMDBRCCAF-HOCLYGCPSA-N 1 0 415.515 3.718 20 5 HHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)CCC2 ZINC000467403689 992711469 /nfs/dbraw/zinc/71/14/69/992711469.db2.gz IMPIHLYQOORORJ-SFHVURJKSA-N 1 0 423.922 3.584 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000467413156 992716628 /nfs/dbraw/zinc/71/66/28/992716628.db2.gz VUGZPXLOMKTGJT-CQSZACIVSA-N 1 0 411.911 3.576 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000467561834 992842514 /nfs/dbraw/zinc/84/25/14/992842514.db2.gz GUJAKSQYKVSJAB-INIZCTEOSA-N 1 0 408.911 3.946 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000472302645 993315471 /nfs/dbraw/zinc/31/54/71/993315471.db2.gz WJICOXALYHFYMO-HXUWFJFHSA-N 1 0 408.502 3.791 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472472039 993474158 /nfs/dbraw/zinc/47/41/58/993474158.db2.gz BYCIRZHVMFHESF-NRFANRHFSA-N 1 0 410.518 3.828 20 5 HHBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000480732861 993598404 /nfs/dbraw/zinc/59/84/04/993598404.db2.gz SMVSXUPZRYJPOH-HKUYNNGSSA-N 1 0 417.531 3.543 20 5 HHBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000480742699 993609585 /nfs/dbraw/zinc/60/95/85/993609585.db2.gz XDPXCRQOQZPZIC-HKUYNNGSSA-N 1 0 415.515 3.517 20 5 HHBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000480758051 993624099 /nfs/dbraw/zinc/62/40/99/993624099.db2.gz SACVHTFXPRQUCH-HKUYNNGSSA-N 1 0 415.515 3.517 20 5 HHBDRO CC[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000480904318 993760758 /nfs/dbraw/zinc/76/07/58/993760758.db2.gz FWTMYQQOBTUKTP-QGZVFWFLSA-N 1 0 406.280 3.828 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000480916372 993771557 /nfs/dbraw/zinc/77/15/57/993771557.db2.gz ZFWAHRYVYQSJMG-ZDUSSCGKSA-N 1 0 406.280 3.746 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481387459 994217947 /nfs/dbraw/zinc/21/79/47/994217947.db2.gz BVBCCFVQLGQUNE-ZUOKHONESA-N 1 0 421.881 3.951 20 5 HHBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000481387824 994218638 /nfs/dbraw/zinc/21/86/38/994218638.db2.gz CMOMNSXMWJUGMC-HXPMCKFVSA-N 1 0 407.854 3.561 20 5 HHBDRO O=C(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(Br)cc1 ZINC000481399463 994231778 /nfs/dbraw/zinc/23/17/78/994231778.db2.gz GXGHZRPRBUPROW-KRWDZBQOSA-N 1 0 418.291 3.907 20 5 HHBDRO COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000481401273 994233871 /nfs/dbraw/zinc/23/38/71/994233871.db2.gz IXDKOCVYQWZPQU-MSOLQXFVSA-N 1 0 401.463 3.894 20 5 HHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000481406336 994239616 /nfs/dbraw/zinc/23/96/16/994239616.db2.gz PISUOYQQDZZEGH-CYBMUJFWSA-N 1 0 406.280 3.907 20 5 HHBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC1CC[NH+](C2CCCCC2)CC1 ZINC000473519737 994373929 /nfs/dbraw/zinc/37/39/29/994373929.db2.gz CBXQBIMKJREZHW-UHFFFAOYSA-N 1 0 409.914 3.930 20 5 HHBDRO C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)c2)CCO1 ZINC000481562661 994397540 /nfs/dbraw/zinc/39/75/40/994397540.db2.gz CNEMUYQVYHOCML-JPYJTQIMSA-N 1 0 409.530 3.926 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000481571089 994407520 /nfs/dbraw/zinc/40/75/20/994407520.db2.gz LKPHQZJGFYDHJD-INIZCTEOSA-N 1 0 405.520 3.783 20 5 HHBDRO COc1cc(C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)ccc1[N+](=O)[O-] ZINC000481635312 994501058 /nfs/dbraw/zinc/50/10/58/994501058.db2.gz ALXINGZJUFZWFV-UHFFFAOYSA-N 1 0 412.490 3.695 20 5 HHBDRO COc1cc(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000473628047 994508630 /nfs/dbraw/zinc/50/86/30/994508630.db2.gz UMJAWIVEBMWZNB-UHFFFAOYSA-N 1 0 415.490 3.597 20 5 HHBDRO COc1cc(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000481759533 994612425 /nfs/dbraw/zinc/61/24/25/994612425.db2.gz GWXLBZGTCLBGDX-GDBMZVCRSA-N 1 0 402.438 3.931 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1 ZINC000481819338 994669759 /nfs/dbraw/zinc/66/97/59/994669759.db2.gz ADLLWNQWLCTSEK-HOTGVXAUSA-N 1 0 406.866 3.775 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481841205 994695673 /nfs/dbraw/zinc/69/56/73/994695673.db2.gz AYUGUJTYLWPGQQ-RXVVDRJESA-N 1 0 409.486 3.730 20 5 HHBDRO Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000473780091 994702670 /nfs/dbraw/zinc/70/26/70/994702670.db2.gz HYWLWFDLLKCRKI-LEWJYISDSA-N 1 0 417.554 3.704 20 5 HHBDRO CC[NH+]1CCN(c2cccc(NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)c2)CC1 ZINC000473817589 994744947 /nfs/dbraw/zinc/74/49/47/994744947.db2.gz LEQVFMIJDYVPJT-UHFFFAOYSA-N 1 0 417.897 3.712 20 5 HHBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000481885152 994750523 /nfs/dbraw/zinc/75/05/23/994750523.db2.gz QRKUWGZZPPEJMB-CRAIPNDOSA-N 1 0 421.906 3.553 20 5 HHBDRO CC(C)[NH+]1CCC(NC(=O)COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000481957191 994840849 /nfs/dbraw/zinc/84/08/49/994840849.db2.gz KWOQIGCYPUKHKU-UHFFFAOYSA-N 1 0 411.502 3.553 20 5 HHBDRO COc1cccc([C@@H]2[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000482007038 994912132 /nfs/dbraw/zinc/91/21/32/994912132.db2.gz GHCFCUBVUSKEKM-WOJBJXKFSA-N 1 0 415.877 3.965 20 5 HHBDRO COc1cccc([C@H]2[C@@H](NC(=O)CCc3cccc([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000482068645 995002498 /nfs/dbraw/zinc/00/24/98/995002498.db2.gz AFZQLAYTCGFIKW-GMAHTHKFSA-N 1 0 409.486 3.630 20 5 HHBDRO Cc1ccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000482176896 995140256 /nfs/dbraw/zinc/14/02/56/995140256.db2.gz IPOGUMZBMGFCCY-UHFFFAOYSA-N 1 0 411.502 3.704 20 5 HHBDRO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474237377 995235131 /nfs/dbraw/zinc/23/51/31/995235131.db2.gz YLVAZEYQKVTYFC-NRFANRHFSA-N 1 0 406.486 3.999 20 5 HHBDRO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482280478 995259913 /nfs/dbraw/zinc/25/99/13/995259913.db2.gz BPGFCKZWWRPSAW-LEWJYISDSA-N 1 0 408.502 3.791 20 5 HHBDRO COC(=O)COc1ccc(C[NH2+]C(C)(C)Cc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000474346683 995325784 /nfs/dbraw/zinc/32/57/84/995325784.db2.gz DIGGXEFZZCKRQK-UHFFFAOYSA-N 1 0 406.866 3.911 20 5 HHBDRO Cc1cc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000482445653 995442983 /nfs/dbraw/zinc/44/29/83/995442983.db2.gz IGRQHQQHLQKRFM-UHFFFAOYSA-N 1 0 411.502 3.704 20 5 HHBDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482495124 995505470 /nfs/dbraw/zinc/50/54/70/995505470.db2.gz HRVJTABNKIOTNY-GJZGRUSLSA-N 1 0 404.488 3.866 20 5 HHBDRO O=[N+]([O-])c1ccc(CNc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000482549147 995556939 /nfs/dbraw/zinc/55/69/39/995556939.db2.gz KAYYDYMCKIMBKQ-UHFFFAOYSA-N 1 0 417.513 3.967 20 5 HHBDRO O=[N+]([O-])c1cc(Br)cnc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000474781286 995707898 /nfs/dbraw/zinc/70/78/98/995707898.db2.gz XJBJZVZXEKDZFC-UHFFFAOYSA-N 1 0 421.295 3.839 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cc1SC ZINC000482821276 995771914 /nfs/dbraw/zinc/77/19/14/995771914.db2.gz WPCUGJBJYWKTFM-UHFFFAOYSA-N 1 0 405.476 3.518 20 5 HHBDRO CC(C)(CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C[NH+]1CCCC1 ZINC000482944075 995871050 /nfs/dbraw/zinc/87/10/50/995871050.db2.gz FEBOHGZMCDUEMS-UHFFFAOYSA-N 1 0 413.468 3.811 20 5 HHBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000475122543 995936462 /nfs/dbraw/zinc/93/64/62/995936462.db2.gz VWYQSBQFULELAB-KXBFYZLASA-N 1 0 414.458 3.738 20 5 HHBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000483058917 995947090 /nfs/dbraw/zinc/94/70/90/995947090.db2.gz LBBCHDGLXVGPDI-SFHVURJKSA-N 1 0 412.490 3.533 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000483217582 996043466 /nfs/dbraw/zinc/04/34/66/996043466.db2.gz ZOLOCSIRNIJZJY-UHFFFAOYSA-N 1 0 409.552 3.670 20 5 HHBDRO Cc1nc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000475311720 996061937 /nfs/dbraw/zinc/06/19/37/996061937.db2.gz VVHOTDRZWISYHF-GOSISDBHSA-N 1 0 408.380 3.691 20 5 HHBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C[C@H]1[NH+]1CCCC1 ZINC000483407219 996158226 /nfs/dbraw/zinc/15/82/26/996158226.db2.gz RQQZYPSYGWJAOC-AEFFLSMTSA-N 1 0 409.577 3.747 20 5 HHBDRO COc1c(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cccc1[N+](=O)[O-] ZINC000475469869 996161879 /nfs/dbraw/zinc/16/18/79/996161879.db2.gz XRBKFNGLCRVNDC-UHFFFAOYSA-N 1 0 401.488 3.713 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCN2CC=CCC2)cc1 ZINC000475504699 996186257 /nfs/dbraw/zinc/18/62/57/996186257.db2.gz ZKVDEXAYYJOJKO-UHFFFAOYSA-N 1 0 403.486 3.799 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000475559902 996219031 /nfs/dbraw/zinc/21/90/31/996219031.db2.gz LOMAEIALUYJUEU-HDICACEKSA-N 1 0 418.538 3.955 20 5 HHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000475559904 996219166 /nfs/dbraw/zinc/21/91/66/996219166.db2.gz LOMAEIALUYJUEU-QZTJIDSGSA-N 1 0 418.538 3.955 20 5 HHBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc2[N+](=O)[O-])C1 ZINC000483555398 996247883 /nfs/dbraw/zinc/24/78/83/996247883.db2.gz CKPSUOHSVFFKIS-PIKOESSRSA-N 1 0 414.550 3.633 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000483591526 996272071 /nfs/dbraw/zinc/27/20/71/996272071.db2.gz JRBBFDKGXLQZJS-YRISNDGFSA-N 1 0 423.517 3.719 20 5 HHBDRO CC(C)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000475711003 996315478 /nfs/dbraw/zinc/31/54/78/996315478.db2.gz AGNZBGRIZVRWRF-HNNXBMFYSA-N 1 0 414.380 3.758 20 5 HHBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000483709184 996341648 /nfs/dbraw/zinc/34/16/48/996341648.db2.gz IQSFECOUAJYKPP-ISTRZQFTSA-N 1 0 404.492 3.593 20 5 HHBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000483709189 996341740 /nfs/dbraw/zinc/34/17/40/996341740.db2.gz IQSFECOUAJYKPP-YLQAJVPDSA-N 1 0 404.492 3.593 20 5 HHBDRO C[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000483834121 996416528 /nfs/dbraw/zinc/41/65/28/996416528.db2.gz ZLQHAGTUMXZYSK-INIZCTEOSA-N 1 0 406.552 3.707 20 5 HHBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[NH+](C2CCCCC2)CC1 ZINC000483853871 996428398 /nfs/dbraw/zinc/42/83/98/996428398.db2.gz VKSQJQSWNSFLIC-UHFFFAOYSA-N 1 0 403.526 3.632 20 5 HHBDRO COc1c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cccc1[N+](=O)[O-] ZINC000476233591 996694421 /nfs/dbraw/zinc/69/44/21/996694421.db2.gz DRASPNBBFMLTCY-QHCPKHFHSA-N 1 0 409.486 3.732 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484345253 996717220 /nfs/dbraw/zinc/71/72/20/996717220.db2.gz WJTBFPIGMLZUPB-HNNXBMFYSA-N 1 0 403.401 3.842 20 5 HHBDRO COc1c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000476367043 996798358 /nfs/dbraw/zinc/79/83/58/996798358.db2.gz XEHSWOVUBBMXEL-QUCCMNQESA-N 1 0 409.486 3.730 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000484533030 996865013 /nfs/dbraw/zinc/86/50/13/996865013.db2.gz LCPQIJCVTAYPRV-IBGZPJMESA-N 1 0 423.579 3.820 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000484533031 996865220 /nfs/dbraw/zinc/86/52/20/996865220.db2.gz LCPQIJCVTAYPRV-LJQANCHMSA-N 1 0 423.579 3.820 20 5 HHBDRO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000484651481 996987771 /nfs/dbraw/zinc/98/77/71/996987771.db2.gz MEFKZFHWMKSLDK-NHCUHLMSSA-N 1 0 418.515 3.657 20 5 HHBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000484696134 997034721 /nfs/dbraw/zinc/03/47/21/997034721.db2.gz PXOBNBQZCCCOOI-UHFFFAOYSA-N 1 0 407.474 3.551 20 5 HHBDRO CCc1ccc([C@H](CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000484946526 997324214 /nfs/dbraw/zinc/32/42/14/997324214.db2.gz QJIIPGWPGIUIGK-SFHVURJKSA-N 1 0 417.531 3.920 20 5 HHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000485034932 997399109 /nfs/dbraw/zinc/39/91/09/997399109.db2.gz PITBMSNOONWOFQ-UHFFFAOYSA-N 1 0 407.417 3.968 20 5 HHBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485080652 997451241 /nfs/dbraw/zinc/45/12/41/997451241.db2.gz UDDCBOADTRSEHB-KRWDZBQOSA-N 1 0 405.401 3.763 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000476905037 997510075 /nfs/dbraw/zinc/51/00/75/997510075.db2.gz SXEXZAWXFAWVBM-UHFFFAOYSA-N 1 0 410.518 3.965 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485165622 997548473 /nfs/dbraw/zinc/54/84/73/997548473.db2.gz GVTJCWMZDQGMHJ-QFBILLFUSA-N 1 0 408.502 3.810 20 5 HHBDRO CN1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)CC1 ZINC000485399296 997829352 /nfs/dbraw/zinc/82/93/52/997829352.db2.gz BKTLXQOGHGRZAJ-UHFFFAOYSA-N 1 0 413.497 3.766 20 5 HHBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000485482400 997934970 /nfs/dbraw/zinc/93/49/70/997934970.db2.gz QVCAFPYFUFDXII-UHFFFAOYSA-N 1 0 411.449 3.924 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000485602375 998049721 /nfs/dbraw/zinc/04/97/21/998049721.db2.gz ULDYWRMWFUAPJC-CABCVRRESA-N 1 0 411.449 3.923 20 5 HHBDRO O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000485666042 998119982 /nfs/dbraw/zinc/11/99/82/998119982.db2.gz DOOYRRYNSNQJQM-OAHLLOKOSA-N 1 0 423.395 3.524 20 5 HHBDRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000485719730 998189342 /nfs/dbraw/zinc/18/93/42/998189342.db2.gz PGUGGULTCXKTTH-ZGRWHYIRSA-N 1 0 415.515 3.841 20 5 HHBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000477894689 998638596 /nfs/dbraw/zinc/63/85/96/998638596.db2.gz JKCJGMPJXSIYFH-UHFFFAOYSA-N 1 0 408.502 3.954 20 5 HHBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478037920 998727937 /nfs/dbraw/zinc/72/79/37/998727937.db2.gz BMKJHNLXCPZVBB-MSOLQXFVSA-N 1 0 402.539 3.898 20 5 HHBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1 ZINC000478058613 998741264 /nfs/dbraw/zinc/74/12/64/998741264.db2.gz ZSGCOKMBYMDVCJ-UHFFFAOYSA-N 1 0 401.463 3.885 20 5 HHBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000486393268 998744432 /nfs/dbraw/zinc/74/44/32/998744432.db2.gz JISSWWYXEAVAJR-WFASDCNBSA-N 1 0 421.856 3.994 20 5 HHBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000486393266 998744466 /nfs/dbraw/zinc/74/44/66/998744466.db2.gz JISSWWYXEAVAJR-IUODEOHRSA-N 1 0 421.856 3.994 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000486423655 998760236 /nfs/dbraw/zinc/76/02/36/998760236.db2.gz SHBGTGJZZWGVBC-LJQANCHMSA-N 1 0 417.531 3.674 20 5 HHBDRO COc1ccccc1[C@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[NH+]1CCCC1 ZINC000486440198 998769424 /nfs/dbraw/zinc/76/94/24/998769424.db2.gz URJLNXGGAMKGMR-SFHVURJKSA-N 1 0 409.446 3.902 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000486445644 998772343 /nfs/dbraw/zinc/77/23/43/998772343.db2.gz KSTLXKLGGXKNGA-SFHVURJKSA-N 1 0 420.897 3.828 20 5 HHBDRO Cc1ccc([C@@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000486445643 998772358 /nfs/dbraw/zinc/77/23/58/998772358.db2.gz KSTLXKLGGXKNGA-GOSISDBHSA-N 1 0 420.897 3.828 20 5 HHBDRO COC(=O)c1cnc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000478259284 998850207 /nfs/dbraw/zinc/85/02/07/998850207.db2.gz MOBNIHNIRUMCEE-KRWDZBQOSA-N 1 0 404.854 3.679 20 5 HHBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000486732320 998912820 /nfs/dbraw/zinc/91/28/20/998912820.db2.gz CACRRMXZSVEPFF-GOSISDBHSA-N 1 0 407.392 3.894 20 5 HHBDRO CSc1cccc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)c1[N+](=O)[O-] ZINC000486796020 998943674 /nfs/dbraw/zinc/94/36/74/998943674.db2.gz ADYWWXRRLVXHCQ-UHFFFAOYSA-N 1 0 401.488 3.526 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000486827345 998958562 /nfs/dbraw/zinc/95/85/62/998958562.db2.gz QVHYBSZLQCHUFF-WJONJSRFSA-N 1 0 420.473 3.858 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC[N@H+](CCCc4ccccc4)CC3)n2)cc1 ZINC000486941667 999013600 /nfs/dbraw/zinc/01/36/00/999013600.db2.gz QWSYGZPTASHZKX-UHFFFAOYSA-N 1 0 407.474 3.790 20 5 HHBDRO C[C@@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000478722413 999107678 /nfs/dbraw/zinc/10/76/78/999107678.db2.gz JZTIWEHITHELMN-KBPBESRZSA-N 1 0 416.444 3.795 20 5 HHBDRO C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487386649 999155863 /nfs/dbraw/zinc/15/58/63/999155863.db2.gz GYCAFOFQADOUQZ-XLIONFOSSA-N 1 0 406.486 3.576 20 5 HHBDRO O=C(NCCCC[NH+]1CCOCC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487475372 999190747 /nfs/dbraw/zinc/19/07/47/999190747.db2.gz OVVTTYRMVSWVCE-UHFFFAOYSA-N 1 0 415.515 3.588 20 5 HHBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487886075 999304757 /nfs/dbraw/zinc/30/47/57/999304757.db2.gz OITXFSCSYMRHPZ-GOSISDBHSA-N 1 0 411.506 3.509 20 5 HHBDRO C[NH+](C)[C@]1(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCSC1 ZINC000488146332 999392488 /nfs/dbraw/zinc/39/24/88/999392488.db2.gz VDMLHDMMLQEVTB-FQEVSTJZSA-N 1 0 417.556 3.913 20 5 HHBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000479442966 999419955 /nfs/dbraw/zinc/41/99/55/999419955.db2.gz FIDYSGQMGZDPOW-SFHVURJKSA-N 1 0 401.894 3.819 20 5 HHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)n1 ZINC000479481115 999436179 /nfs/dbraw/zinc/43/61/79/999436179.db2.gz QUBUELNYRXBHHH-BHUNQDJPSA-N 1 0 415.460 3.670 20 5 HHBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000479503735 999447837 /nfs/dbraw/zinc/44/78/37/999447837.db2.gz OYYUYQCOCVOMKR-YVEFUNNKSA-N 1 0 409.364 3.950 20 5 HHBDRO COc1cccc([C@@H]2[C@H](NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000488365258 999459064 /nfs/dbraw/zinc/45/90/64/999459064.db2.gz DRJRVLVSOBIZQB-IFMALSPDSA-N 1 0 424.501 3.723 20 5 HHBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000479533302 999464348 /nfs/dbraw/zinc/46/43/48/999464348.db2.gz OWVZVIJVMYJFDC-ZDUSSCGKSA-N 1 0 416.444 3.604 20 5 HHBDRO O=C(Nc1ccccc1)c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000488800706 999612158 /nfs/dbraw/zinc/61/21/58/999612158.db2.gz OLBVNBWPDMBBCK-UHFFFAOYSA-N 1 0 405.458 3.881 20 5 HHBDRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000479922513 999649984 /nfs/dbraw/zinc/64/99/84/999649984.db2.gz WNAXNVMZYGABJA-HNNXBMFYSA-N 1 0 400.454 3.841 20 5 HHBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc([N+](=O)[O-])c1C ZINC000479937357 999655335 /nfs/dbraw/zinc/65/53/35/999655335.db2.gz CIOOQKZACMJZQL-HNNXBMFYSA-N 1 0 403.504 3.615 20 5 HHBDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000489140522 999710410 /nfs/dbraw/zinc/71/04/10/999710410.db2.gz PXJWJZZTIYABAQ-ICSRJNTNSA-N 1 0 415.465 3.923 20 5 HHBDRO Cc1cc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489183122 999717710 /nfs/dbraw/zinc/71/77/10/999717710.db2.gz GQGOUXGANPTXNM-OAHLLOKOSA-N 1 0 409.515 3.702 20 5 HHBDRO COc1ccc(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000480295043 999764681 /nfs/dbraw/zinc/76/46/81/999764681.db2.gz OZUREGJBBZACDP-JOCHJYFZSA-N 1 0 410.474 3.733 20 5 HHBDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000480330480 999773020 /nfs/dbraw/zinc/77/30/20/999773020.db2.gz RAIDSEBXYFVUFR-QGZVFWFLSA-N 1 0 417.531 3.716 20 5 HHBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000489620129 999804113 /nfs/dbraw/zinc/80/41/13/999804113.db2.gz IQTHAKYOSULNKN-WBVHZDCISA-N 1 0 421.906 3.553 20 5 HHBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489733843 999827518 /nfs/dbraw/zinc/82/75/18/999827518.db2.gz AEGXWPHFQHAWJD-FQEVSTJZSA-N 1 0 408.502 3.933 20 5 HHBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000490015842 999878042 /nfs/dbraw/zinc/87/80/42/999878042.db2.gz WNQVXHHKBVWFMS-UHFFFAOYSA-N 1 0 413.522 3.891 20 5 HHBDRO COc1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490367613 999945710 /nfs/dbraw/zinc/94/57/10/999945710.db2.gz MHRXQJBAMPQHLX-INIZCTEOSA-N 1 0 413.465 3.698 20 5 HHBDRO COc1cc(C[NH2+]CCc2c(F)cccc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000491012630 1000033913 /nfs/dbraw/zinc/03/39/13/1000033913.db2.gz XYLOANXUTRUWMS-UHFFFAOYSA-N 1 0 402.344 3.858 20 5 HHBDRO COc1cc(CNCC(C)(C)[NH+]2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491040187 1000038228 /nfs/dbraw/zinc/03/82/28/1000038228.db2.gz SBNZKPVPVUDSJC-UHFFFAOYSA-N 1 0 401.454 3.601 20 5 HHBDRO COc1cc(CNC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491049133 1000039091 /nfs/dbraw/zinc/03/90/91/1000039091.db2.gz FIQYEIAZJBSFCS-KBPBESRZSA-N 1 0 401.454 3.600 20 5 HHBDRO COc1cc(CN2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491064766 1000041630 /nfs/dbraw/zinc/04/16/30/1000041630.db2.gz HVOJSUUDDNGJII-UHFFFAOYSA-N 1 0 413.465 3.555 20 5 HHBDRO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491344271 1000066763 /nfs/dbraw/zinc/06/67/63/1000066763.db2.gz YIZBCUGQJQCELZ-FQEVSTJZSA-N 1 0 422.485 3.529 20 5 HHBDRO CCOc1cc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000492724526 1000141323 /nfs/dbraw/zinc/14/13/23/1000141323.db2.gz TYMAEPXMGZAJFN-UHFFFAOYSA-N 1 0 417.531 3.626 20 5 HHBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000493815279 1000195419 /nfs/dbraw/zinc/19/54/19/1000195419.db2.gz ICXZEPSJDOTGKK-DNVCBOLYSA-N 1 0 423.560 3.635 20 5 HHBDRO COc1cc(C[NH2+]Cc2ccccc2-n2cccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494019453 1000271083 /nfs/dbraw/zinc/27/10/83/1000271083.db2.gz JAIJMNPZZJARLC-UHFFFAOYSA-N 1 0 418.400 3.723 20 5 HHBDRO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(F)c1 ZINC000494129830 1000322679 /nfs/dbraw/zinc/32/26/79/1000322679.db2.gz BEUWTABLEMPVNK-SFHVURJKSA-N 1 0 414.462 3.890 20 5 HHBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000504894632 1000433807 /nfs/dbraw/zinc/43/38/07/1000433807.db2.gz NFGRZDMNQZGHPJ-IOMROCGXSA-N 1 0 413.518 3.527 20 5 HHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000504899801 1000436096 /nfs/dbraw/zinc/43/60/96/1000436096.db2.gz MLFPVYURJKUGNL-DENIHFKCSA-N 1 0 415.559 3.692 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000504912282 1000443653 /nfs/dbraw/zinc/44/36/53/1000443653.db2.gz TWQPJSBPZMWQEE-XLIONFOSSA-N 1 0 411.502 3.878 20 5 HHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(NS(C)(=O)=O)cc1 ZINC000504929196 1000454188 /nfs/dbraw/zinc/45/41/88/1000454188.db2.gz HDYKZHJGYZTZNK-HNNXBMFYSA-N 1 0 409.533 3.627 20 5 HHBDRO CCOCCC[N@@H+]1CC[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000494484860 1000518044 /nfs/dbraw/zinc/51/80/44/1000518044.db2.gz KZGSZNPBQBWBME-KDOFPFPSSA-N 1 0 403.445 3.840 20 5 HHBDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000494500175 1000526046 /nfs/dbraw/zinc/52/60/46/1000526046.db2.gz CPXBNJQVWZSWMZ-UHFFFAOYSA-N 1 0 403.504 3.583 20 5 HHBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494500538 1000526545 /nfs/dbraw/zinc/52/65/45/1000526545.db2.gz AIHQKRFMMZSKLL-UZCIPKQKSA-N 1 0 407.829 3.834 20 5 HHBDRO O=C(C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494500684 1000527270 /nfs/dbraw/zinc/52/72/70/1000527270.db2.gz FMCJKCRAGLQLQL-FUHWJXTLSA-N 1 0 410.257 3.960 20 5 HHBDRO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)C[C@H]1CCCCO1 ZINC000494771199 1000645411 /nfs/dbraw/zinc/64/54/11/1000645411.db2.gz SEEBPUSQOUUAAS-XJKSGUPXSA-N 1 0 404.492 3.546 20 5 HHBDRO COc1ccc(C[N@@H+]2CCCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1 ZINC000505296003 1000679872 /nfs/dbraw/zinc/67/98/72/1000679872.db2.gz OWQQBYRJYBOHRA-UHFFFAOYSA-N 1 0 421.444 3.913 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000495149446 1000889751 /nfs/dbraw/zinc/88/97/51/1000889751.db2.gz GPSIYTGEOGEWAT-INIZCTEOSA-N 1 0 411.380 3.655 20 5 HHBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000505575235 1000915652 /nfs/dbraw/zinc/91/56/52/1000915652.db2.gz QIEFXRAHHNXSLQ-QRWLVFNGSA-N 1 0 417.531 3.755 20 5 HHBDRO C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000505637098 1000947852 /nfs/dbraw/zinc/94/78/52/1000947852.db2.gz QUCWQAKKCGSVCG-BIENJYKASA-N 1 0 405.882 3.823 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1SC ZINC000505639450 1000949349 /nfs/dbraw/zinc/94/93/49/1000949349.db2.gz YUHUDMMHDZBMRS-BFUOFWGJSA-N 1 0 403.504 3.747 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000505808779 1001036942 /nfs/dbraw/zinc/03/69/42/1001036942.db2.gz ZTGWWDGHZUFDGS-UHFFFAOYSA-N 1 0 410.474 3.970 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000505905615 1001091690 /nfs/dbraw/zinc/09/16/90/1001091690.db2.gz GIUVSDKSUFPMPO-RBUKOAKNSA-N 1 0 414.550 3.922 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000505919799 1001101233 /nfs/dbraw/zinc/10/12/33/1001101233.db2.gz VOCVIFWPKCUSKO-QZTJIDSGSA-N 1 0 411.506 3.507 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000506241331 1001301175 /nfs/dbraw/zinc/30/11/75/1001301175.db2.gz TUANCKVLEWEBQJ-LSDHHAIUSA-N 1 0 415.943 3.523 20 5 HHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000506376540 1001386391 /nfs/dbraw/zinc/38/63/91/1001386391.db2.gz FJNVVVUBYWGNAR-HOTGVXAUSA-N 1 0 412.490 3.575 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000506448588 1001417697 /nfs/dbraw/zinc/41/76/97/1001417697.db2.gz TVOCTCFJAIJGRY-OKZBNKHCSA-N 1 0 418.538 3.517 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000506471461 1001427506 /nfs/dbraw/zinc/42/75/06/1001427506.db2.gz QGPFZAGDUIWRIC-CVEARBPZSA-N 1 0 408.930 3.773 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506475026 1001429370 /nfs/dbraw/zinc/42/93/70/1001429370.db2.gz RNSUQGMJQYBFHE-NEWSRXKRSA-N 1 0 402.539 3.817 20 5 HHBDRO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000506613002 1001470982 /nfs/dbraw/zinc/47/09/82/1001470982.db2.gz PPNSJMDAAIKZHB-UHFFFAOYSA-N 1 0 423.560 3.617 20 5 HHBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497741371 1001500586 /nfs/dbraw/zinc/50/05/86/1001500586.db2.gz DUOQJLBSUJYWOK-UHFFFAOYSA-N 1 0 418.881 3.651 20 5 HHBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000497741032 1001500630 /nfs/dbraw/zinc/50/06/30/1001500630.db2.gz XDPXCRQOQZPZIC-MJGOQNOKSA-N 1 0 415.515 3.517 20 5 HHBDRO COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[NH+]2CCCC2)cc1 ZINC000497757254 1001505766 /nfs/dbraw/zinc/50/57/66/1001505766.db2.gz DNZJNLXUOISITN-OAQYLSRUSA-N 1 0 420.469 3.719 20 5 HHBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000497894024 1001553806 /nfs/dbraw/zinc/55/38/06/1001553806.db2.gz IUIFINFQCMXOFR-UHFFFAOYSA-N 1 0 404.470 3.580 20 5 HHBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000506896713 1001585406 /nfs/dbraw/zinc/58/54/06/1001585406.db2.gz UZGLCUGIPQBSAA-SJORKVTESA-N 1 0 411.506 3.767 20 5 HHBDRO C[C@H](Nc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000506911539 1001590542 /nfs/dbraw/zinc/59/05/42/1001590542.db2.gz KVOOGCWHBBSZBL-KRWDZBQOSA-N 1 0 411.506 3.769 20 5 HHBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000498045213 1001620131 /nfs/dbraw/zinc/62/01/31/1001620131.db2.gz UJWDUSVWPZTCNA-YLJYHZDGSA-N 1 0 416.547 3.923 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000498069078 1001629226 /nfs/dbraw/zinc/62/92/26/1001629226.db2.gz BPDGLZLTSCXYIB-UHFFFAOYSA-N 1 0 402.882 3.951 20 5 HHBDRO O=C(c1ccc(Cl)cc1)C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000498106660 1001643289 /nfs/dbraw/zinc/64/32/89/1001643289.db2.gz LZUNCLJPXLRXKB-IBGZPJMESA-N 1 0 418.877 3.583 20 5 HHBDRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498143645 1001661841 /nfs/dbraw/zinc/66/18/41/1001661841.db2.gz IPWOOKLHRZLMNT-UHFFFAOYSA-N 1 0 420.469 3.548 20 5 HHBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc21 ZINC000498147339 1001663108 /nfs/dbraw/zinc/66/31/08/1001663108.db2.gz PPRLAMWOOGFIPO-UHFFFAOYSA-N 1 0 403.442 3.912 20 5 HHBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000498468708 1001897465 /nfs/dbraw/zinc/89/74/65/1001897465.db2.gz VFNDOFQQNNQJOB-HNNXBMFYSA-N 1 0 402.520 3.960 20 5 HHBDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000507315167 1001994248 /nfs/dbraw/zinc/99/42/48/1001994248.db2.gz CGACZQRKALLDSQ-OAHLLOKOSA-N 1 0 423.560 3.617 20 5 HHBDRO COc1cccc(C2CC[NH+](CCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000498693286 1002080724 /nfs/dbraw/zinc/08/07/24/1002080724.db2.gz IOBLNZIQLCXDQK-UHFFFAOYSA-N 1 0 413.474 3.820 20 5 HHBDRO COc1cccc(C2CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)c1 ZINC000498696526 1002083427 /nfs/dbraw/zinc/08/34/27/1002083427.db2.gz RPXXZDGVBKDTDT-UHFFFAOYSA-N 1 0 413.474 3.820 20 5 HHBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC[N@H+](C)Cc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000507462067 1002085544 /nfs/dbraw/zinc/08/55/44/1002085544.db2.gz CDKKFTQZFNWKKH-GOSISDBHSA-N 1 0 410.518 3.693 20 5 HHBDRO COc1ccc(CNC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000507899966 1002434447 /nfs/dbraw/zinc/43/44/47/1002434447.db2.gz CTUZCGFTHBJWDW-AUSIDOKSSA-N 1 0 409.486 3.522 20 5 HHBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-n2cncn2)cc1 ZINC000499070179 1002453400 /nfs/dbraw/zinc/45/34/00/1002453400.db2.gz HGPHFUKQIMUADC-OLZOCXBDSA-N 1 0 414.853 3.507 20 5 HHBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000508023527 1002546676 /nfs/dbraw/zinc/54/66/76/1002546676.db2.gz XTYYKGNGBMTQCJ-UHFFFAOYSA-N 1 0 400.504 3.666 20 5 HHBDRO C[C@@H](Nc1ccc(C(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000508417722 1002905323 /nfs/dbraw/zinc/90/53/23/1002905323.db2.gz NUEMUDAXLPJRQG-QGZVFWFLSA-N 1 0 411.506 3.721 20 5 HHBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000499672182 1003028856 /nfs/dbraw/zinc/02/88/56/1003028856.db2.gz UVMOLSXIPZOHDP-ZDUSSCGKSA-N 1 0 403.401 3.530 20 5 HHBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000508596869 1003055887 /nfs/dbraw/zinc/05/58/87/1003055887.db2.gz VPMOHHZUCNXKDL-NSHDSACASA-N 1 0 409.236 3.612 20 5 HHBDRO CC[NH+](CC)CCOc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)ccc1OC ZINC000499899088 1003232682 /nfs/dbraw/zinc/23/26/82/1003232682.db2.gz ZUVJWSQZVCQCNQ-UHFFFAOYSA-N 1 0 401.463 3.885 20 5 HHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@H](CO)c3cccc(Cl)c3F)o2)c1 ZINC000499937764 1003260151 /nfs/dbraw/zinc/26/01/51/1003260151.db2.gz VJUWMABLUCLWMO-INIZCTEOSA-N 1 0 405.813 3.908 20 5 HHBDRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000499960622 1003280412 /nfs/dbraw/zinc/28/04/12/1003280412.db2.gz CRUBXMDSFGWYLD-UHFFFAOYSA-N 1 0 402.476 3.723 20 5 HHBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000499989354 1003304502 /nfs/dbraw/zinc/30/45/02/1003304502.db2.gz FLRGOOGOKVAUBL-UHFFFAOYSA-N 1 0 410.518 3.642 20 5 HHBDRO Cc1ccc([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)cc1[N+](=O)[O-] ZINC000500106404 1003468213 /nfs/dbraw/zinc/46/82/13/1003468213.db2.gz PBDVUNLKCXUXLB-QGZVFWFLSA-N 1 0 421.501 3.819 20 5 HHBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3ncnc4cccc([N+](=O)[O-])c43)cc2)C[C@H](C)O1 ZINC000509054808 1003519503 /nfs/dbraw/zinc/51/95/03/1003519503.db2.gz RMACKHQWDTXLMP-IYBDPMFKSA-N 1 0 407.474 3.759 20 5 HHBDRO Cc1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1NC(=O)CC[NH+](C)C ZINC000500393194 1003688728 /nfs/dbraw/zinc/68/87/28/1003688728.db2.gz ZMAPERMSOOBTRO-UHFFFAOYSA-N 1 0 412.490 3.710 20 5 HHBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000500433300 1003713283 /nfs/dbraw/zinc/71/32/83/1003713283.db2.gz AAVGBNXXFVEBAW-UHFFFAOYSA-N 1 0 402.882 3.561 20 5 HHBDRO C[C@@H]([NH2+]C1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000500474656 1003736575 /nfs/dbraw/zinc/73/65/75/1003736575.db2.gz SYIWTOCTADTDNV-OAHLLOKOSA-N 1 0 417.893 3.878 20 5 HHBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000511834370 1003810103 /nfs/dbraw/zinc/81/01/03/1003810103.db2.gz YMACZRFCYWTSMM-MRXNPFEDSA-N 1 0 411.355 3.757 20 5 HHBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000500617368 1003834484 /nfs/dbraw/zinc/83/44/84/1003834484.db2.gz KVBGHNDATFAYKA-KFWWJZLASA-N 1 0 402.520 3.815 20 5 HHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512034806 1003970610 /nfs/dbraw/zinc/97/06/10/1003970610.db2.gz JMMQLDVDYWRZBM-QGZVFWFLSA-N 1 0 422.407 3.687 20 5 HHBDRO COc1cc(C[NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)c([N+](=O)[O-])cc1O ZINC000509610942 1003977677 /nfs/dbraw/zinc/97/76/77/1003977677.db2.gz YCTQTXGYYDQXJY-UHFFFAOYSA-N 1 0 414.458 3.682 20 5 HHBDRO Cc1c(Br)cc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000509708385 1004042232 /nfs/dbraw/zinc/04/22/32/1004042232.db2.gz OUSWHJKGVNYKGA-UHFFFAOYSA-N 1 0 412.328 3.858 20 5 HHBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000509781536 1004092514 /nfs/dbraw/zinc/09/25/14/1004092514.db2.gz IIKRSBRKVNLQDG-OAHLLOKOSA-N 1 0 407.392 3.866 20 5 HHBDRO O=C(C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000512211893 1004112951 /nfs/dbraw/zinc/11/29/51/1004112951.db2.gz IXUJGIMKHZPNIV-KRWDZBQOSA-N 1 0 424.284 3.504 20 5 HHBDRO CC[C@H](C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000501035014 1004139056 /nfs/dbraw/zinc/13/90/56/1004139056.db2.gz FUUOUYCKKLGHNQ-HNNXBMFYSA-N 1 0 423.473 3.873 20 5 HHBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000512295002 1004198766 /nfs/dbraw/zinc/19/87/66/1004198766.db2.gz MFMATOCGPUMYNO-CYBMUJFWSA-N 1 0 420.510 3.737 20 5 HHBDRO CC(C)C[C@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000509938110 1004219267 /nfs/dbraw/zinc/21/92/67/1004219267.db2.gz OCHXWBQWAMXPAA-FUHWJXTLSA-N 1 0 413.522 3.869 20 5 HHBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)c2)CC1 ZINC000501158684 1004242596 /nfs/dbraw/zinc/24/25/96/1004242596.db2.gz XLPIAMNQFVPFFQ-UHFFFAOYSA-N 1 0 410.518 3.892 20 5 HHBDRO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512365078 1004249765 /nfs/dbraw/zinc/24/97/65/1004249765.db2.gz RMRGCKDTDNQFSM-UHFFFAOYSA-N 1 0 420.460 3.730 20 5 HHBDRO CCOC(=O)C(C)(C)C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000510145517 1004355775 /nfs/dbraw/zinc/35/57/75/1004355775.db2.gz SXKKQRFNODULQF-UHFFFAOYSA-N 1 0 405.495 3.533 20 5 HHBDRO CCOC(=O)C(C)(C)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000510145520 1004356176 /nfs/dbraw/zinc/35/61/76/1004356176.db2.gz SXRHMOYUHOTQGD-UHFFFAOYSA-N 1 0 405.495 3.533 20 5 HHBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(OC)c(OC)c1 ZINC000510199454 1004391832 /nfs/dbraw/zinc/39/18/32/1004391832.db2.gz MMTKHRZBBABJPB-KRWDZBQOSA-N 1 0 401.463 3.990 20 5 HHBDRO COc1cc(C[NH2+]C2(CCO)CCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512575222 1004395332 /nfs/dbraw/zinc/39/53/32/1004395332.db2.gz WNAXPEGDBILSOQ-UHFFFAOYSA-N 1 0 400.475 3.967 20 5 HHBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000510244997 1004421942 /nfs/dbraw/zinc/42/19/42/1004421942.db2.gz SPPLNIHETVCGMN-CJNGLKHVSA-N 1 0 417.462 3.689 20 5 HHBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000512677236 1004486125 /nfs/dbraw/zinc/48/61/25/1004486125.db2.gz HXFUCOYMAHZSGT-OALUTQOASA-N 1 0 412.534 3.845 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000512683805 1004490611 /nfs/dbraw/zinc/49/06/11/1004490611.db2.gz XRCMLEFDUOSLLY-RTBURBONSA-N 1 0 412.534 3.845 20 5 HHBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512696701 1004500692 /nfs/dbraw/zinc/50/06/92/1004500692.db2.gz DUIMAELBEDMXCA-JLXBBBJOSA-N 1 0 421.545 3.537 20 5 HHBDRO C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512697347 1004501583 /nfs/dbraw/zinc/50/15/83/1004501583.db2.gz AQQQLCOFPQWIPB-DLBZAZTESA-N 1 0 400.523 3.922 20 5 HHBDRO C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512698204 1004502397 /nfs/dbraw/zinc/50/23/97/1004502397.db2.gz HKPHYCBODLPAEZ-CHWSQXEVSA-N 1 0 412.437 3.971 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000501614472 1004553873 /nfs/dbraw/zinc/55/38/73/1004553873.db2.gz BBMPDHRSGWZQEQ-JKSUJKDBSA-N 1 0 420.469 3.584 20 5 HHBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000510509204 1004631019 /nfs/dbraw/zinc/63/10/19/1004631019.db2.gz CUUOQDLDVGFZLC-MGPUTAFESA-N 1 0 413.474 3.501 20 5 HHBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510519867 1004644406 /nfs/dbraw/zinc/64/44/06/1004644406.db2.gz CZOSCRAZNOXNHD-KKSFZXQISA-N 1 0 407.474 3.510 20 5 HHBDRO C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510622339 1004759940 /nfs/dbraw/zinc/75/99/40/1004759940.db2.gz KFNKBAVRKQPWLE-HOCLYGCPSA-N 1 0 408.930 3.743 20 5 HHBDRO CCOc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000513121103 1004818195 /nfs/dbraw/zinc/81/81/95/1004818195.db2.gz YLFPJOUWYKWCNE-HOTGVXAUSA-N 1 0 415.490 3.700 20 5 HHBDRO COC(=O)C[C@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000513127002 1004821681 /nfs/dbraw/zinc/82/16/81/1004821681.db2.gz BEMZTTXMKGIFIW-SFHVURJKSA-N 1 0 407.264 3.925 20 5 HHBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000510750286 1004831893 /nfs/dbraw/zinc/83/18/93/1004831893.db2.gz TUZGGULSYLQKMP-NRFANRHFSA-N 1 0 401.463 3.928 20 5 HHBDRO CCC[C@@H]([NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)c1cccc([N+](=O)[O-])c1 ZINC000502020369 1004865090 /nfs/dbraw/zinc/86/50/90/1004865090.db2.gz VUZXCQMIALXYMC-RJGXRXQPSA-N 1 0 422.529 3.625 20 5 HHBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1SC ZINC000513259186 1004883204 /nfs/dbraw/zinc/88/32/04/1004883204.db2.gz AOEQIBXMOSQQTJ-INIZCTEOSA-N 1 0 415.515 3.720 20 5 HHBDRO C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510907823 1004925211 /nfs/dbraw/zinc/92/52/11/1004925211.db2.gz BLTIKXUKHRNJKF-QWHCGFSZSA-N 1 0 410.312 3.740 20 5 HHBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](Oc3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000513368610 1004928970 /nfs/dbraw/zinc/92/89/70/1004928970.db2.gz XSZCHZVXUPXPER-KRWDZBQOSA-N 1 0 402.447 3.534 20 5 HHBDRO COc1ccc(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513480259 1004984190 /nfs/dbraw/zinc/98/41/90/1004984190.db2.gz ZHYAUHMWZOZKMA-NRFANRHFSA-N 1 0 411.502 3.851 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000511042078 1004994004 /nfs/dbraw/zinc/99/40/04/1004994004.db2.gz ATUGVEWHYRQYNY-FXAWDEMLSA-N 1 0 411.502 3.878 20 5 HHBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000511046323 1004995750 /nfs/dbraw/zinc/99/57/50/1004995750.db2.gz MHVWQKJGXMYWCQ-UHFFFAOYSA-N 1 0 413.474 3.810 20 5 HHBDRO CS(=O)(=O)c1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000502335901 1005018775 /nfs/dbraw/zinc/01/87/75/1005018775.db2.gz UUGYPQFOPXMRRG-AUUYWEPGSA-N 1 0 406.479 3.638 20 5 HHBDRO Cc1cc(NC(=O)CN(C)CCc2ccccc2[N+](=O)[O-])n(-c2ccc(C)cc2)n1 ZINC000511120696 1005028659 /nfs/dbraw/zinc/02/86/59/1005028659.db2.gz CZPOELPDHGFDGG-UHFFFAOYSA-N 1 0 407.474 3.510 20 5 HHBDRO Cc1ccc(NCCCNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000511246633 1005089527 /nfs/dbraw/zinc/08/95/27/1005089527.db2.gz GZLVATIALPZGKO-ZWKOTPCHSA-N 1 0 417.554 3.657 20 5 HHBDRO Cn1ccnc1[C@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000513716979 1005094566 /nfs/dbraw/zinc/09/45/66/1005094566.db2.gz KOLWVUGUJJIPIX-JOCHJYFZSA-N 1 0 419.529 3.844 20 5 HHBDRO CC[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000513735472 1005102584 /nfs/dbraw/zinc/10/25/84/1005102584.db2.gz OEEHRYFSDPUVQZ-QGZVFWFLSA-N 1 0 419.428 3.763 20 5 HHBDRO C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511295933 1005112769 /nfs/dbraw/zinc/11/27/69/1005112769.db2.gz WXNKFEAMEKEMDG-LSDHHAIUSA-N 1 0 409.914 3.786 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000513828232 1005148632 /nfs/dbraw/zinc/14/86/32/1005148632.db2.gz FYLXIQIKJLEJSZ-IGABQKFOSA-N 1 0 423.557 3.779 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000513828231 1005148676 /nfs/dbraw/zinc/14/86/76/1005148676.db2.gz FYLXIQIKJLEJSZ-BIHRQFPBSA-N 1 0 423.557 3.779 20 5 HHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000513828935 1005149008 /nfs/dbraw/zinc/14/90/08/1005149008.db2.gz SHSHNBZWMMVVPO-ODGPQVTHSA-N 1 0 409.530 3.533 20 5 HHBDRO C[C@H]1C[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000511528268 1005211608 /nfs/dbraw/zinc/21/16/08/1005211608.db2.gz DSUNRKXHEDGRTR-RXVVDRJESA-N 1 0 410.518 3.832 20 5 HHBDRO CCOc1cc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000511602369 1005240921 /nfs/dbraw/zinc/24/09/21/1005240921.db2.gz ANZYTPOCHBTCFP-GOSISDBHSA-N 1 0 409.280 3.753 20 5 HHBDRO C[C@H]1C[C@@H](CCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000511642146 1005257311 /nfs/dbraw/zinc/25/73/11/1005257311.db2.gz GOMNWAJWFQTICQ-FUHWJXTLSA-N 1 0 417.531 3.711 20 5 HHBDRO CC[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000514093221 1005262077 /nfs/dbraw/zinc/26/20/77/1005262077.db2.gz IGNJQOSZXKFHRB-FYYLOGMGSA-N 1 0 419.529 3.844 20 5 HHBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000514186195 1005303420 /nfs/dbraw/zinc/30/34/20/1005303420.db2.gz OFIJQWFJNOKAFA-JOCHJYFZSA-N 1 0 408.502 3.753 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514188685 1005304198 /nfs/dbraw/zinc/30/41/98/1005304198.db2.gz GUYARRUIZOTMRE-UHFFFAOYSA-N 1 0 411.380 3.539 20 5 HHBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000514248511 1005332686 /nfs/dbraw/zinc/33/26/86/1005332686.db2.gz RKHFDXQUQXMICB-GQIGUUNPSA-N 1 0 413.474 3.760 20 5 HHBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])N[C@H]1CCOc2ccccc21 ZINC000503912079 1005510574 /nfs/dbraw/zinc/51/05/74/1005510574.db2.gz REPMPDSOMVJPKP-DBVUQKKJSA-N 1 0 409.486 3.536 20 5 HHBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000514572982 1006042610 /nfs/dbraw/zinc/04/26/10/1006042610.db2.gz CXUVVUVAVMIVFP-OAHLLOKOSA-N 1 0 423.391 3.540 20 5 HHBDRO COCCC[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000514642535 1006068280 /nfs/dbraw/zinc/06/82/80/1006068280.db2.gz KWSXNFVAAWQUDT-QGZVFWFLSA-N 1 0 422.279 3.663 20 5 HHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](Cc2ccccc2OC)C(C)C)c([N+](=O)[O-])c1 ZINC000531368613 1006153467 /nfs/dbraw/zinc/15/34/67/1006153467.db2.gz UUJUZMJYIQBKFS-KXBFYZLASA-N 1 0 415.490 3.796 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534213323 1006207645 /nfs/dbraw/zinc/20/76/45/1006207645.db2.gz JENVYNYTPRDMEI-LEWJYISDSA-N 1 0 417.554 3.704 20 5 HHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000515189479 1006331108 /nfs/dbraw/zinc/33/11/08/1006331108.db2.gz NADZBWQAZDSUCI-JYYAWHABSA-N 1 0 408.930 3.912 20 5 HHBDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1O ZINC000515253956 1006363774 /nfs/dbraw/zinc/36/37/74/1006363774.db2.gz BHLXKDWOWKLMKF-INIZCTEOSA-N 1 0 412.442 3.510 20 5 HHBDRO Cc1ccc([C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000531705820 1006367968 /nfs/dbraw/zinc/36/79/68/1006367968.db2.gz CQGDTMDEDQOXHL-BEFAXECRSA-N 1 0 400.479 3.640 20 5 HHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000531888821 1006500084 /nfs/dbraw/zinc/50/00/84/1006500084.db2.gz ZAVQQJVFRDPBDR-KRWDZBQOSA-N 1 0 410.396 3.822 20 5 HHBDRO C[C@H]1C[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[N@@H+]1Cc1ccccc1 ZINC000534517368 1006512289 /nfs/dbraw/zinc/51/22/89/1006512289.db2.gz IZLZNOSEEHXDFG-FXAWDEMLSA-N 1 0 408.502 3.716 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000534580677 1006568428 /nfs/dbraw/zinc/56/84/28/1006568428.db2.gz MPUOSFGWFGQZMB-SFHVURJKSA-N 1 0 407.474 3.746 20 5 HHBDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000532120901 1006652986 /nfs/dbraw/zinc/65/29/86/1006652986.db2.gz WZLHNCNZDULBFH-BUBHHJDNSA-N 1 0 415.309 3.864 20 5 HHBDRO O=C(C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000538391523 1006661377 /nfs/dbraw/zinc/66/13/77/1006661377.db2.gz HDVJJRAQZDIIHB-FQEVSTJZSA-N 1 0 417.849 3.699 20 5 HHBDRO O=C(NCCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000538395859 1006665049 /nfs/dbraw/zinc/66/50/49/1006665049.db2.gz GCKNWGJPFRHIAX-YWEYNIOJSA-N 1 0 418.291 3.780 20 5 HHBDRO C[C@H](CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[S@](C)=O ZINC000532208385 1006722429 /nfs/dbraw/zinc/72/24/29/1006722429.db2.gz SQGDECOOJJVHKC-BCOMRZATSA-N 1 0 412.515 3.694 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000532214046 1006726627 /nfs/dbraw/zinc/72/66/27/1006726627.db2.gz RWWBVYDBXNTLRW-INIZCTEOSA-N 1 0 405.520 3.582 20 5 HHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000538592374 1006861310 /nfs/dbraw/zinc/86/13/10/1006861310.db2.gz SFDKPWBAUAOSFU-HZPDHXFCSA-N 1 0 409.552 3.716 20 5 HHBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000516112829 1006891031 /nfs/dbraw/zinc/89/10/31/1006891031.db2.gz FHNKSPDMIYPVGD-JOCHJYFZSA-N 1 0 415.440 3.540 20 5 HHBDRO CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cc(Cl)cc(Cl)c1 ZINC000532472631 1006911968 /nfs/dbraw/zinc/91/19/68/1006911968.db2.gz KNEGOOKKMBTKDQ-UHFFFAOYSA-N 1 0 412.229 3.701 20 5 HHBDRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000534912967 1006946810 /nfs/dbraw/zinc/94/68/10/1006946810.db2.gz LOVLIHPGVCJDHY-QGZVFWFLSA-N 1 0 409.490 3.567 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000532574856 1007006982 /nfs/dbraw/zinc/00/69/82/1007006982.db2.gz KMMDVKLGHDDNIL-UHFFFAOYSA-N 1 0 401.438 3.778 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000516325802 1007015813 /nfs/dbraw/zinc/01/58/13/1007015813.db2.gz KFEKMYNPQCZKAI-GOSISDBHSA-N 1 0 411.502 3.912 20 5 HHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)ccc1Oc1ccc(F)cc1 ZINC000538734594 1007016763 /nfs/dbraw/zinc/01/67/63/1007016763.db2.gz OUOPVIYWOIVUIQ-GOSISDBHSA-N 1 0 415.465 3.680 20 5 HHBDRO CN(C(=O)CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000534965414 1007017035 /nfs/dbraw/zinc/01/70/35/1007017035.db2.gz UGACPBDLPOOOOK-UHFFFAOYSA-N 1 0 422.529 3.546 20 5 HHBDRO Cn1cc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538759430 1007044202 /nfs/dbraw/zinc/04/42/02/1007044202.db2.gz ZAQFXPPHBIMMGN-INIZCTEOSA-N 1 0 408.462 3.635 20 5 HHBDRO Cn1cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538761360 1007046293 /nfs/dbraw/zinc/04/62/93/1007046293.db2.gz YQFNMQCJSBBJJW-NRFANRHFSA-N 1 0 414.506 3.545 20 5 HHBDRO COC[C@@H]([NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000532737659 1007147379 /nfs/dbraw/zinc/14/73/79/1007147379.db2.gz VMHMWFMLRNNLDL-RTBURBONSA-N 1 0 403.866 3.943 20 5 HHBDRO Cc1cccc(C[NH+]2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 ZINC000532756421 1007164359 /nfs/dbraw/zinc/16/43/59/1007164359.db2.gz WBBKSACAOZYJCO-UHFFFAOYSA-N 1 0 406.486 3.919 20 5 HHBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000532827073 1007210632 /nfs/dbraw/zinc/21/06/32/1007210632.db2.gz GUBCNCLSZZJJNC-CQSZACIVSA-N 1 0 403.866 3.638 20 5 HHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000516691903 1007238195 /nfs/dbraw/zinc/23/81/95/1007238195.db2.gz ZGQHLDFUNKHXRK-UHFFFAOYSA-N 1 0 424.501 3.763 20 5 HHBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000539056564 1007352392 /nfs/dbraw/zinc/35/23/92/1007352392.db2.gz PTPVJJOCWFVLGK-KBPBESRZSA-N 1 0 409.280 3.756 20 5 HHBDRO NC(=O)N1CCC([NH2+]Cc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC1 ZINC000539071985 1007362934 /nfs/dbraw/zinc/36/29/34/1007362934.db2.gz ZNFDIRZHWVTAIL-UHFFFAOYSA-N 1 0 422.844 3.812 20 5 HHBDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000539075434 1007366058 /nfs/dbraw/zinc/36/60/58/1007366058.db2.gz GLAMEVGPRUFZJP-MRXNPFEDSA-N 1 0 405.520 3.785 20 5 HHBDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000539085569 1007374625 /nfs/dbraw/zinc/37/46/25/1007374625.db2.gz ONZPVEMLKQACDD-QIJUGHKUSA-N 1 0 423.513 3.705 20 5 HHBDRO COc1cc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)ccc1S(C)(=O)=O ZINC000539086537 1007375966 /nfs/dbraw/zinc/37/59/66/1007375966.db2.gz ATEIGLMZRDWPAO-OAHLLOKOSA-N 1 0 406.504 3.680 20 5 HHBDRO C[C@@H](NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000517047935 1007381287 /nfs/dbraw/zinc/38/12/87/1007381287.db2.gz GURLZZYYYHYYGB-JPYJTQIMSA-N 1 0 408.502 3.963 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000539121975 1007410655 /nfs/dbraw/zinc/41/06/55/1007410655.db2.gz LLQHRUVRJKPUML-PXNSSMCTSA-N 1 0 411.502 3.878 20 5 HHBDRO COc1ccc(CC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000533115134 1007461468 /nfs/dbraw/zinc/46/14/68/1007461468.db2.gz KAGCGAMALDSCLP-PXNSSMCTSA-N 1 0 411.502 3.563 20 5 HHBDRO C[C@H]1C[C@H](CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000535409842 1007478782 /nfs/dbraw/zinc/47/87/82/1007478782.db2.gz SFGXJNNVOZXYEB-RXVVDRJESA-N 1 0 410.518 3.737 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000539220709 1007514131 /nfs/dbraw/zinc/51/41/31/1007514131.db2.gz HRCBBCYCHXKLIW-LBPRGKRZSA-N 1 0 409.389 3.884 20 5 HHBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000535461711 1007525480 /nfs/dbraw/zinc/52/54/80/1007525480.db2.gz AOAFYFATMSADMD-IAGOWNOFSA-N 1 0 404.264 3.533 20 5 HHBDRO O=C(NC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1)c1ccccc1 ZINC000533228756 1007550237 /nfs/dbraw/zinc/55/02/37/1007550237.db2.gz FYLXYOUWGGBVGK-UHFFFAOYSA-N 1 0 420.469 3.687 20 5 HHBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000533242625 1007562335 /nfs/dbraw/zinc/56/23/35/1007562335.db2.gz XFWPQNKETSJHER-JOCHJYFZSA-N 1 0 410.518 3.857 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000539268864 1007564214 /nfs/dbraw/zinc/56/42/14/1007564214.db2.gz ZOXZBIMYZYWOSM-GFCCVEGCSA-N 1 0 407.854 3.945 20 5 HHBDRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000539282193 1007578058 /nfs/dbraw/zinc/57/80/58/1007578058.db2.gz WEABRHMSCZNNIC-QWHCGFSZSA-N 1 0 406.280 3.885 20 5 HHBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC1(c2ccc(Br)cc2)CC1 ZINC000533296248 1007612025 /nfs/dbraw/zinc/61/20/25/1007612025.db2.gz XGVKARAEBDOMKS-UHFFFAOYSA-N 1 0 418.291 3.959 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000533301921 1007619394 /nfs/dbraw/zinc/61/93/94/1007619394.db2.gz QTGNDUYKRFBGPG-ZBFHGGJFSA-N 1 0 401.438 3.634 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000539333634 1007633803 /nfs/dbraw/zinc/63/38/03/1007633803.db2.gz AOUIOYLFUZZSPZ-VQIMIIECSA-N 1 0 413.474 3.690 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)c1 ZINC000539334741 1007634686 /nfs/dbraw/zinc/63/46/86/1007634686.db2.gz HWPKRYOYLFGTEW-PUHATCMVSA-N 1 0 406.486 3.603 20 5 HHBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)c1 ZINC000539334740 1007635210 /nfs/dbraw/zinc/63/52/10/1007635210.db2.gz HWPKRYOYLFGTEW-MZYLBHOOSA-N 1 0 406.486 3.603 20 5 HHBDRO [NH3+]CCN(Cc1nc(-c2cccc(Br)c2)c[nH]1)c1ccccc1[N+](=O)[O-] ZINC000517439263 1007660839 /nfs/dbraw/zinc/66/08/39/1007660839.db2.gz VSRFXGFVZAOPMX-UHFFFAOYSA-N 1 0 416.279 3.713 20 5 HHBDRO C[NH+](C)Cc1ccc(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000535670233 1007688369 /nfs/dbraw/zinc/68/83/69/1007688369.db2.gz JZJYMMULWAGLHD-UHFFFAOYSA-N 1 0 402.470 3.618 20 5 HHBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000535670141 1007688548 /nfs/dbraw/zinc/68/85/48/1007688548.db2.gz BDDGZUVKNQFJMJ-UHFFFAOYSA-N 1 0 402.401 3.558 20 5 HHBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000539413162 1007720602 /nfs/dbraw/zinc/72/06/02/1007720602.db2.gz GSURFDIBUPUONV-UHFFFAOYSA-N 1 0 422.460 4.000 20 5 HHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000533436759 1007751589 /nfs/dbraw/zinc/75/15/89/1007751589.db2.gz QMXWKEXHRIHMEH-INIZCTEOSA-N 1 0 401.438 3.636 20 5 HHBDRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000539447392 1007759057 /nfs/dbraw/zinc/75/90/57/1007759057.db2.gz VCISSOPZERPZED-SOFGYWHQSA-N 1 0 402.516 3.969 20 5 HHBDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C/C=C\c3ccccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000539475480 1007786690 /nfs/dbraw/zinc/78/66/90/1007786690.db2.gz RKLNYFYDUDLZHA-DIWYCERUSA-N 1 0 409.486 3.647 20 5 HHBDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000539510945 1007820899 /nfs/dbraw/zinc/82/08/99/1007820899.db2.gz UZJXPYXRAGSCPP-DYESRHJHSA-N 1 0 405.502 3.920 20 5 HHBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000535814070 1007825655 /nfs/dbraw/zinc/82/56/55/1007825655.db2.gz WZOQEUOOQADSRB-UHFFFAOYSA-N 1 0 405.458 3.671 20 5 HHBDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539525826 1007833684 /nfs/dbraw/zinc/83/36/84/1007833684.db2.gz LDGKXBZMFLHKIX-HYDGNGQDSA-N 1 0 412.515 3.694 20 5 HHBDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539525824 1007834239 /nfs/dbraw/zinc/83/42/39/1007834239.db2.gz LDGKXBZMFLHKIX-BCOMRZATSA-N 1 0 412.515 3.694 20 5 HHBDRO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cccc1[N+](=O)[O-] ZINC000533519590 1007838485 /nfs/dbraw/zinc/83/84/85/1007838485.db2.gz HXAIWFMPDNSFJM-HNNXBMFYSA-N 1 0 407.474 3.986 20 5 HHBDRO COc1cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000517786268 1007968120 /nfs/dbraw/zinc/96/81/20/1007968120.db2.gz RCJKJGQAWWHDLB-KRWDZBQOSA-N 1 0 408.458 3.553 20 5 HHBDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)C2)c1 ZINC000539665141 1007983841 /nfs/dbraw/zinc/98/38/41/1007983841.db2.gz ZWKJYEYPKCUYGR-XMSQKQJNSA-N 1 0 411.502 3.802 20 5 HHBDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000535965793 1008002388 /nfs/dbraw/zinc/00/23/88/1008002388.db2.gz LXYNJHQWDMKKTQ-SFHVURJKSA-N 1 0 418.457 3.968 20 5 HHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c2c(c1)COCO2 ZINC000539767023 1008084023 /nfs/dbraw/zinc/08/40/23/1008084023.db2.gz UBQYCJGFMJYSMB-INIZCTEOSA-N 1 0 421.457 3.626 20 5 HHBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536093647 1008115322 /nfs/dbraw/zinc/11/53/22/1008115322.db2.gz AAASIDIZFGSMMZ-UHFFFAOYSA-N 1 0 414.893 3.862 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](CN4CCOCC4)C3)o2)c(Cl)c1 ZINC000539835012 1008127750 /nfs/dbraw/zinc/12/77/50/1008127750.db2.gz AOENUCUSITZXJN-OAHLLOKOSA-N 1 0 405.882 3.662 20 5 HHBDRO O=C1NCCCN1C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000539836111 1008128411 /nfs/dbraw/zinc/12/84/11/1008128411.db2.gz SGGJSMGHSXSHOI-UHFFFAOYSA-N 1 0 400.504 3.703 20 5 HHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)nc1 ZINC000539835750 1008128597 /nfs/dbraw/zinc/12/85/97/1008128597.db2.gz RTFUIBBSJOZGIW-GOSISDBHSA-N 1 0 405.458 3.650 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000539843574 1008134472 /nfs/dbraw/zinc/13/44/72/1008134472.db2.gz AGVGARAQMYJJCO-QGZVFWFLSA-N 1 0 411.502 3.671 20 5 HHBDRO COc1cc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539893368 1008168154 /nfs/dbraw/zinc/16/81/54/1008168154.db2.gz XGUWDTLTWIQPIJ-AZUAARDMSA-N 1 0 400.475 3.775 20 5 HHBDRO O=C1C[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1Cc1ccccc1 ZINC000533893498 1008187129 /nfs/dbraw/zinc/18/71/29/1008187129.db2.gz ZJAGZJXAPKWENT-GOSISDBHSA-N 1 0 405.454 3.993 20 5 HHBDRO Cn1cc(CNc2cccc(OCCC[NH+](C)C)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539930217 1008189966 /nfs/dbraw/zinc/18/99/66/1008189966.db2.gz AILQUGXFRQDNDQ-UHFFFAOYSA-N 1 0 409.490 3.938 20 5 HHBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000533907283 1008197480 /nfs/dbraw/zinc/19/74/80/1008197480.db2.gz WFHPSMNNYVJKEW-UHFFFAOYSA-N 1 0 424.526 3.849 20 5 HHBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000518261975 1008231651 /nfs/dbraw/zinc/23/16/51/1008231651.db2.gz XGJJEVRTZPXYMR-GASCZTMLSA-N 1 0 414.481 3.724 20 5 HHBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000518355133 1008274071 /nfs/dbraw/zinc/27/40/71/1008274071.db2.gz RZAJHKKBDGZXCE-UHFFFAOYSA-N 1 0 408.458 3.620 20 5 HHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000540143673 1008310389 /nfs/dbraw/zinc/31/03/89/1008310389.db2.gz HCHCNKYZBRNGAF-ODLKPZKQSA-N 1 0 419.428 3.894 20 5 HHBDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000540166262 1008318965 /nfs/dbraw/zinc/31/89/65/1008318965.db2.gz RJCXEOPBSXGVRC-QGZVFWFLSA-N 1 0 419.547 3.534 20 5 HHBDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000540170114 1008320709 /nfs/dbraw/zinc/32/07/09/1008320709.db2.gz YRKRTCLKFZZCFX-CYBMUJFWSA-N 1 0 407.854 3.643 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000540170639 1008320770 /nfs/dbraw/zinc/32/07/70/1008320770.db2.gz HVDQFPVEHAYYMM-QGZVFWFLSA-N 1 0 417.531 3.548 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000540179104 1008324929 /nfs/dbraw/zinc/32/49/29/1008324929.db2.gz MLUNWEBEMABFSS-MRXNPFEDSA-N 1 0 416.909 3.556 20 5 HHBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000540191533 1008329471 /nfs/dbraw/zinc/32/94/71/1008329471.db2.gz UIBLUGJUSYDPLE-OAHLLOKOSA-N 1 0 415.471 3.517 20 5 HHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000540192113 1008329664 /nfs/dbraw/zinc/32/96/64/1008329664.db2.gz ZANJCXFEQSSYFU-CQSZACIVSA-N 1 0 418.881 3.974 20 5 HHBDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000540328290 1008382084 /nfs/dbraw/zinc/38/20/84/1008382084.db2.gz UNVYMQYEUZJUSQ-KBPBESRZSA-N 1 0 417.462 3.607 20 5 HHBDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCC(C)C ZINC000540371176 1008403947 /nfs/dbraw/zinc/40/39/47/1008403947.db2.gz ZVHJHMZWGVDWNO-OAHLLOKOSA-N 1 0 401.463 3.928 20 5 HHBDRO COc1cc(F)c([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000540388452 1008412031 /nfs/dbraw/zinc/41/20/31/1008412031.db2.gz QCADUTFSAKKEDZ-CYBMUJFWSA-N 1 0 405.426 3.739 20 5 HHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)c1 ZINC000518798663 1008424190 /nfs/dbraw/zinc/42/41/90/1008424190.db2.gz NDZXFJRYKTZVPX-UHFFFAOYSA-N 1 0 419.522 3.537 20 5 HHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000540450827 1008438149 /nfs/dbraw/zinc/43/81/49/1008438149.db2.gz ZVNONZJPOHYZGO-SFHVURJKSA-N 1 0 401.532 3.998 20 5 HHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000518845807 1008442971 /nfs/dbraw/zinc/44/29/71/1008442971.db2.gz VXNYUAWHVYITFZ-QGZVFWFLSA-N 1 0 402.882 3.770 20 5 HHBDRO O=[N+]([O-])c1cc(Br)ccc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000519155026 1008567370 /nfs/dbraw/zinc/56/73/70/1008567370.db2.gz KILPEQZAJUPUIK-UHFFFAOYSA-N 1 0 420.307 3.926 20 5 HHBDRO Cn1ccc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000545468860 1008577561 /nfs/dbraw/zinc/57/75/61/1008577561.db2.gz SSYDDYYQHAXBBM-UHFFFAOYSA-N 1 0 402.458 3.513 20 5 HHBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000549109146 1008673142 /nfs/dbraw/zinc/67/31/42/1008673142.db2.gz OLXLWRRSHPEYGB-IBGZPJMESA-N 1 0 404.898 3.735 20 5 HHBDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543138537 1008711671 /nfs/dbraw/zinc/71/16/71/1008711671.db2.gz DHFUEEWTPBMXCY-INIZCTEOSA-N 1 0 423.307 3.708 20 5 HHBDRO CC[NH+]1CCN(c2ccc(-c3noc(/C(C)=C\c4ccc([N+](=O)[O-])cc4)n3)cn2)CC1 ZINC000545695117 1008788921 /nfs/dbraw/zinc/78/89/21/1008788921.db2.gz JKFXTEHYMMCZTI-PEZBUJJGSA-N 1 0 420.473 3.742 20 5 HHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000543411162 1009004000 /nfs/dbraw/zinc/00/40/00/1009004000.db2.gz IVWRYGPMZXDYEZ-WTOYTKOKSA-N 1 0 404.470 3.650 20 5 HHBDRO C[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543537098 1009127458 /nfs/dbraw/zinc/12/74/58/1009127458.db2.gz MCCLLMWJUXHAPO-AWEZNQCLSA-N 1 0 403.429 3.757 20 5 HHBDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3F)CC[N@@H+]2C2CC2)c1 ZINC000543640925 1009244684 /nfs/dbraw/zinc/24/46/84/1009244684.db2.gz ACZQHBFSLJHNOI-UXHICEINSA-N 1 0 414.437 3.842 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000543748578 1009327515 /nfs/dbraw/zinc/32/75/15/1009327515.db2.gz YKLACSBNVGQKGB-FUHWJXTLSA-N 1 0 400.475 3.775 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](CC(C)C)N3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000520210357 1009344650 /nfs/dbraw/zinc/34/46/50/1009344650.db2.gz KAMOWXKUWMQGJN-KRWDZBQOSA-N 1 0 417.506 3.700 20 5 HHBDRO O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000520246000 1009365296 /nfs/dbraw/zinc/36/52/96/1009365296.db2.gz BGBLMPCBYQLTTA-GOSISDBHSA-N 1 0 405.458 3.631 20 5 HHBDRO COc1ccc2[nH]cc(C3=CC[N@H+](C[C@H](O)COc4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000549761128 1009377369 /nfs/dbraw/zinc/37/73/69/1009377369.db2.gz FQEDVMWMCFACES-SFHVURJKSA-N 1 0 423.469 3.614 20 5 HHBDRO C[NH+]1CCN(c2ccccc2-c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000546416990 1009435511 /nfs/dbraw/zinc/43/55/11/1009435511.db2.gz GSCIWISXKPNOTF-UHFFFAOYSA-N 1 0 415.400 3.537 20 5 HHBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000543891708 1009471123 /nfs/dbraw/zinc/47/11/23/1009471123.db2.gz GXRAVIBQEZJNLM-SFHVURJKSA-N 1 0 412.490 3.979 20 5 HHBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000543950926 1009549412 /nfs/dbraw/zinc/54/94/12/1009549412.db2.gz JETUBYXHWZHPGH-UHFFFAOYSA-N 1 0 413.522 3.755 20 5 HHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)c1 ZINC000520524004 1009613805 /nfs/dbraw/zinc/61/38/05/1009613805.db2.gz XMFPVKWBIAHOSZ-GOEBONIOSA-N 1 0 408.857 3.834 20 5 HHBDRO O=C1[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCN1Cc1ccccn1 ZINC000544182841 1009786818 /nfs/dbraw/zinc/78/68/18/1009786818.db2.gz CFMKZSYCZFYTRR-LJQANCHMSA-N 1 0 422.510 3.999 20 5 HHBDRO COc1ccc(-c2ccc(C[NH2+]Cc3cccc(N4CCOCC4)c3)o2)c([N+](=O)[O-])c1 ZINC000550228476 1009790149 /nfs/dbraw/zinc/79/01/49/1009790149.db2.gz VCLSLAHBVQHAFC-UHFFFAOYSA-N 1 0 423.469 3.990 20 5 HHBDRO COc1ccc(C[NH2+][C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000550291358 1009837160 /nfs/dbraw/zinc/83/71/60/1009837160.db2.gz BOVOQHCHKGHGBV-KDOFPFPSSA-N 1 0 401.438 3.584 20 5 HHBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000520813820 1009879351 /nfs/dbraw/zinc/87/93/51/1009879351.db2.gz UZKUKFNFBKAQLT-UHFFFAOYSA-N 1 0 422.529 3.836 20 5 HHBDRO C[C@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000520853937 1009908159 /nfs/dbraw/zinc/90/81/59/1009908159.db2.gz QGAQDLAWFDNREU-CQSZACIVSA-N 1 0 416.444 3.652 20 5 HHBDRO C[C@H](CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000520859886 1009914789 /nfs/dbraw/zinc/91/47/89/1009914789.db2.gz JJPLKDRXNHPANG-QZTJIDSGSA-N 1 0 402.539 3.681 20 5 HHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000520868714 1009921661 /nfs/dbraw/zinc/92/16/61/1009921661.db2.gz RZZNXAHERCAOEU-IAGOWNOFSA-N 1 0 413.522 3.729 20 5 HHBDRO O=C(CCc1ccccc1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000544353327 1009979364 /nfs/dbraw/zinc/97/93/64/1009979364.db2.gz GHMXLHGYWDHHID-UHFFFAOYSA-N 1 0 401.894 3.962 20 5 HHBDRO CCc1ccc([C@H](NC[C@H](C)C[NH+]2CCN(CC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544357272 1009983705 /nfs/dbraw/zinc/98/37/05/1009983705.db2.gz IWAKYWGIJCSSOV-FDDCHVKYSA-N 1 0 414.550 3.703 20 5 HHBDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000520949428 1010001629 /nfs/dbraw/zinc/00/16/29/1010001629.db2.gz BGKZPCFTBSXSIH-KRWDZBQOSA-N 1 0 419.485 3.548 20 5 HHBDRO CC(C)c1ccc([C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2cccs2)cc1 ZINC000520953826 1010003669 /nfs/dbraw/zinc/00/36/69/1010003669.db2.gz OPHZDDNGEBOPSV-UYAOXDASSA-N 1 0 400.504 3.716 20 5 HHBDRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000544402520 1010021849 /nfs/dbraw/zinc/02/18/49/1010021849.db2.gz GVUJBHJYFVVTSJ-OAHLLOKOSA-N 1 0 400.454 3.618 20 5 HHBDRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c(C)c2c1 ZINC000544475693 1010098532 /nfs/dbraw/zinc/09/85/32/1010098532.db2.gz ZFXHKTOCVOEORA-ZDUSSCGKSA-N 1 0 413.430 3.956 20 5 HHBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000544608988 1010235913 /nfs/dbraw/zinc/23/59/13/1010235913.db2.gz ILYGIVMCPYBJBN-INIZCTEOSA-N 1 0 414.481 3.614 20 5 HHBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000544622054 1010246054 /nfs/dbraw/zinc/24/60/54/1010246054.db2.gz PRWJGMZXVVCRHP-UXHICEINSA-N 1 0 421.517 3.535 20 5 HHBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000551230345 1010452657 /nfs/dbraw/zinc/45/26/57/1010452657.db2.gz XTUDACBEOWYXOQ-DYESRHJHSA-N 1 0 401.507 3.610 20 5 HHBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000521639904 1010517630 /nfs/dbraw/zinc/51/76/30/1010517630.db2.gz DWJXNIKNLYQALS-FUHWJXTLSA-N 1 0 400.523 3.578 20 5 HHBDRO COc1ccc(C[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)cc1[N+](=O)[O-] ZINC000521828404 1010643892 /nfs/dbraw/zinc/64/38/92/1010643892.db2.gz WHWQIGSNRHXEHN-UHFFFAOYSA-N 1 0 409.442 3.876 20 5 HHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000521839399 1010651499 /nfs/dbraw/zinc/65/14/99/1010651499.db2.gz XWFPNOGRYZPCDK-DNVCBOLYSA-N 1 0 413.474 3.848 20 5 HHBDRO O=C(CC[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000548763520 1010725374 /nfs/dbraw/zinc/72/53/74/1010725374.db2.gz GIGJYDLEZZISAG-UHFFFAOYSA-N 1 0 417.893 3.915 20 5 HHBDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548825332 1010738881 /nfs/dbraw/zinc/73/88/81/1010738881.db2.gz OSQZZGATZRLHFM-ZDUSSCGKSA-N 1 0 406.280 3.907 20 5 HHBDRO NC(=O)C1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000522213885 1010869623 /nfs/dbraw/zinc/86/96/23/1010869623.db2.gz HASYRKVLWWDTHI-UHFFFAOYSA-N 1 0 419.485 3.581 20 5 HHBDRO CC1CCC([NH+]2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)CC1 ZINC000522347489 1010946022 /nfs/dbraw/zinc/94/60/22/1010946022.db2.gz QKWPUTXAYBPIQF-UHFFFAOYSA-N 1 0 417.553 3.878 20 5 HHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000522641052 1011130369 /nfs/dbraw/zinc/13/03/69/1011130369.db2.gz MRIQCYIWMOJOJH-BFYDXBDKSA-N 1 0 409.914 3.881 20 5 HHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000522703165 1011167237 /nfs/dbraw/zinc/16/72/37/1011167237.db2.gz ITOPEZKHXUUGDJ-IRXDYDNUSA-N 1 0 423.941 3.986 20 5 HHBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000522882395 1011327119 /nfs/dbraw/zinc/32/71/19/1011327119.db2.gz ZWWXPMJKZDVUOD-UHFFFAOYSA-N 1 0 402.882 3.951 20 5 HHBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000536206778 1011352189 /nfs/dbraw/zinc/35/21/89/1011352189.db2.gz UMMGRWXEQIBXRW-APWZRJJASA-N 1 0 402.520 3.581 20 5 HHBDRO NC(=O)C1CC[NH+](Cc2cccc(N[C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)c2)CC1 ZINC000540736218 1011387618 /nfs/dbraw/zinc/38/76/18/1011387618.db2.gz COQFDOLAOUHFJI-JOCHJYFZSA-N 1 0 422.529 3.725 20 5 HHBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000540867246 1011546711 /nfs/dbraw/zinc/54/67/11/1011546711.db2.gz ZZNDQWSYLWCUSY-KRWDZBQOSA-N 1 0 423.473 3.647 20 5 HHBDRO COc1cc2c(cc1OC)CC[NH+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000536356317 1011564476 /nfs/dbraw/zinc/56/44/76/1011564476.db2.gz WGABZSDRGHDLTG-UHFFFAOYSA-N 1 0 409.442 3.868 20 5 HHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)ccc1Oc1ccc(F)cc1 ZINC000536397364 1011604389 /nfs/dbraw/zinc/60/43/89/1011604389.db2.gz WPZPNNMUOFUOAI-DYESRHJHSA-N 1 0 402.422 3.954 20 5 HHBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000540998524 1011633652 /nfs/dbraw/zinc/63/36/52/1011633652.db2.gz WQZVJXQHVKLNHY-PBHICJAKSA-N 1 0 419.428 3.979 20 5 HHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000541022661 1011656677 /nfs/dbraw/zinc/65/66/77/1011656677.db2.gz BMSFVVJKOWWSSJ-OAHLLOKOSA-N 1 0 423.473 3.777 20 5 HHBDRO COc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000541103437 1011750796 /nfs/dbraw/zinc/75/07/96/1011750796.db2.gz YMRLQPBNOOTVSP-FZKQIMNGSA-N 1 0 404.492 3.870 20 5 HHBDRO CC[N@H+](CCC1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000536593310 1011756439 /nfs/dbraw/zinc/75/64/39/1011756439.db2.gz GYMSVIAXTQWIKE-UHFFFAOYSA-N 1 0 402.539 3.681 20 5 HHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000536732241 1011906631 /nfs/dbraw/zinc/90/66/31/1011906631.db2.gz BDWGKKOFCHUHQY-KRWDZBQOSA-N 1 0 414.481 3.750 20 5 HHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)CSc2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000541261547 1011948137 /nfs/dbraw/zinc/94/81/37/1011948137.db2.gz HPAOFADMRONPQG-LIRRHRJNSA-N 1 0 405.545 3.948 20 5 HHBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cccc1[N+](=O)[O-] ZINC000551817994 1011975042 /nfs/dbraw/zinc/97/50/42/1011975042.db2.gz OJWOYIOEZFHVIA-CMJOXMDJSA-N 1 0 422.485 3.979 20 5 HHBDRO CC(C)COc1ccc(C(C)(C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000541323099 1012034011 /nfs/dbraw/zinc/03/40/11/1012034011.db2.gz DIGRMLIETCJNCO-UHFFFAOYSA-N 1 0 420.531 3.928 20 5 HHBDRO Cn1ccnc1[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000552046367 1012065710 /nfs/dbraw/zinc/06/57/10/1012065710.db2.gz FYNLJURWZMKTCS-NFBKMPQASA-N 1 0 419.529 3.572 20 5 HHBDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000536846302 1012076136 /nfs/dbraw/zinc/07/61/36/1012076136.db2.gz QHHXIEDURHNFSH-LLGFUMIMSA-N 1 0 406.486 3.694 20 5 HHBDRO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)[NH+]2CCCC2)o1 ZINC000523549171 1012084789 /nfs/dbraw/zinc/08/47/89/1012084789.db2.gz BNQNEXXJXMQESL-INIZCTEOSA-N 1 0 422.279 3.826 20 5 HHBDRO COc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000552076606 1012093691 /nfs/dbraw/zinc/09/36/91/1012093691.db2.gz ZWNFRMFOAXDTTM-UZLBHIALSA-N 1 0 400.475 3.918 20 5 HHBDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536859976 1012094671 /nfs/dbraw/zinc/09/46/71/1012094671.db2.gz XTCQATCNOLPBCC-XJKSGUPXSA-N 1 0 411.487 3.513 20 5 HHBDRO C[NH+](C)CCOc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000541397270 1012122636 /nfs/dbraw/zinc/12/26/36/1012122636.db2.gz YRTZDWWDJJGYDR-UHFFFAOYSA-N 1 0 409.895 3.919 20 5 HHBDRO O=C([C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000552122812 1012140451 /nfs/dbraw/zinc/14/04/51/1012140451.db2.gz OPQPDJGZDUSEHI-LJQANCHMSA-N 1 0 415.440 3.637 20 5 HHBDRO CCc1ccc([C@H](NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549929 1012337463 /nfs/dbraw/zinc/33/74/63/1012337463.db2.gz LMHZCGSHUZCJAE-HYFFOGBASA-N 1 0 401.507 3.929 20 5 HHBDRO CC1CCC([NH+]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)CC1 ZINC000523724311 1012337585 /nfs/dbraw/zinc/33/75/85/1012337585.db2.gz WVEDRHZULMPKFM-UHFFFAOYSA-N 1 0 400.523 3.532 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000537052546 1012380243 /nfs/dbraw/zinc/38/02/43/1012380243.db2.gz JRAKZYLVNKGXCA-OAHLLOKOSA-N 1 0 410.474 3.931 20 5 HHBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000541602660 1012400980 /nfs/dbraw/zinc/40/09/80/1012400980.db2.gz FXMYBRCZZQIFHR-JQWIXIFHSA-N 1 0 413.400 3.648 20 5 HHBDRO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000537078323 1012425679 /nfs/dbraw/zinc/42/56/79/1012425679.db2.gz AKSSLUMLOILZEP-OAHLLOKOSA-N 1 0 407.474 3.995 20 5 HHBDRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000537088822 1012446589 /nfs/dbraw/zinc/44/65/89/1012446589.db2.gz ZIQUZCITGIWJNG-LBPRGKRZSA-N 1 0 407.854 3.863 20 5 HHBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000537175539 1012582162 /nfs/dbraw/zinc/58/21/62/1012582162.db2.gz ORJFYHLVKRXIKK-INIZCTEOSA-N 1 0 410.474 3.709 20 5 HHBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000523887344 1012589739 /nfs/dbraw/zinc/58/97/39/1012589739.db2.gz FJQNQCOXEDPPDJ-INIZCTEOSA-N 1 0 407.854 3.563 20 5 HHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000541783347 1012652958 /nfs/dbraw/zinc/65/29/58/1012652958.db2.gz FGVHBYMQMZOVNT-UHFFFAOYSA-N 1 0 420.416 3.538 20 5 HHBDRO Cn1cc(C[NH2+]CCOc2ncccc2C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537322783 1012780182 /nfs/dbraw/zinc/78/01/82/1012780182.db2.gz IJTGJAQYMZWUKQ-UHFFFAOYSA-N 1 0 421.379 3.578 20 5 HHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000537327266 1012784307 /nfs/dbraw/zinc/78/43/07/1012784307.db2.gz MMJFFHNVIDJQAA-QUCCMNQESA-N 1 0 411.502 3.699 20 5 HHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541927153 1012787238 /nfs/dbraw/zinc/78/72/38/1012787238.db2.gz BOLAFRALWXIHDB-PBHICJAKSA-N 1 0 419.428 3.837 20 5 HHBDRO Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)n1 ZINC000541935222 1012796336 /nfs/dbraw/zinc/79/63/36/1012796336.db2.gz PIRNNUZSUUNIOW-UHFFFAOYSA-N 1 0 414.506 3.708 20 5 HHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 ZINC000524049712 1012801004 /nfs/dbraw/zinc/80/10/04/1012801004.db2.gz NJHGCNMDRBEGNP-OAHLLOKOSA-N 1 0 411.458 3.993 20 5 HHBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541944941 1012805587 /nfs/dbraw/zinc/80/55/87/1012805587.db2.gz MIVLBRVPSXGGMQ-INIZCTEOSA-N 1 0 419.428 3.790 20 5 HHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541952636 1012814379 /nfs/dbraw/zinc/81/43/79/1012814379.db2.gz TUVQZOXDRFDJJD-KRWDZBQOSA-N 1 0 411.380 3.574 20 5 HHBDRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000524122156 1012899951 /nfs/dbraw/zinc/89/99/51/1012899951.db2.gz FWUJHBHLCGUBNL-HKUYNNGSSA-N 1 0 417.531 3.577 20 5 HHBDRO CC1CC[NH+]([C@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)c2cccs2)CC1 ZINC000552911122 1012911393 /nfs/dbraw/zinc/91/13/93/1012911393.db2.gz LRWZAEXMOSDKKF-QGZVFWFLSA-N 1 0 413.503 4.190 20 5 HHBDRO CC[NH+](CC)CCOc1ccccc1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000552934867 1012929502 /nfs/dbraw/zinc/92/95/02/1012929502.db2.gz QVDVWTKUQJSOHO-UHFFFAOYSA-N 1 0 401.492 3.932 20 5 HHBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000552934839 1012929754 /nfs/dbraw/zinc/92/97/54/1012929754.db2.gz QEVYFHDEVQFLBO-OAHLLOKOSA-N 1 0 407.474 4.088 20 5 HHBDRO CC[C@H](C)[N@H+](C)CCn1c(C2CCC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001545670449 1072006901 /nfs/dbraw/zinc/00/69/01/1072006901.db2.gz QOBHDSRXFJNSFV-INIZCTEOSA-N 1 0 412.538 3.747 20 5 HHBDRO COc1cc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000570885241 1072401283 /nfs/dbraw/zinc/40/12/83/1072401283.db2.gz ABDBRBMFFNITHK-GOSISDBHSA-N 1 0 422.485 3.905 20 5 HHBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000586827683 1072467291 /nfs/dbraw/zinc/46/72/91/1072467291.db2.gz YSTGXIYFOUPTBI-HLNWXESRSA-N 1 0 414.550 3.776 20 5 HHBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000555229414 1073275326 /nfs/dbraw/zinc/27/53/26/1073275326.db2.gz IJXZOXRUKYTDEC-IBGZPJMESA-N 1 0 411.502 3.944 20 5 HHBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000588880577 1073326555 /nfs/dbraw/zinc/32/65/55/1073326555.db2.gz AAKYWZLICZMFJD-UHFFFAOYSA-N 1 0 422.938 3.716 20 5 HHBDRO CCOC(=O)C1CCC([N@H+](CC)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000555348823 1073358603 /nfs/dbraw/zinc/35/86/03/1073358603.db2.gz JLYQAKMLTVYWOI-UHFFFAOYSA-N 1 0 414.506 3.939 20 5 HHBDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000590052750 1073528477 /nfs/dbraw/zinc/52/84/77/1073528477.db2.gz KKIVBDRFAPJDHQ-AVRDEDQJSA-N 1 0 403.486 3.583 20 5 HHBDRO O=[N+]([O-])c1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000590192686 1073637507 /nfs/dbraw/zinc/63/75/07/1073637507.db2.gz YUOKLVKUTWVJCX-FQEVSTJZSA-N 1 0 413.493 3.752 20 5 HHBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000590345057 1073750060 /nfs/dbraw/zinc/75/00/60/1073750060.db2.gz KLHLLWYIWZDTLD-SJLPKXTDSA-N 1 0 411.506 3.719 20 5 HHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000574202677 1075174391 /nfs/dbraw/zinc/17/43/91/1075174391.db2.gz KKEUPUJZISKVKM-HNAYVOBHSA-N 1 0 405.458 3.843 20 5 HHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000574202679 1075174405 /nfs/dbraw/zinc/17/44/05/1075174405.db2.gz KKEUPUJZISKVKM-KXBFYZLASA-N 1 0 405.458 3.843 20 5 HHBDRO C[C@H]1[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000574665918 1075300798 /nfs/dbraw/zinc/30/07/98/1075300798.db2.gz OQEYWPNVINBYJN-UWJYYQICSA-N 1 0 408.502 3.932 20 5 HHBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164621843 719059820 /nfs/dbraw/zinc/05/98/20/719059820.db2.gz HXXZVUDOAIMSCE-LSDHHAIUSA-N 1 0 419.938 3.861 20 5 HHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)CC[C@@H]21 ZINC001164836262 720534359 /nfs/dbraw/zinc/53/43/59/720534359.db2.gz JITMVYJFMZBBKG-WFXMLNOXSA-N 1 0 420.517 3.717 20 5 HHBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839278 720539580 /nfs/dbraw/zinc/53/95/80/720539580.db2.gz PSRBYTSVSROREH-BBTUJRGHSA-N 1 0 420.517 3.717 20 5 HHBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc([N+](=O)[O-])cc(Cl)n1)CC2 ZINC001164839953 720660145 /nfs/dbraw/zinc/66/01/45/720660145.db2.gz LFUBXTUDMIPQBP-SFHVURJKSA-N 1 0 416.909 3.903 20 5 HHBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])[C@@H]2C ZINC001164863206 720940835 /nfs/dbraw/zinc/94/08/35/720940835.db2.gz YVKPGLXZBTTXIJ-LLVKDONJSA-N 1 0 413.309 3.915 20 5 HHBDRO Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164901285 721522390 /nfs/dbraw/zinc/52/23/90/721522390.db2.gz WIQOFAWFOICVAO-QUCCMNQESA-N 1 0 422.460 3.932 20 5 HHBDRO O=[N+]([O-])c1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164901806 721584143 /nfs/dbraw/zinc/58/41/43/721584143.db2.gz ASFFIJZYCSMTJE-GOSISDBHSA-N 1 0 423.851 3.776 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@@H]21 ZINC001165018593 721800263 /nfs/dbraw/zinc/80/02/63/721800263.db2.gz BKWXWNSLGGQHGP-JCGIZDLHSA-N 1 0 401.898 3.775 20 5 HHBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC001165028101 721810044 /nfs/dbraw/zinc/81/00/44/721810044.db2.gz WCVXULWOXDTJJZ-QGCDCVKKSA-N 1 0 418.501 3.670 20 5 HHBDRO